NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406971 |
1xyk   |
6378 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyk
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 1342
_Distance_constraint_stats_list.Viol_count 3822
_Distance_constraint_stats_list.Viol_total 6313.048
_Distance_constraint_stats_list.Viol_max 0.792
_Distance_constraint_stats_list.Viol_rms 0.0409
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0826
_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 1 VAL 1.451 0.116 10 0 "[ . 1 . 2]"
1 2 VAL 4.781 0.138 15 0 "[ . 1 . 2]"
1 3 GLY 3.219 0.138 15 0 "[ . 1 . 2]"
1 4 GLY 1.307 0.084 17 0 "[ . 1 . 2]"
1 5 LEU 4.183 0.481 11 0 "[ . 1 . 2]"
1 6 GLY 9.146 0.481 11 0 "[ . 1 . 2]"
1 7 GLY 6.412 0.421 3 0 "[ . 1 . 2]"
1 8 TYR 6.178 0.141 12 0 "[ . 1 . 2]"
1 9 MET 3.268 0.106 15 0 "[ . 1 . 2]"
1 10 LEU 2.472 0.103 20 0 "[ . 1 . 2]"
1 11 GLY 2.018 0.402 5 0 "[ . 1 . 2]"
1 12 SER 6.845 0.492 19 0 "[ . 1 . 2]"
1 13 ALA 6.415 0.122 15 0 "[ . 1 . 2]"
1 14 MET 9.605 0.148 3 0 "[ . 1 . 2]"
1 15 SER 3.746 0.198 17 0 "[ . 1 . 2]"
1 16 ARG 3.593 0.198 17 0 "[ . 1 . 2]"
1 17 PRO 0.450 0.086 15 0 "[ . 1 . 2]"
1 18 LEU 4.918 0.138 10 0 "[ . 1 . 2]"
1 19 ILE 9.029 0.568 5 1 "[ + 1 . 2]"
1 20 HIS 3.754 0.347 18 0 "[ . 1 . 2]"
1 21 PHE 5.991 0.595 15 1 "[ . 1 + 2]"
1 22 GLY 1.105 0.339 15 0 "[ . 1 . 2]"
1 23 ASN 5.384 0.210 15 0 "[ . 1 . 2]"
1 24 ASP 2.008 0.095 18 0 "[ . 1 . 2]"
1 25 TYR 4.825 0.146 11 0 "[ . 1 . 2]"
1 26 GLU 5.006 0.098 5 0 "[ . 1 . 2]"
1 27 ASP 2.374 0.109 16 0 "[ . 1 . 2]"
1 28 ARG 4.577 0.091 17 0 "[ . 1 . 2]"
1 29 TYR 4.824 0.110 10 0 "[ . 1 . 2]"
1 30 TYR 2.134 0.142 16 0 "[ . 1 . 2]"
1 31 ARG 2.983 0.114 10 0 "[ . 1 . 2]"
1 32 GLU 2.185 0.091 17 0 "[ . 1 . 2]"
1 33 ASN 2.258 0.784 1 1 "[+ . 1 . 2]"
1 34 MET 7.439 0.661 19 3 "[ .- 1 * . +2]"
1 35 TYR 5.172 0.661 19 3 "[ .- 1 * . +2]"
1 36 ARG 3.130 0.784 1 1 "[+ . 1 . 2]"
1 37 TYR 4.033 0.329 8 0 "[ . 1 . 2]"
1 38 PRO 5.993 0.248 19 0 "[ . 1 . 2]"
1 39 ASP 3.797 0.433 4 0 "[ . 1 . 2]"
1 40 GLN 9.579 0.106 15 0 "[ . 1 . 2]"
1 41 VAL 8.517 0.148 3 0 "[ . 1 . 2]"
1 42 TYR 3.565 0.131 8 0 "[ . 1 . 2]"
1 43 TYR 2.828 0.377 18 0 "[ . 1 . 2]"
1 44 ARG 5.918 0.786 19 3 "[- . 1 . +*]"
1 45 PRO 1.865 0.381 18 0 "[ . 1 . 2]"
1 46 VAL 3.442 0.133 18 0 "[ . 1 . 2]"
1 47 ASP 2.010 0.122 1 0 "[ . 1 . 2]"
1 49 TYR 1.517 0.257 13 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 1.896 0.257 13 0 "[ . 1 . 2]"
1 53 ASN 5.634 0.181 7 0 "[ . 1 . 2]"
1 54 ASN 7.940 0.319 1 0 "[ . 1 . 2]"
1 55 PHE 1.831 0.111 1 0 "[ . 1 . 2]"
1 56 VAL 1.826 0.359 3 0 "[ . 1 . 2]"
1 57 ARG 1.902 0.104 16 0 "[ . 1 . 2]"
1 58 ASP 0.432 0.349 17 0 "[ . 1 . 2]"
1 59 CYS 0.052 0.052 3 0 "[ . 1 . 2]"
1 60 VAL 5.224 0.127 7 0 "[ . 1 . 2]"
1 61 ASN 1.769 0.082 10 0 "[ . 1 . 2]"
1 62 ILE 10.796 0.164 9 0 "[ . 1 . 2]"
1 63 THR 3.984 0.109 17 0 "[ . 1 . 2]"
1 64 VAL 2.063 0.115 10 0 "[ . 1 . 2]"
1 65 LYS 4.878 0.389 14 0 "[ . 1 . 2]"
1 66 GLN 5.431 0.378 7 0 "[ . 1 . 2]"
1 67 HIS 2.347 0.097 6 0 "[ . 1 . 2]"
1 68 THR 6.020 0.113 10 0 "[ . 1 . 2]"
1 69 VAL 8.108 0.115 9 0 "[ . 1 . 2]"
1 70 THR 6.126 0.150 16 0 "[ . 1 . 2]"
1 71 THR 11.798 0.779 15 2 "[ . 1 - + 2]"
1 72 THR 7.401 0.128 12 0 "[ . 1 . 2]"
1 73 THR 5.539 0.102 4 0 "[ . 1 . 2]"
1 74 LYS 7.346 0.102 4 0 "[ . 1 . 2]"
1 75 GLY 1.497 0.095 1 0 "[ . 1 . 2]"
1 76 GLU 9.821 0.779 15 2 "[ . 1 - + 2]"
1 77 ASN 12.712 0.741 16 6 "[* *. 1 .+*- *]"
1 78 PHE 6.158 0.741 16 1 "[ . 1 .+ 2]"
1 79 THR 5.720 0.340 17 0 "[ . 1 . 2]"
1 80 GLU 12.218 0.549 5 4 "[ * + 1 . - *2]"
1 81 THR 5.438 0.467 8 0 "[ . 1 . 2]"
1 82 ASP 0.594 0.093 19 0 "[ . 1 . 2]"
1 83 MET 10.770 0.527 19 3 "[ * . 1 . - +2]"
1 84 LYS 3.393 0.095 3 0 "[ . 1 . 2]"
1 85 ILE 4.846 0.142 16 0 "[ . 1 . 2]"
1 86 MET 4.296 0.144 17 0 "[ . 1 . 2]"
1 87 GLU 6.348 0.297 3 0 "[ . 1 . 2]"
1 88 ARG 7.972 0.595 15 2 "[ - 1 + 2]"
1 89 VAL 8.593 0.146 10 0 "[ . 1 . 2]"
1 90 VAL 5.697 0.117 17 0 "[ . 1 . 2]"
1 91 GLU 5.580 0.359 3 0 "[ . 1 . 2]"
1 92 GLN 8.349 0.115 17 0 "[ . 1 . 2]"
1 93 MET 10.556 0.433 4 0 "[ . 1 . 2]"
1 94 CYS 1.710 0.090 11 0 "[ . 1 . 2]"
1 95 VAL 4.910 0.185 14 0 "[ . 1 . 2]"
1 96 THR 5.572 0.132 11 0 "[ . 1 . 2]"
1 97 GLN 7.973 0.629 1 2 "[+ . 1 - . 2]"
1 98 TYR 6.485 0.143 3 0 "[ . 1 . 2]"
1 99 GLN 4.490 0.286 3 0 "[ . 1 . 2]"
1 100 LYS 6.172 0.375 5 0 "[ . 1 . 2]"
1 101 GLU 9.904 0.629 1 2 "[+ . 1 - . 2]"
1 102 SER 2.665 0.365 19 0 "[ . 1 . 2]"
1 103 GLU 2.692 0.263 4 0 "[ . 1 . 2]"
1 104 ALA 0.619 0.092 5 0 "[ . 1 . 2]"
1 105 TYR 4.486 0.274 5 0 "[ . 1 . 2]"
1 106 TYR 6.930 0.113 19 0 "[ . 1 . 2]"
1 107 GLN 4.105 0.116 12 0 "[ . 1 . 2]"
1 108 ARG 9.747 0.792 14 5 "[ * *. ** 1 +. 2]"
1 109 GLY 2.201 0.513 14 1 "[ . 1 +. 2]"
1 110 ALA 1.047 0.084 17 0 "[ . 1 . 2]"
1 111 SER 1.311 0.114 2 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 1 VAL H1 1 1 VAL HB . . 3.210 2.991 2.342 3.300 0.090 16 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL MG1 . . 3.220 2.333 1.825 3.274 0.054 5 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 1 VAL HB . . 2.500 2.429 2.339 2.512 0.012 18 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL MG1 . . 3.370 3.280 3.250 3.301 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 1 VAL MG2 . . 3.180 2.339 2.211 2.479 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 2 VAL H . . 2.570 2.280 2.174 2.518 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL MG2 1 2 VAL H . . 3.640 2.857 2.048 3.747 0.107 5 0 "[ . 1 . 2]" 1
8 1 1 VAL MG2 1 3 GLY H . . 4.450 3.959 3.072 4.566 0.116 10 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 2 VAL HB . . 3.380 3.290 2.411 3.468 0.088 13 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 2 VAL MG1 . . 3.200 2.608 2.128 3.271 0.071 11 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 3 GLY H . . 3.600 3.534 2.998 3.685 0.085 12 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 3 GLY QA . . 4.900 4.192 3.796 5.001 0.101 10 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 2 VAL HB . . 2.470 2.384 2.262 2.531 0.061 7 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 2 VAL MG2 . . 3.030 2.339 2.178 2.505 . 0 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 3 GLY H . . 2.600 2.210 2.071 2.386 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL HA 1 4 GLY H . . 4.690 4.290 3.685 4.763 0.073 12 0 "[ . 1 . 2]" 1
17 1 2 VAL HB 1 3 GLY H . . 4.730 4.447 4.367 4.542 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL MG2 1 3 GLY H . . 3.700 3.459 2.990 3.806 0.106 15 0 "[ . 1 . 2]" 1
19 1 2 VAL MG2 1 3 GLY QA . . 3.730 3.758 3.559 3.868 0.138 15 0 "[ . 1 . 2]" 1
20 1 2 VAL MG2 1 4 GLY H . . 4.790 4.359 2.983 4.874 0.084 17 0 "[ . 1 . 2]" 1
21 1 3 GLY H 1 3 GLY QA . . 2.650 2.444 2.211 2.531 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLY H 1 4 GLY H . . 3.400 2.638 1.808 3.461 0.061 3 0 "[ . 1 . 2]" 1
23 1 4 GLY H 1 4 GLY QA . . 2.500 2.363 2.208 2.532 0.032 1 0 "[ . 1 . 2]" 1
24 1 4 GLY H 1 5 LEU HG . . 4.430 4.213 2.706 4.512 0.082 2 0 "[ . 1 . 2]" 1
25 1 4 GLY QA 1 5 LEU H . . 2.910 2.502 2.157 2.903 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLY QA 1 5 LEU QB . . 4.430 4.113 3.670 4.341 . 0 0 "[ . 1 . 2]" 1
27 1 5 LEU H 1 5 LEU QB . . 2.850 2.477 1.965 2.867 0.017 20 0 "[ . 1 . 2]" 1
28 1 5 LEU H 1 5 LEU QD . . 4.320 3.554 3.119 3.821 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 5 LEU HG . . 3.700 3.242 2.545 3.764 0.064 15 0 "[ . 1 . 2]" 1
30 1 5 LEU HA 1 5 LEU QD . . 3.030 2.475 2.032 3.030 0.000 15 0 "[ . 1 . 2]" 1
31 1 5 LEU HA 1 5 LEU HG . . 4.110 3.341 2.252 3.880 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU HA 1 6 GLY H . . 2.940 2.458 1.907 2.994 0.054 11 0 "[ . 1 . 2]" 1
33 1 5 LEU HA 1 6 GLY HA3 . . 4.270 4.422 4.165 4.751 0.481 11 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 7 GLY H . . 5.060 4.459 3.626 5.146 0.086 2 0 "[ . 1 . 2]" 1
35 1 5 LEU QB 1 6 GLY H . . 4.070 2.430 1.911 3.205 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU QB 1 6 GLY HA2 . . 5.030 4.589 4.330 5.043 0.013 16 0 "[ . 1 . 2]" 1
37 1 5 LEU QD 1 6 GLY H . . 5.260 2.756 1.878 3.516 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU QD 1 66 GLN HE21 . . 4.890 3.105 2.480 4.234 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU QD 1 66 GLN HE22 . . 4.330 2.906 1.814 4.334 0.004 3 0 "[ . 1 . 2]" 1
40 1 5 LEU QD 1 66 GLN HG3 . . 4.640 3.835 2.164 4.557 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLY H 1 6 GLY HA2 . . 2.790 2.840 2.570 2.962 0.172 19 0 "[ . 1 . 2]" 1
42 1 6 GLY H 1 7 GLY H . . 3.250 2.703 1.801 3.311 0.061 2 0 "[ . 1 . 2]" 1
43 1 6 GLY H 1 8 TYR H . . 5.180 4.259 3.562 5.259 0.079 3 0 "[ . 1 . 2]" 1
44 1 6 GLY H 1 66 GLN HA . . 5.500 4.947 3.504 5.572 0.072 10 0 "[ . 1 . 2]" 1
45 1 6 GLY H 1 66 GLN HB3 . . 5.160 4.741 3.967 5.234 0.074 11 0 "[ . 1 . 2]" 1
46 1 6 GLY H 1 66 GLN HE21 . . 5.110 4.857 4.325 5.190 0.080 7 0 "[ . 1 . 2]" 1
47 1 6 GLY HA2 1 7 GLY H . . 3.230 3.247 2.172 3.651 0.421 3 0 "[ . 1 . 2]" 1
48 1 7 GLY H 1 7 GLY HA3 . . 2.810 2.886 2.383 3.001 0.191 13 0 "[ . 1 . 2]" 1
49 1 7 GLY H 1 8 TYR H . . 3.360 2.517 1.799 3.422 0.062 18 0 "[ . 1 . 2]" 1
50 1 7 GLY H 1 8 TYR HB2 . . 5.210 4.129 3.154 4.693 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLY H 1 8 TYR QD . . 4.840 4.689 3.546 4.932 0.092 20 0 "[ . 1 . 2]" 1
52 1 7 GLY HA3 1 8 TYR H . . 3.590 3.057 2.262 3.559 . 0 0 "[ . 1 . 2]" 1
53 1 8 TYR H 1 8 TYR HB2 . . 3.240 2.347 2.106 2.821 . 0 0 "[ . 1 . 2]" 1
54 1 8 TYR H 1 8 TYR HB3 . . 3.730 3.544 3.353 3.822 0.092 18 0 "[ . 1 . 2]" 1
55 1 8 TYR H 1 8 TYR QD . . 3.420 2.820 2.301 3.124 . 0 0 "[ . 1 . 2]" 1
56 1 8 TYR H 1 8 TYR QE . . 5.220 5.099 4.624 5.304 0.084 1 0 "[ . 1 . 2]" 1
57 1 8 TYR H 1 9 MET H . . 5.070 4.607 4.412 4.731 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR H 1 62 ILE MG . . 5.500 4.449 3.486 5.130 . 0 0 "[ . 1 . 2]" 1
59 1 8 TYR HA 1 8 TYR QD . . 3.390 2.759 2.204 3.174 . 0 0 "[ . 1 . 2]" 1
60 1 8 TYR HA 1 9 MET H . . 2.990 2.613 2.375 3.072 0.082 3 0 "[ . 1 . 2]" 1
61 1 8 TYR HA 1 9 MET QG . . 4.400 3.805 3.444 4.248 . 0 0 "[ . 1 . 2]" 1
62 1 8 TYR HB2 1 9 MET H . . 4.260 3.785 3.372 4.105 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR HB2 1 62 ILE MG . . 4.200 2.943 2.271 3.450 . 0 0 "[ . 1 . 2]" 1
64 1 8 TYR HB2 1 66 GLN HE22 . . 3.960 3.059 2.200 3.493 . 0 0 "[ . 1 . 2]" 1
65 1 8 TYR HB3 1 9 MET H . . 3.920 2.354 1.812 2.792 . 0 0 "[ . 1 . 2]" 1
66 1 8 TYR HB3 1 43 TYR H . . 4.780 3.380 2.915 4.235 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HB3 1 66 GLN HE22 . . 4.070 3.932 3.148 4.146 0.076 1 0 "[ . 1 . 2]" 1
68 1 8 TYR QD 1 9 MET H . . 4.910 3.557 2.664 4.011 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR QD 1 43 TYR H . . 4.510 3.442 3.070 4.018 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR QD 1 43 TYR HA . . 3.850 2.608 2.191 3.172 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR QD 1 62 ILE HB . . 3.970 3.904 3.275 4.064 0.094 15 0 "[ . 1 . 2]" 1
72 1 8 TYR QD 1 62 ILE MD . . 4.390 4.405 3.728 4.531 0.141 12 0 "[ . 1 . 2]" 1
73 1 8 TYR QD 1 62 ILE MG . . 3.830 2.651 2.215 2.912 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR QE 1 43 TYR HA . . 3.910 3.131 2.180 3.995 0.085 8 0 "[ . 1 . 2]" 1
75 1 8 TYR QE 1 62 ILE HB . . 3.830 3.752 3.430 3.931 0.101 17 0 "[ . 1 . 2]" 1
76 1 8 TYR QE 1 62 ILE MD . . 3.790 3.396 2.344 3.831 0.041 19 0 "[ . 1 . 2]" 1
77 1 8 TYR QE 1 62 ILE MG . . 3.620 3.131 2.707 3.675 0.055 13 0 "[ . 1 . 2]" 1
78 1 9 MET H 1 9 MET QB . . 3.720 2.510 2.215 3.231 . 0 0 "[ . 1 . 2]" 1
79 1 9 MET H 1 9 MET ME . . 4.360 3.926 3.532 4.443 0.083 3 0 "[ . 1 . 2]" 1
80 1 9 MET H 1 9 MET QG . . 3.430 2.526 2.153 3.116 . 0 0 "[ . 1 . 2]" 1
81 1 9 MET H 1 42 TYR HA . . 5.500 4.361 3.760 4.732 . 0 0 "[ . 1 . 2]" 1
82 1 9 MET H 1 43 TYR H . . 3.910 3.024 2.766 3.312 . 0 0 "[ . 1 . 2]" 1
83 1 9 MET H 1 43 TYR HA . . 5.090 4.558 4.343 5.121 0.031 14 0 "[ . 1 . 2]" 1
84 1 9 MET HA 1 9 MET QG . . 3.210 2.466 2.199 3.296 0.086 14 0 "[ . 1 . 2]" 1
85 1 9 MET HA 1 10 LEU H . . 2.830 2.593 2.425 2.764 . 0 0 "[ . 1 . 2]" 1
86 1 9 MET QB 1 10 LEU H . . 3.450 2.216 1.876 2.434 . 0 0 "[ . 1 . 2]" 1
87 1 9 MET QB 1 43 TYR H . . 5.230 2.867 2.346 4.460 . 0 0 "[ . 1 . 2]" 1
88 1 9 MET QB 1 43 TYR QE . . 4.060 3.556 2.949 4.037 . 0 0 "[ . 1 . 2]" 1
89 1 9 MET ME 1 10 LEU H . . 4.260 4.254 3.785 4.363 0.103 20 0 "[ . 1 . 2]" 1
90 1 9 MET ME 1 43 TYR HB2 . . 4.040 4.058 3.799 4.146 0.106 15 0 "[ . 1 . 2]" 1
91 1 9 MET ME 1 43 TYR QE . . 4.080 2.473 2.006 3.042 . 0 0 "[ . 1 . 2]" 1
92 1 9 MET ME 1 44 ARG QD . . 4.750 4.383 3.931 4.645 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET ME 1 45 PRO HA . . 3.650 3.401 2.556 3.749 0.099 16 0 "[ . 1 . 2]" 1
94 1 9 MET ME 1 45 PRO HD2 . . 4.650 3.737 3.335 4.559 . 0 0 "[ . 1 . 2]" 1
95 1 9 MET ME 1 45 PRO HD3 . . 4.140 2.516 2.055 3.296 . 0 0 "[ . 1 . 2]" 1
96 1 9 MET QG 1 10 LEU H . . 4.670 3.908 3.521 4.179 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU H 1 10 LEU HB2 . . 3.300 3.135 2.739 3.347 0.047 5 0 "[ . 1 . 2]" 1
98 1 10 LEU H 1 10 LEU HB3 . . 3.080 2.548 2.397 2.672 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU H 1 10 LEU QD . . 4.270 3.746 3.604 3.922 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU HA 1 10 LEU QD . . 3.110 2.242 2.129 2.328 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU HA 1 10 LEU HG . . 4.250 3.500 2.869 3.796 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU HA 1 11 GLY H . . 3.100 2.166 2.061 2.297 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU HA 1 42 TYR HA . . 3.920 2.783 2.366 3.162 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU HA 1 43 TYR H . . 4.370 4.134 3.718 4.441 0.071 10 0 "[ . 1 . 2]" 1
105 1 10 LEU HB2 1 10 LEU QD . . 3.110 2.365 2.085 2.591 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU HB3 1 10 LEU QD . . 3.080 2.192 2.143 2.287 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU QD 1 11 GLY H . . 3.570 2.413 1.993 3.163 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU QD 1 40 GLN HB2 . . 3.800 2.551 2.113 3.474 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU QD 1 40 GLN HB3 . . 4.040 2.620 2.117 3.881 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU QD 1 40 GLN HE21 . . 3.940 2.499 2.153 3.717 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU QD 1 40 GLN HE22 . . 3.790 2.224 1.797 3.250 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU QD 1 40 GLN HG3 . . 4.900 3.930 3.530 4.663 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU QD 1 41 VAL H . . 5.240 3.597 3.098 4.307 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU QD 1 42 TYR HA . . 4.190 3.867 3.075 4.174 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU QD 1 42 TYR QD . . 4.660 2.865 2.194 3.704 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU QD 1 42 TYR QE . . 3.600 2.482 2.037 3.653 0.053 16 0 "[ . 1 . 2]" 1
117 1 10 LEU HG 1 11 GLY H . . 4.920 4.228 2.420 4.976 0.056 8 0 "[ . 1 . 2]" 1
118 1 10 LEU HG 1 40 GLN HE21 . . 4.510 4.016 2.649 4.588 0.078 13 0 "[ . 1 . 2]" 1
119 1 10 LEU HG 1 40 GLN HE22 . . 4.440 3.814 2.564 4.383 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLY H 1 12 SER H . . 4.660 4.569 4.473 4.650 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLY H 1 40 GLN HB2 . . 5.500 4.646 4.161 5.286 . 0 0 "[ . 1 . 2]" 1
122 1 11 GLY H 1 41 VAL H . . 4.720 3.239 2.914 3.543 . 0 0 "[ . 1 . 2]" 1
123 1 11 GLY H 1 41 VAL MG2 . . 4.680 4.093 3.772 4.380 . 0 0 "[ . 1 . 2]" 1
124 1 11 GLY H 1 42 TYR HA . . 4.790 3.254 2.793 3.708 . 0 0 "[ . 1 . 2]" 1
125 1 11 GLY H 1 43 TYR QD . . 4.910 3.800 2.939 4.805 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLY H 1 43 TYR QE . . 4.250 3.609 2.850 4.337 0.087 10 0 "[ . 1 . 2]" 1
127 1 11 GLY HA2 1 12 SER H . . 3.380 2.496 2.200 2.660 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLY HA2 1 41 VAL H . . 4.980 4.880 4.592 5.061 0.081 10 0 "[ . 1 . 2]" 1
129 1 11 GLY HA2 1 43 TYR QE . . 3.750 2.506 2.065 3.456 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLY HA3 1 12 SER H . . 3.510 2.711 2.496 3.003 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLY HA3 1 41 VAL H . . 4.830 3.228 2.921 3.506 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLY HA3 1 43 TYR QE . . 3.370 2.941 2.127 3.747 0.377 18 0 "[ . 1 . 2]" 1
133 1 11 GLY HA3 1 97 GLN HE21 . . 4.970 4.523 3.544 5.372 0.402 5 0 "[ . 1 . 2]" 1
134 1 11 GLY HA3 1 97 GLN HG2 . . 4.200 3.295 2.423 4.259 0.059 4 0 "[ . 1 . 2]" 1
135 1 12 SER H 1 12 SER HB2 . . 3.310 3.129 2.566 3.404 0.094 10 0 "[ . 1 . 2]" 1
136 1 12 SER H 1 12 SER HB3 . . 3.350 3.245 2.934 3.423 0.073 9 0 "[ . 1 . 2]" 1
137 1 12 SER H 1 41 VAL H . . 5.080 5.106 4.952 5.167 0.087 20 0 "[ . 1 . 2]" 1
138 1 12 SER H 1 43 TYR QE . . 4.640 4.411 3.512 4.742 0.102 10 0 "[ . 1 . 2]" 1
139 1 12 SER H 1 97 GLN HE21 . . 4.550 4.008 3.046 5.042 0.492 19 0 "[ . 1 . 2]" 1
140 1 12 SER H 1 97 GLN HE22 . . 5.330 4.004 2.482 5.408 0.078 10 0 "[ . 1 . 2]" 1
141 1 12 SER HA 1 12 SER HB3 . . 3.030 2.273 2.222 2.366 . 0 0 "[ . 1 . 2]" 1
142 1 12 SER HA 1 13 ALA H . . 2.580 2.359 2.194 2.611 0.031 12 0 "[ . 1 . 2]" 1
143 1 12 SER HA 1 13 ALA MB . . 4.100 4.046 3.918 4.180 0.080 4 0 "[ . 1 . 2]" 1
144 1 12 SER HA 1 40 GLN HE21 . . 3.610 3.426 2.912 3.692 0.082 15 0 "[ . 1 . 2]" 1
145 1 12 SER HA 1 40 GLN HE22 . . 4.250 4.146 3.352 4.326 0.076 8 0 "[ . 1 . 2]" 1
146 1 12 SER HB2 1 13 ALA H . . 3.190 2.879 2.234 3.258 0.068 4 0 "[ . 1 . 2]" 1
147 1 12 SER HB2 1 13 ALA MB . . 4.550 4.413 3.920 4.654 0.104 2 0 "[ . 1 . 2]" 1
148 1 12 SER HB3 1 13 ALA H . . 3.180 3.012 2.469 3.269 0.089 20 0 "[ . 1 . 2]" 1
149 1 13 ALA H 1 13 ALA MB . . 2.740 2.268 2.175 2.395 . 0 0 "[ . 1 . 2]" 1
150 1 13 ALA H 1 14 MET H . . 4.520 4.486 4.001 4.593 0.073 1 0 "[ . 1 . 2]" 1
151 1 13 ALA H 1 40 GLN HB3 . . 5.060 5.064 4.875 5.140 0.080 15 0 "[ . 1 . 2]" 1
152 1 13 ALA H 1 40 GLN HE21 . . 4.510 3.897 3.325 4.369 . 0 0 "[ . 1 . 2]" 1
153 1 13 ALA H 1 40 GLN HE22 . . 4.860 4.386 3.703 4.920 0.060 13 0 "[ . 1 . 2]" 1
154 1 13 ALA H 1 40 GLN HG2 . . 4.590 4.160 3.187 4.632 0.042 15 0 "[ . 1 . 2]" 1
155 1 13 ALA HA 1 14 MET H . . 2.780 2.319 2.105 2.589 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA HA 1 40 GLN HB3 . . 3.820 3.860 3.426 3.907 0.087 10 0 "[ . 1 . 2]" 1
157 1 13 ALA HA 1 40 GLN HG2 . . 3.520 2.069 1.999 2.182 . 0 0 "[ . 1 . 2]" 1
158 1 13 ALA HA 1 40 GLN HG3 . . 3.680 3.615 2.726 3.761 0.081 17 0 "[ . 1 . 2]" 1
159 1 13 ALA MB 1 14 MET H . . 3.350 2.812 2.219 3.472 0.122 15 0 "[ . 1 . 2]" 1
160 1 13 ALA MB 1 40 GLN HE21 . . 4.850 3.665 3.067 4.354 . 0 0 "[ . 1 . 2]" 1
161 1 13 ALA MB 1 40 GLN HE22 . . 5.500 3.623 2.732 4.430 . 0 0 "[ . 1 . 2]" 1
162 1 13 ALA MB 1 40 GLN HG2 . . 4.750 2.827 2.258 3.637 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET H 1 14 MET QB . . 3.690 3.090 2.426 3.534 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET H 1 14 MET QG . . 3.680 2.646 2.266 3.253 . 0 0 "[ . 1 . 2]" 1
165 1 14 MET H 1 15 SER H . . 5.220 4.315 4.192 4.506 . 0 0 "[ . 1 . 2]" 1
166 1 14 MET H 1 15 SER HA . . 5.140 4.888 4.489 5.210 0.070 12 0 "[ . 1 . 2]" 1
167 1 14 MET HA 1 15 SER H . . 2.750 2.697 2.361 2.838 0.088 2 0 "[ . 1 . 2]" 1
168 1 14 MET QB 1 14 MET ME . . 3.050 3.060 2.237 3.193 0.143 3 0 "[ . 1 . 2]" 1
169 1 14 MET QB 1 15 SER H . . 3.160 2.057 1.782 2.596 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET QB 1 100 LYS QE . . 2.800 2.333 1.819 2.912 0.112 7 0 "[ . 1 . 2]" 1
171 1 14 MET ME 1 14 MET QG . . 3.010 2.089 1.958 2.220 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET ME 1 15 SER H . . 5.500 5.345 4.663 5.601 0.101 10 0 "[ . 1 . 2]" 1
173 1 14 MET ME 1 40 GLN HA . . 3.840 3.322 2.750 3.941 0.101 13 0 "[ . 1 . 2]" 1
174 1 14 MET ME 1 41 VAL H . . 4.140 4.076 3.688 4.256 0.116 3 0 "[ . 1 . 2]" 1
175 1 14 MET ME 1 41 VAL MG1 . . 3.630 3.622 3.339 3.778 0.148 3 0 "[ . 1 . 2]" 1
176 1 14 MET ME 1 41 VAL MG2 . . 3.550 2.938 2.236 3.580 0.030 3 0 "[ . 1 . 2]" 1
177 1 14 MET ME 1 93 MET HA . . 3.600 2.592 2.190 3.025 . 0 0 "[ . 1 . 2]" 1
178 1 14 MET ME 1 93 MET HG2 . . 3.420 2.800 2.270 3.489 0.069 3 0 "[ . 1 . 2]" 1
179 1 14 MET ME 1 96 THR H . . 4.120 4.117 3.902 4.221 0.101 12 0 "[ . 1 . 2]" 1
180 1 14 MET ME 1 96 THR HB . . 3.340 2.573 2.234 3.087 . 0 0 "[ . 1 . 2]" 1
181 1 14 MET ME 1 96 THR MG . . 3.100 2.766 2.129 3.232 0.132 11 0 "[ . 1 . 2]" 1
182 1 14 MET ME 1 97 GLN H . . 3.280 2.570 2.271 2.883 . 0 0 "[ . 1 . 2]" 1
183 1 14 MET ME 1 97 GLN HA . . 3.550 2.832 2.163 3.586 0.036 4 0 "[ . 1 . 2]" 1
184 1 14 MET ME 1 97 GLN HG2 . . 3.880 3.469 2.190 3.978 0.098 11 0 "[ . 1 . 2]" 1
185 1 14 MET ME 1 100 LYS QD . . 4.220 3.511 2.727 4.306 0.086 4 0 "[ . 1 . 2]" 1
186 1 14 MET ME 1 100 LYS QE . . 4.190 2.929 1.952 3.939 . 0 0 "[ . 1 . 2]" 1
187 1 14 MET QG 1 15 SER H . . 4.660 3.566 2.496 4.044 . 0 0 "[ . 1 . 2]" 1
188 1 14 MET QG 1 100 LYS QE . . 2.720 2.603 1.796 2.781 0.061 14 0 "[ . 1 . 2]" 1
189 1 15 SER H 1 15 SER HB2 . . 3.000 2.755 2.273 3.064 0.064 5 0 "[ . 1 . 2]" 1
190 1 15 SER H 1 15 SER HB3 . . 2.990 2.563 2.252 3.059 0.069 14 0 "[ . 1 . 2]" 1
191 1 15 SER H 1 16 ARG H . . 4.720 4.515 4.342 4.621 . 0 0 "[ . 1 . 2]" 1
192 1 15 SER H 1 100 LYS QE . . 5.500 4.701 3.538 5.578 0.078 13 0 "[ . 1 . 2]" 1
193 1 15 SER HA 1 15 SER HB2 . . 2.980 2.480 2.371 2.846 . 0 0 "[ . 1 . 2]" 1
194 1 15 SER HA 1 16 ARG H . . 2.750 2.262 2.104 2.479 . 0 0 "[ . 1 . 2]" 1
195 1 15 SER HB2 1 16 ARG H . . 3.890 3.974 3.944 4.088 0.198 17 0 "[ . 1 . 2]" 1
196 1 15 SER HB3 1 16 ARG H . . 4.020 3.778 2.823 4.064 0.044 3 0 "[ . 1 . 2]" 1
197 1 16 ARG H 1 16 ARG QB . . 3.540 2.548 1.952 2.853 . 0 0 "[ . 1 . 2]" 1
198 1 16 ARG H 1 16 ARG QD . . 4.930 4.027 3.356 4.599 . 0 0 "[ . 1 . 2]" 1
199 1 16 ARG H 1 16 ARG HE . . 5.410 4.776 3.405 5.375 . 0 0 "[ . 1 . 2]" 1
200 1 16 ARG H 1 16 ARG HG2 . . 3.330 2.987 2.247 3.403 0.073 4 0 "[ . 1 . 2]" 1
201 1 16 ARG H 1 35 TYR HA . . 4.760 4.802 4.525 4.855 0.095 19 0 "[ . 1 . 2]" 1
202 1 16 ARG HA 1 17 PRO HD2 . . 3.450 2.478 2.166 3.067 . 0 0 "[ . 1 . 2]" 1
203 1 16 ARG HA 1 17 PRO HD3 . . 3.220 2.357 1.981 2.823 . 0 0 "[ . 1 . 2]" 1
204 1 16 ARG QD 1 18 LEU QB . . 3.890 3.335 2.392 3.817 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG QD 1 34 MET H . . 5.500 4.803 4.254 5.410 . 0 0 "[ . 1 . 2]" 1
206 1 16 ARG QD 1 34 MET ME . . 4.030 2.258 1.869 3.224 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG QD 1 34 MET HG3 . . 4.480 2.658 1.956 4.435 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG HE 1 18 LEU QB . . 5.500 3.812 2.665 5.388 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG HE 1 34 MET ME . . 3.800 3.298 2.424 3.918 0.118 7 0 "[ . 1 . 2]" 1
210 1 17 PRO HA 1 18 LEU H . . 2.630 2.379 2.064 2.699 0.069 15 0 "[ . 1 . 2]" 1
211 1 17 PRO HA 1 18 LEU QB . . 4.160 3.869 3.720 3.981 . 0 0 "[ . 1 . 2]" 1
212 1 17 PRO HB2 1 18 LEU H . . 3.920 3.055 2.181 3.964 0.044 12 0 "[ . 1 . 2]" 1
213 1 17 PRO HB2 1 19 ILE MD . . 4.330 2.491 2.006 3.810 . 0 0 "[ . 1 . 2]" 1
214 1 17 PRO HB2 1 19 ILE QG . . 4.240 3.773 3.114 4.193 . 0 0 "[ . 1 . 2]" 1
215 1 17 PRO HB3 1 18 LEU H . . 4.220 3.534 2.760 4.236 0.016 12 0 "[ . 1 . 2]" 1
216 1 17 PRO HD2 1 89 VAL MG1 . . 3.650 2.754 2.166 3.339 . 0 0 "[ . 1 . 2]" 1
217 1 17 PRO HD3 1 89 VAL MG1 . . 4.390 3.936 3.179 4.476 0.086 15 0 "[ . 1 . 2]" 1
218 1 17 PRO HG2 1 18 LEU H . . 5.500 4.877 3.616 5.573 0.073 8 0 "[ . 1 . 2]" 1
219 1 17 PRO HG2 1 19 ILE MD . . 4.450 3.383 2.371 4.324 . 0 0 "[ . 1 . 2]" 1
220 1 17 PRO HG2 1 89 VAL MG1 . . 4.220 2.262 2.053 3.364 . 0 0 "[ . 1 . 2]" 1
221 1 17 PRO HG2 1 89 VAL MG2 . . 4.750 4.025 2.785 4.661 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU H 1 18 LEU QB . . 3.250 2.553 2.104 2.844 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU H 1 18 LEU MD1 . . 4.140 3.980 3.432 4.247 0.107 1 0 "[ . 1 . 2]" 1
224 1 18 LEU H 1 18 LEU MD2 . . 4.140 4.236 4.183 4.250 0.110 15 0 "[ . 1 . 2]" 1
225 1 18 LEU H 1 19 ILE H . . 4.680 3.831 3.508 4.257 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU H 1 19 ILE HA . . 5.330 4.487 4.068 5.018 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HA 1 18 LEU MD1 . . 4.050 3.316 2.731 3.655 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HA 1 18 LEU MD2 . . 3.090 2.168 1.949 2.433 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HA 1 19 ILE H . . 2.880 2.139 2.051 2.255 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU HA 1 34 MET ME . . 4.010 3.728 3.018 4.124 0.114 19 0 "[ . 1 . 2]" 1
231 1 18 LEU QB 1 18 LEU MD1 . . 3.160 2.266 2.189 2.346 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU QB 1 18 LEU HG . . 2.720 2.151 2.118 2.191 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU QB 1 19 ILE H . . 4.290 3.933 3.827 4.010 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU MD1 1 19 ILE H . . 4.220 3.514 2.819 4.088 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU MD1 1 19 ILE MD . . 4.650 4.638 4.113 4.788 0.138 10 0 "[ . 1 . 2]" 1
236 1 18 LEU MD1 1 34 MET ME . . 5.040 3.732 2.883 4.229 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU MD2 1 19 ILE H . . 4.010 2.751 2.290 3.266 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD2 1 19 ILE MD . . 4.450 4.130 3.634 4.576 0.126 12 0 "[ . 1 . 2]" 1
239 1 18 LEU MD2 1 34 MET ME . . 3.380 2.317 1.787 3.125 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU HG 1 34 MET ME . . 2.830 2.451 1.979 2.905 0.075 4 0 "[ . 1 . 2]" 1
241 1 19 ILE H 1 19 ILE HB . . 3.170 2.573 2.351 2.981 . 0 0 "[ . 1 . 2]" 1
242 1 19 ILE H 1 19 ILE MD . . 4.050 2.200 1.761 2.864 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE H 1 19 ILE QG . . 3.700 2.890 1.903 3.415 . 0 0 "[ . 1 . 2]" 1
244 1 19 ILE H 1 19 ILE MG . . 3.810 3.820 3.718 3.894 0.084 17 0 "[ . 1 . 2]" 1
245 1 19 ILE H 1 20 HIS H . . 4.970 4.538 4.385 4.650 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE H 1 89 VAL MG1 . . 4.440 4.543 4.495 4.558 0.118 10 0 "[ . 1 . 2]" 1
247 1 19 ILE H 1 89 VAL MG2 . . 3.860 3.303 2.642 3.894 0.034 8 0 "[ . 1 . 2]" 1
248 1 19 ILE HA 1 19 ILE MD . . 3.990 3.206 2.293 3.595 . 0 0 "[ . 1 . 2]" 1
249 1 19 ILE HA 1 19 ILE QG . . 3.790 2.555 2.249 3.241 . 0 0 "[ . 1 . 2]" 1
250 1 19 ILE HA 1 19 ILE MG . . 3.290 2.402 2.215 2.576 . 0 0 "[ . 1 . 2]" 1
251 1 19 ILE HA 1 20 HIS H . . 2.710 2.297 2.112 2.650 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE HB 1 19 ILE MD . . 3.440 2.477 2.156 3.289 . 0 0 "[ . 1 . 2]" 1
253 1 19 ILE HB 1 20 HIS H . . 4.020 3.867 2.963 4.098 0.078 16 0 "[ . 1 . 2]" 1
254 1 19 ILE HB 1 21 PHE QE . . 3.890 3.110 2.372 3.955 0.065 7 0 "[ . 1 . 2]" 1
255 1 19 ILE HB 1 88 ARG HG2 . . 4.400 4.101 3.294 4.477 0.077 2 0 "[ . 1 . 2]" 1
256 1 19 ILE MD 1 19 ILE MG . . 3.330 2.926 2.197 3.279 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE MD 1 20 HIS H . . 5.480 4.846 4.190 5.183 . 0 0 "[ . 1 . 2]" 1
258 1 19 ILE MD 1 21 PHE QE . . 4.530 4.065 3.041 4.588 0.058 13 0 "[ . 1 . 2]" 1
259 1 19 ILE MD 1 21 PHE HZ . . 4.450 3.782 3.012 4.531 0.081 12 0 "[ . 1 . 2]" 1
260 1 19 ILE MD 1 88 ARG HB2 . . 4.700 4.235 3.488 4.773 0.073 8 0 "[ . 1 . 2]" 1
261 1 19 ILE MD 1 88 ARG HB3 . . 4.620 2.859 2.250 3.367 . 0 0 "[ . 1 . 2]" 1
262 1 19 ILE MD 1 88 ARG HG3 . . 4.650 4.306 3.443 4.718 0.068 13 0 "[ . 1 . 2]" 1
263 1 19 ILE MD 1 89 VAL H . . 4.060 3.629 3.251 4.128 0.068 12 0 "[ . 1 . 2]" 1
264 1 19 ILE MD 1 89 VAL HA . . 3.320 2.016 1.884 2.175 . 0 0 "[ . 1 . 2]" 1
265 1 19 ILE MD 1 89 VAL MG1 . . 4.450 2.770 2.158 3.360 . 0 0 "[ . 1 . 2]" 1
266 1 19 ILE MD 1 89 VAL MG2 . . 3.840 2.049 1.900 2.733 . 0 0 "[ . 1 . 2]" 1
267 1 19 ILE MD 1 92 GLN H . . 4.250 3.688 3.290 4.085 . 0 0 "[ . 1 . 2]" 1
268 1 19 ILE MD 1 92 GLN HB3 . . 3.390 2.264 2.115 2.481 . 0 0 "[ . 1 . 2]" 1
269 1 19 ILE MD 1 92 GLN HG2 . . 3.890 3.340 3.037 3.550 . 0 0 "[ . 1 . 2]" 1
270 1 19 ILE MG 1 20 HIS H . . 3.280 2.361 1.733 2.873 . 0 0 "[ . 1 . 2]" 1
271 1 19 ILE MG 1 20 HIS HD2 . . 4.450 3.679 2.325 4.550 0.100 11 0 "[ . 1 . 2]" 1
272 1 19 ILE MG 1 21 PHE HA . . 4.200 4.019 3.371 4.289 0.089 6 0 "[ . 1 . 2]" 1
273 1 19 ILE MG 1 21 PHE QD . . 4.230 3.775 2.610 4.375 0.145 11 0 "[ . 1 . 2]" 1
274 1 19 ILE MG 1 21 PHE QE . . 4.180 3.326 2.394 4.277 0.097 7 0 "[ . 1 . 2]" 1
275 1 19 ILE MG 1 88 ARG HD3 . . 4.880 4.698 3.061 5.448 0.568 5 1 "[ + 1 . 2]" 1
276 1 19 ILE MG 1 88 ARG HE . . 5.280 4.815 3.723 5.359 0.079 11 0 "[ . 1 . 2]" 1
277 1 19 ILE MG 1 88 ARG HG3 . . 4.140 2.798 2.317 3.287 . 0 0 "[ . 1 . 2]" 1
278 1 19 ILE MG 1 89 VAL MG2 . . 4.790 4.258 3.664 4.802 0.012 19 0 "[ . 1 . 2]" 1
279 1 19 ILE MG 1 92 GLN HB2 . . 4.560 4.262 3.629 4.643 0.083 7 0 "[ . 1 . 2]" 1
280 1 20 HIS H 1 20 HIS HB2 . . 3.680 3.167 2.340 3.747 0.067 8 0 "[ . 1 . 2]" 1
281 1 20 HIS H 1 20 HIS HB3 . . 3.410 3.189 2.132 3.757 0.347 18 0 "[ . 1 . 2]" 1
282 1 20 HIS H 1 20 HIS HD2 . . 5.260 2.898 2.122 3.905 . 0 0 "[ . 1 . 2]" 1
283 1 20 HIS H 1 21 PHE H . . 4.940 4.274 3.894 4.645 . 0 0 "[ . 1 . 2]" 1
284 1 20 HIS HA 1 21 PHE H . . 2.920 2.237 2.108 2.445 . 0 0 "[ . 1 . 2]" 1
285 1 20 HIS HA 1 22 GLY H . . 3.960 3.568 2.901 4.032 0.072 17 0 "[ . 1 . 2]" 1
286 1 20 HIS HB3 1 20 HIS HD2 . . 3.870 3.623 2.575 3.944 0.074 16 0 "[ . 1 . 2]" 1
287 1 20 HIS HB3 1 21 PHE H . . 4.820 4.070 2.934 4.655 . 0 0 "[ . 1 . 2]" 1
288 1 20 HIS HB3 1 22 GLY H . . 5.140 4.450 2.883 5.479 0.339 15 0 "[ . 1 . 2]" 1
289 1 21 PHE H 1 21 PHE HB2 . . 4.060 2.560 2.428 2.837 . 0 0 "[ . 1 . 2]" 1
290 1 21 PHE H 1 21 PHE HB3 . . 3.670 3.663 3.615 3.726 0.056 17 0 "[ . 1 . 2]" 1
291 1 21 PHE H 1 21 PHE QD . . 3.740 2.863 2.254 3.393 . 0 0 "[ . 1 . 2]" 1
292 1 21 PHE H 1 22 GLY H . . 3.520 2.297 1.914 2.716 . 0 0 "[ . 1 . 2]" 1
293 1 21 PHE H 1 23 ASN H . . 4.470 4.230 3.665 4.549 0.079 17 0 "[ . 1 . 2]" 1
294 1 21 PHE HA 1 21 PHE QD . . 3.390 2.559 2.132 3.278 . 0 0 "[ . 1 . 2]" 1
295 1 21 PHE HB2 1 22 GLY H . . 3.930 2.988 2.296 3.511 . 0 0 "[ . 1 . 2]" 1
296 1 21 PHE HB2 1 23 ASN H . . 4.140 2.808 2.358 3.352 . 0 0 "[ . 1 . 2]" 1
297 1 21 PHE HB2 1 23 ASN HD21 . . 5.500 4.085 2.998 5.574 0.074 12 0 "[ . 1 . 2]" 1
298 1 21 PHE HB3 1 22 GLY H . . 4.130 3.976 3.448 4.207 0.077 3 0 "[ . 1 . 2]" 1
299 1 21 PHE QD 1 22 GLY H . . 4.820 4.300 3.626 4.665 . 0 0 "[ . 1 . 2]" 1
300 1 21 PHE QD 1 27 ASP H . . 4.590 4.052 3.091 4.699 0.109 16 0 "[ . 1 . 2]" 1
301 1 21 PHE QD 1 27 ASP HA . . 3.240 2.745 2.175 3.317 0.077 7 0 "[ . 1 . 2]" 1
302 1 21 PHE QD 1 85 ILE MG . . 4.010 4.010 3.744 4.128 0.118 3 0 "[ . 1 . 2]" 1
303 1 21 PHE QE 1 85 ILE MD . . 3.790 3.483 2.483 3.909 0.119 11 0 "[ . 1 . 2]" 1
304 1 21 PHE QE 1 85 ILE MG . . 4.440 2.456 2.162 2.766 . 0 0 "[ . 1 . 2]" 1
305 1 21 PHE QE 1 88 ARG HB3 . . 4.110 2.946 2.200 3.819 . 0 0 "[ . 1 . 2]" 1
306 1 21 PHE QE 1 88 ARG HD3 . . 4.290 3.871 2.339 4.885 0.595 15 1 "[ . 1 + 2]" 1
307 1 21 PHE QE 1 88 ARG HG2 . . 4.040 2.295 2.060 2.600 . 0 0 "[ . 1 . 2]" 1
308 1 21 PHE QE 1 89 VAL H . . 5.500 4.847 4.246 5.583 0.083 16 0 "[ . 1 . 2]" 1
309 1 21 PHE HZ 1 85 ILE HA . . 3.990 2.906 2.063 4.054 0.064 10 0 "[ . 1 . 2]" 1
310 1 21 PHE HZ 1 85 ILE MD . . 4.590 4.367 3.374 4.682 0.092 17 0 "[ . 1 . 2]" 1
311 1 21 PHE HZ 1 85 ILE MG . . 4.130 2.237 1.970 2.432 . 0 0 "[ . 1 . 2]" 1
312 1 21 PHE HZ 1 88 ARG HB3 . . 4.250 3.208 2.467 4.198 . 0 0 "[ . 1 . 2]" 1
313 1 22 GLY H 1 23 ASN H . . 3.140 2.798 2.215 3.127 . 0 0 "[ . 1 . 2]" 1
314 1 23 ASN H 1 23 ASN HB2 . . 3.430 2.576 2.192 3.640 0.210 15 0 "[ . 1 . 2]" 1
315 1 23 ASN H 1 23 ASN HB3 . . 3.900 3.436 2.820 3.773 . 0 0 "[ . 1 . 2]" 1
316 1 23 ASN H 1 23 ASN HD21 . . 5.060 3.140 2.322 3.953 . 0 0 "[ . 1 . 2]" 1
317 1 23 ASN H 1 23 ASN HD22 . . 3.920 3.882 3.205 4.009 0.089 16 0 "[ . 1 . 2]" 1
318 1 23 ASN H 1 24 ASP H . . 4.710 4.497 4.298 4.655 . 0 0 "[ . 1 . 2]" 1
319 1 23 ASN H 1 26 GLU H . . 5.500 5.247 4.501 5.568 0.068 20 0 "[ . 1 . 2]" 1
320 1 23 ASN H 1 26 GLU HB2 . . 4.950 4.358 3.592 5.022 0.072 10 0 "[ . 1 . 2]" 1
321 1 23 ASN H 1 26 GLU HB3 . . 4.760 4.742 3.769 4.851 0.091 8 0 "[ . 1 . 2]" 1
322 1 23 ASN H 1 27 ASP H . . 4.990 4.728 4.182 5.063 0.073 9 0 "[ . 1 . 2]" 1
323 1 23 ASN HA 1 23 ASN HD21 . . 4.450 4.117 2.338 4.527 0.077 13 0 "[ . 1 . 2]" 1
324 1 23 ASN HA 1 24 ASP H . . 2.710 2.425 2.081 2.707 . 0 0 "[ . 1 . 2]" 1
325 1 23 ASN HA 1 24 ASP QB . . 4.290 4.031 3.698 4.352 0.062 12 0 "[ . 1 . 2]" 1
326 1 23 ASN HA 1 25 TYR H . . 4.400 4.298 3.863 4.482 0.082 16 0 "[ . 1 . 2]" 1
327 1 23 ASN HA 1 26 GLU H . . 5.500 4.924 4.516 5.500 . 0 0 "[ . 1 . 2]" 1
328 1 23 ASN HB2 1 23 ASN HD21 . . 3.590 2.634 2.200 3.583 . 0 0 "[ . 1 . 2]" 1
329 1 23 ASN HB2 1 23 ASN HD22 . . 4.070 3.670 3.487 4.102 0.032 12 0 "[ . 1 . 2]" 1
330 1 23 ASN HB2 1 24 ASP H . . 3.980 3.446 2.125 4.067 0.087 1 0 "[ . 1 . 2]" 1
331 1 23 ASN HB2 1 26 GLU H . . 4.240 3.206 2.538 3.684 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASN HB2 1 26 GLU HB2 . . 4.130 2.453 2.039 3.987 . 0 0 "[ . 1 . 2]" 1
333 1 23 ASN HB3 1 24 ASP H . . 3.880 2.805 2.224 3.731 . 0 0 "[ . 1 . 2]" 1
334 1 24 ASP H 1 24 ASP QB . . 2.830 2.396 2.143 2.540 . 0 0 "[ . 1 . 2]" 1
335 1 24 ASP H 1 25 TYR H . . 3.550 2.088 1.834 2.623 . 0 0 "[ . 1 . 2]" 1
336 1 24 ASP H 1 25 TYR QD . . 5.500 5.487 5.194 5.595 0.095 18 0 "[ . 1 . 2]" 1
337 1 24 ASP H 1 27 ASP H . . 5.160 4.369 4.049 4.745 . 0 0 "[ . 1 . 2]" 1
338 1 24 ASP HA 1 24 ASP QB . . 2.760 2.414 2.204 2.559 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASP HA 1 27 ASP H . . 3.790 3.541 2.819 3.858 0.068 16 0 "[ . 1 . 2]" 1
340 1 24 ASP HA 1 27 ASP HB2 . . 3.360 3.091 2.364 3.438 0.078 8 0 "[ . 1 . 2]" 1
341 1 24 ASP HA 1 27 ASP HB3 . . 4.130 2.884 2.191 3.880 . 0 0 "[ . 1 . 2]" 1
342 1 24 ASP HA 1 28 ARG H . . 4.930 3.815 3.511 4.036 . 0 0 "[ . 1 . 2]" 1
343 1 24 ASP QB 1 25 TYR H . . 3.300 2.690 2.302 3.211 . 0 0 "[ . 1 . 2]" 1
344 1 25 TYR H 1 25 TYR HB2 . . 3.170 2.730 2.435 3.009 . 0 0 "[ . 1 . 2]" 1
345 1 25 TYR H 1 25 TYR HB3 . . 3.170 2.277 2.167 2.385 . 0 0 "[ . 1 . 2]" 1
346 1 25 TYR H 1 25 TYR QD . . 4.340 4.103 3.952 4.172 . 0 0 "[ . 1 . 2]" 1
347 1 25 TYR H 1 26 GLU HB2 . . 5.310 4.510 4.041 4.913 . 0 0 "[ . 1 . 2]" 1
348 1 25 TYR H 1 27 ASP H . . 5.090 4.069 3.758 4.261 . 0 0 "[ . 1 . 2]" 1
349 1 25 TYR HA 1 25 TYR QD . . 3.090 2.738 2.397 3.129 0.039 10 0 "[ . 1 . 2]" 1
350 1 25 TYR HA 1 28 ARG H . . 4.600 3.694 3.410 3.951 . 0 0 "[ . 1 . 2]" 1
351 1 25 TYR HA 1 28 ARG HB3 . . 3.750 3.503 2.831 3.839 0.089 10 0 "[ . 1 . 2]" 1
352 1 25 TYR HB2 1 26 GLU H . . 4.060 3.855 3.753 4.024 . 0 0 "[ . 1 . 2]" 1
353 1 25 TYR HB3 1 26 GLU H . . 3.600 2.445 2.289 2.657 . 0 0 "[ . 1 . 2]" 1
354 1 25 TYR HB3 1 26 GLU HB2 . . 4.260 4.080 3.622 4.327 0.067 17 0 "[ . 1 . 2]" 1
355 1 25 TYR QD 1 26 GLU H . . 4.510 2.811 2.532 3.076 . 0 0 "[ . 1 . 2]" 1
356 1 25 TYR QD 1 26 GLU HA . . 4.060 3.402 2.728 3.959 . 0 0 "[ . 1 . 2]" 1
357 1 25 TYR QD 1 26 GLU HB2 . . 4.120 3.582 2.332 4.205 0.085 14 0 "[ . 1 . 2]" 1
358 1 25 TYR QD 1 26 GLU HG2 . . 4.030 3.963 3.655 4.128 0.098 5 0 "[ . 1 . 2]" 1
359 1 25 TYR QD 1 26 GLU HG3 . . 3.530 2.489 2.154 2.746 . 0 0 "[ . 1 . 2]" 1
360 1 25 TYR QE 1 26 GLU HG2 . . 4.400 4.034 3.450 4.482 0.082 13 0 "[ . 1 . 2]" 1
361 1 25 TYR QE 1 26 GLU HG3 . . 4.430 3.172 2.169 3.881 . 0 0 "[ . 1 . 2]" 1
362 1 25 TYR QE 1 29 TYR H . . 5.270 5.209 4.801 5.359 0.089 17 0 "[ . 1 . 2]" 1
363 1 25 TYR QE 1 81 THR MG . . 3.360 3.048 2.180 3.506 0.146 11 0 "[ . 1 . 2]" 1
364 1 26 GLU H 1 26 GLU HB2 . . 3.390 2.016 1.814 2.182 . 0 0 "[ . 1 . 2]" 1
365 1 26 GLU H 1 26 GLU HB3 . . 3.780 3.286 2.794 3.508 . 0 0 "[ . 1 . 2]" 1
366 1 26 GLU H 1 26 GLU HG2 . . 4.140 4.056 3.567 4.233 0.093 15 0 "[ . 1 . 2]" 1
367 1 26 GLU H 1 26 GLU HG3 . . 3.550 3.097 2.565 3.614 0.064 15 0 "[ . 1 . 2]" 1
368 1 26 GLU H 1 27 ASP H . . 3.680 2.686 2.401 2.878 . 0 0 "[ . 1 . 2]" 1
369 1 26 GLU H 1 29 TYR H . . 4.680 4.698 4.530 4.772 0.092 16 0 "[ . 1 . 2]" 1
370 1 26 GLU HA 1 26 GLU HG2 . . 3.750 2.456 2.104 2.631 . 0 0 "[ . 1 . 2]" 1
371 1 26 GLU HA 1 26 GLU HG3 . . 3.910 2.624 2.274 3.002 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLU HA 1 29 TYR H . . 4.070 3.524 3.092 3.872 . 0 0 "[ . 1 . 2]" 1
373 1 26 GLU HA 1 29 TYR HB2 . . 4.290 3.353 2.494 4.370 0.080 16 0 "[ . 1 . 2]" 1
374 1 26 GLU HA 1 29 TYR HB3 . . 3.640 2.776 2.281 3.368 . 0 0 "[ . 1 . 2]" 1
375 1 26 GLU HA 1 85 ILE MD . . 3.940 2.995 2.466 3.373 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLU HB2 1 27 ASP H . . 3.810 3.115 2.603 3.810 0.000 16 0 "[ . 1 . 2]" 1
377 1 26 GLU HB3 1 27 ASP H . . 4.080 3.247 2.692 4.028 . 0 0 "[ . 1 . 2]" 1
378 1 26 GLU HB3 1 85 ILE MD . . 4.460 3.033 2.223 4.190 . 0 0 "[ . 1 . 2]" 1
379 1 26 GLU HG2 1 81 THR MG . . 4.220 3.133 2.266 4.264 0.044 17 0 "[ . 1 . 2]" 1
380 1 26 GLU HG3 1 27 ASP H . . 5.500 4.936 4.605 5.286 . 0 0 "[ . 1 . 2]" 1
381 1 26 GLU HG3 1 81 THR MG . . 4.640 3.457 2.450 4.496 . 0 0 "[ . 1 . 2]" 1
382 1 26 GLU HG3 1 85 ILE MD . . 4.800 3.769 3.293 4.049 . 0 0 "[ . 1 . 2]" 1
383 1 27 ASP H 1 27 ASP HB2 . . 3.260 2.361 2.011 2.660 . 0 0 "[ . 1 . 2]" 1
384 1 27 ASP H 1 27 ASP HB3 . . 3.520 2.790 2.389 3.327 . 0 0 "[ . 1 . 2]" 1
385 1 27 ASP HB2 1 28 ARG H . . 3.740 3.472 2.642 3.805 0.065 14 0 "[ . 1 . 2]" 1
386 1 27 ASP HB3 1 28 ARG H . . 3.350 2.451 2.190 2.905 . 0 0 "[ . 1 . 2]" 1
387 1 27 ASP HB3 1 28 ARG HB2 . . 4.110 4.086 3.530 4.187 0.077 16 0 "[ . 1 . 2]" 1
388 1 28 ARG H 1 28 ARG HB2 . . 2.980 2.169 2.055 2.279 . 0 0 "[ . 1 . 2]" 1
389 1 28 ARG H 1 28 ARG HG2 . . 4.640 4.515 4.201 4.671 0.031 18 0 "[ . 1 . 2]" 1
390 1 28 ARG H 1 28 ARG HG3 . . 4.110 3.997 3.074 4.193 0.083 20 0 "[ . 1 . 2]" 1
391 1 28 ARG H 1 29 TYR H . . 3.790 2.795 2.602 2.962 . 0 0 "[ . 1 . 2]" 1
392 1 28 ARG H 1 30 TYR H . . 5.340 4.617 4.274 5.404 0.064 16 0 "[ . 1 . 2]" 1
393 1 28 ARG HA 1 28 ARG QD . . 4.430 3.682 2.391 4.066 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG HA 1 28 ARG HG2 . . 4.040 2.967 2.568 3.543 . 0 0 "[ . 1 . 2]" 1
395 1 28 ARG HA 1 28 ARG HG3 . . 3.690 2.268 2.056 2.700 . 0 0 "[ . 1 . 2]" 1
396 1 28 ARG HA 1 31 ARG H . . 3.980 3.221 2.689 3.737 . 0 0 "[ . 1 . 2]" 1
397 1 28 ARG HA 1 32 GLU H . . 4.780 3.700 3.398 4.499 . 0 0 "[ . 1 . 2]" 1
398 1 28 ARG HB2 1 28 ARG QD . . 3.030 2.421 2.168 3.103 0.073 1 0 "[ . 1 . 2]" 1
399 1 28 ARG HB2 1 29 TYR H . . 3.770 3.450 2.923 3.690 . 0 0 "[ . 1 . 2]" 1
400 1 28 ARG HB3 1 29 TYR H . . 3.720 2.791 2.284 3.277 . 0 0 "[ . 1 . 2]" 1
401 1 28 ARG HB3 1 29 TYR HA . . 3.710 3.748 3.485 3.795 0.085 20 0 "[ . 1 . 2]" 1
402 1 28 ARG HB3 1 32 GLU HG3 . . 4.060 4.029 3.311 4.151 0.091 17 0 "[ . 1 . 2]" 1
403 1 28 ARG HG3 1 32 GLU HG3 . . 4.590 3.936 3.169 4.663 0.073 1 0 "[ . 1 . 2]" 1
404 1 29 TYR H 1 29 TYR HB2 . . 3.680 2.541 2.191 3.555 . 0 0 "[ . 1 . 2]" 1
405 1 29 TYR H 1 29 TYR HB3 . . 3.780 2.449 2.125 2.938 . 0 0 "[ . 1 . 2]" 1
406 1 29 TYR H 1 29 TYR QD . . 5.140 3.994 1.937 4.232 . 0 0 "[ . 1 . 2]" 1
407 1 29 TYR H 1 30 TYR H . . 4.240 2.954 2.775 3.583 . 0 0 "[ . 1 . 2]" 1
408 1 29 TYR HA 1 29 TYR QD . . 3.550 2.746 2.278 3.646 0.096 16 0 "[ . 1 . 2]" 1
409 1 29 TYR HA 1 30 TYR HA . . 4.590 4.627 4.529 4.670 0.080 10 0 "[ . 1 . 2]" 1
410 1 29 TYR HA 1 32 GLU H . . 4.460 4.324 3.826 4.536 0.076 19 0 "[ . 1 . 2]" 1
411 1 29 TYR HB2 1 30 TYR H . . 4.250 3.978 3.225 4.317 0.067 9 0 "[ . 1 . 2]" 1
412 1 29 TYR HB3 1 30 TYR H . . 3.780 2.845 2.283 3.663 . 0 0 "[ . 1 . 2]" 1
413 1 29 TYR HB3 1 85 ILE MD . . 4.660 3.297 2.135 4.105 . 0 0 "[ . 1 . 2]" 1
414 1 29 TYR QD 1 30 TYR H . . 4.390 3.720 2.618 4.478 0.088 19 0 "[ . 1 . 2]" 1
415 1 29 TYR QD 1 85 ILE MD . . 3.130 2.516 2.009 3.231 0.101 7 0 "[ . 1 . 2]" 1
416 1 29 TYR QD 1 85 ILE MG . . 4.530 4.314 3.571 4.640 0.110 10 0 "[ . 1 . 2]" 1
417 1 30 TYR H 1 30 TYR HB2 . . 3.080 2.289 2.028 2.577 . 0 0 "[ . 1 . 2]" 1
418 1 30 TYR H 1 30 TYR QD . . 4.660 3.161 2.701 3.690 . 0 0 "[ . 1 . 2]" 1
419 1 30 TYR H 1 31 ARG H . . 3.810 2.422 2.131 2.778 . 0 0 "[ . 1 . 2]" 1
420 1 30 TYR H 1 85 ILE MD . . 4.030 3.757 3.207 4.106 0.076 7 0 "[ . 1 . 2]" 1
421 1 30 TYR HA 1 30 TYR QD . . 2.980 2.678 2.256 3.044 0.064 7 0 "[ . 1 . 2]" 1
422 1 30 TYR HA 1 32 GLU H . . 5.500 4.186 3.433 4.597 . 0 0 "[ . 1 . 2]" 1
423 1 30 TYR HA 1 33 ASN H . . 4.170 3.746 3.038 4.039 . 0 0 "[ . 1 . 2]" 1
424 1 30 TYR HB2 1 31 ARG H . . 3.540 3.138 2.644 3.497 . 0 0 "[ . 1 . 2]" 1
425 1 30 TYR HB2 1 85 ILE MD . . 3.960 3.383 2.227 4.102 0.142 16 0 "[ . 1 . 2]" 1
426 1 30 TYR HB2 1 85 ILE MG . . 3.810 3.099 2.643 3.800 . 0 0 "[ . 1 . 2]" 1
427 1 30 TYR QD 1 31 ARG H . . 4.730 4.677 4.465 4.812 0.082 14 0 "[ . 1 . 2]" 1
428 1 30 TYR QD 1 85 ILE MG . . 3.380 2.765 2.202 3.213 . 0 0 "[ . 1 . 2]" 1
429 1 30 TYR QE 1 82 ASP HA . . 3.650 3.231 2.479 3.721 0.071 14 0 "[ . 1 . 2]" 1
430 1 30 TYR QE 1 82 ASP QB . . 4.320 4.068 3.393 4.257 . 0 0 "[ . 1 . 2]" 1
431 1 30 TYR QE 1 85 ILE MD . . 3.780 3.047 2.144 3.891 0.111 10 0 "[ . 1 . 2]" 1
432 1 30 TYR QE 1 85 ILE MG . . 3.520 2.835 2.639 3.318 . 0 0 "[ . 1 . 2]" 1
433 1 30 TYR QE 1 86 MET H . . 5.310 4.334 3.660 5.125 . 0 0 "[ . 1 . 2]" 1
434 1 31 ARG H 1 31 ARG QB . . 2.990 2.229 1.961 2.676 . 0 0 "[ . 1 . 2]" 1
435 1 31 ARG H 1 31 ARG HE . . 5.210 4.907 3.909 5.296 0.086 18 0 "[ . 1 . 2]" 1
436 1 31 ARG H 1 31 ARG HG2 . . 4.300 3.322 2.268 4.387 0.087 9 0 "[ . 1 . 2]" 1
437 1 31 ARG H 1 31 ARG HG3 . . 4.280 3.781 3.004 4.359 0.079 8 0 "[ . 1 . 2]" 1
438 1 31 ARG H 1 32 GLU H . . 3.670 2.957 2.646 3.214 . 0 0 "[ . 1 . 2]" 1
439 1 31 ARG HA 1 31 ARG QD . . 4.480 2.715 2.137 3.755 . 0 0 "[ . 1 . 2]" 1
440 1 31 ARG HA 1 31 ARG HG2 . . 3.770 2.775 2.107 3.716 . 0 0 "[ . 1 . 2]" 1
441 1 31 ARG HA 1 31 ARG HG3 . . 4.250 3.315 2.358 3.883 . 0 0 "[ . 1 . 2]" 1
442 1 31 ARG HA 1 33 ASN H . . 5.280 4.090 3.401 4.682 . 0 0 "[ . 1 . 2]" 1
443 1 31 ARG HA 1 34 MET H . . 4.220 3.484 2.749 4.039 . 0 0 "[ . 1 . 2]" 1
444 1 31 ARG HA 1 34 MET ME . . 3.090 2.444 2.005 3.195 0.105 19 0 "[ . 1 . 2]" 1
445 1 31 ARG QB 1 31 ARG QD . . 2.770 2.365 2.116 2.791 0.021 6 0 "[ . 1 . 2]" 1
446 1 31 ARG QB 1 31 ARG HE . . 4.490 2.977 2.190 4.116 . 0 0 "[ . 1 . 2]" 1
447 1 31 ARG QD 1 34 MET H . . 5.500 5.476 4.784 5.614 0.114 10 0 "[ . 1 . 2]" 1
448 1 31 ARG QD 1 34 MET ME . . 3.010 2.230 1.924 2.757 . 0 0 "[ . 1 . 2]" 1
449 1 31 ARG HE 1 34 MET ME . . 4.630 4.145 2.361 4.705 0.075 6 0 "[ . 1 . 2]" 1
450 1 32 GLU H 1 32 GLU QB . . 2.920 2.364 2.183 2.487 . 0 0 "[ . 1 . 2]" 1
451 1 32 GLU H 1 32 GLU HG2 . . 3.680 3.315 2.454 3.745 0.065 20 0 "[ . 1 . 2]" 1
452 1 32 GLU H 1 32 GLU HG3 . . 3.560 2.598 2.119 3.601 0.041 6 0 "[ . 1 . 2]" 1
453 1 32 GLU H 1 33 ASN H . . 3.150 2.914 2.753 3.208 0.058 1 0 "[ . 1 . 2]" 1
454 1 32 GLU H 1 34 MET H . . 5.180 4.437 4.098 4.812 . 0 0 "[ . 1 . 2]" 1
455 1 32 GLU HA 1 32 GLU HG2 . . 3.270 2.359 2.216 2.560 . 0 0 "[ . 1 . 2]" 1
456 1 32 GLU HA 1 32 GLU HG3 . . 3.530 3.179 2.787 3.605 0.075 6 0 "[ . 1 . 2]" 1
457 1 32 GLU QB 1 33 ASN H . . 3.870 2.881 2.314 3.447 . 0 0 "[ . 1 . 2]" 1
458 1 32 GLU QB 1 33 ASN HD21 . . 5.030 3.194 1.850 5.097 0.067 17 0 "[ . 1 . 2]" 1
459 1 32 GLU QB 1 33 ASN HD22 . . 5.020 3.740 2.503 5.076 0.056 8 0 "[ . 1 . 2]" 1
460 1 33 ASN H 1 33 ASN QB . . 3.630 3.067 2.484 3.405 . 0 0 "[ . 1 . 2]" 1
461 1 33 ASN H 1 33 ASN HD21 . . 4.190 3.254 2.042 4.267 0.077 14 0 "[ . 1 . 2]" 1
462 1 33 ASN H 1 33 ASN HD22 . . 4.820 4.094 3.632 4.889 0.069 7 0 "[ . 1 . 2]" 1
463 1 33 ASN H 1 34 MET H . . 3.370 2.376 1.990 2.715 . 0 0 "[ . 1 . 2]" 1
464 1 33 ASN H 1 35 TYR QE . . 5.440 5.216 4.610 5.532 0.092 1 0 "[ . 1 . 2]" 1
465 1 33 ASN HA 1 35 TYR H . . 4.760 3.624 3.024 4.155 . 0 0 "[ . 1 . 2]" 1
466 1 33 ASN HA 1 35 TYR QD . . 3.200 2.965 2.474 3.294 0.094 20 0 "[ . 1 . 2]" 1
467 1 33 ASN HA 1 35 TYR QE . . 3.560 2.560 2.171 3.513 . 0 0 "[ . 1 . 2]" 1
468 1 33 ASN HA 1 36 ARG HE . . 5.080 4.665 3.463 5.146 0.066 5 0 "[ . 1 . 2]" 1
469 1 33 ASN QB 1 36 ARG HD2 . . 4.390 3.470 2.130 5.174 0.784 1 1 "[+ . 1 . 2]" 1
470 1 33 ASN QB 1 36 ARG HE . . 4.830 2.768 1.727 4.435 . 0 0 "[ . 1 . 2]" 1
471 1 34 MET H 1 34 MET HB2 . . 3.520 3.166 1.972 3.567 0.047 1 0 "[ . 1 . 2]" 1
472 1 34 MET H 1 34 MET HB3 . . 3.460 2.632 1.909 3.587 0.127 15 0 "[ . 1 . 2]" 1
473 1 34 MET H 1 34 MET ME . . 4.630 4.036 3.422 4.671 0.041 19 0 "[ . 1 . 2]" 1
474 1 34 MET H 1 34 MET HG2 . . 4.190 2.672 1.854 4.270 0.080 17 0 "[ . 1 . 2]" 1
475 1 34 MET H 1 34 MET HG3 . . 3.910 3.222 1.756 4.279 0.369 7 0 "[ . 1 . 2]" 1
476 1 34 MET H 1 35 TYR H . . 3.080 2.975 2.582 3.137 0.057 9 0 "[ . 1 . 2]" 1
477 1 34 MET HA 1 36 ARG H . . 5.070 3.645 3.414 4.079 . 0 0 "[ . 1 . 2]" 1
478 1 34 MET HA 1 37 TYR H . . 4.960 3.997 3.353 4.983 0.023 8 0 "[ . 1 . 2]" 1
479 1 34 MET HA 1 37 TYR QD . . 2.970 2.582 2.068 3.052 0.082 11 0 "[ . 1 . 2]" 1
480 1 34 MET HB2 1 35 TYR H . . 4.150 3.726 2.460 4.219 0.069 11 0 "[ . 1 . 2]" 1
481 1 34 MET HB3 1 35 TYR H . . 4.210 3.922 2.798 4.291 0.081 1 0 "[ . 1 . 2]" 1
482 1 34 MET ME 1 34 MET HG3 . . 3.400 2.761 2.175 3.422 0.022 11 0 "[ . 1 . 2]" 1
483 1 34 MET HG2 1 35 TYR H . . 4.500 3.408 2.321 5.161 0.661 19 3 "[ .- 1 * . +2]" 1
484 1 35 TYR H 1 35 TYR HB2 . . 3.630 3.506 2.781 3.653 0.023 3 0 "[ . 1 . 2]" 1
485 1 35 TYR H 1 35 TYR HB3 . . 3.520 2.556 2.254 3.450 . 0 0 "[ . 1 . 2]" 1
486 1 35 TYR H 1 35 TYR QD . . 3.440 2.195 1.926 2.698 . 0 0 "[ . 1 . 2]" 1
487 1 35 TYR HA 1 37 TYR H . . 4.210 3.839 3.468 4.270 0.060 9 0 "[ . 1 . 2]" 1
488 1 35 TYR HB2 1 36 ARG H . . 5.230 4.244 3.431 4.483 . 0 0 "[ . 1 . 2]" 1
489 1 35 TYR HB3 1 36 ARG H . . 4.800 4.388 4.004 4.637 . 0 0 "[ . 1 . 2]" 1
490 1 35 TYR QD 1 36 ARG H . . 4.600 3.309 2.314 4.110 . 0 0 "[ . 1 . 2]" 1
491 1 36 ARG H 1 36 ARG HB2 . . 3.570 2.438 2.010 2.600 . 0 0 "[ . 1 . 2]" 1
492 1 36 ARG H 1 36 ARG HB3 . . 4.000 3.602 3.083 3.747 . 0 0 "[ . 1 . 2]" 1
493 1 36 ARG H 1 36 ARG HG2 . . 4.330 3.646 3.216 4.401 0.071 15 0 "[ . 1 . 2]" 1
494 1 36 ARG H 1 36 ARG HG3 . . 3.740 2.713 2.182 3.687 . 0 0 "[ . 1 . 2]" 1
495 1 36 ARG H 1 37 TYR H . . 3.480 2.557 1.944 3.027 . 0 0 "[ . 1 . 2]" 1
496 1 36 ARG H 1 37 TYR HA . . 5.240 5.055 4.582 5.301 0.061 1 0 "[ . 1 . 2]" 1
497 1 36 ARG HA 1 36 ARG HG2 . . 3.410 2.550 2.339 3.057 . 0 0 "[ . 1 . 2]" 1
498 1 36 ARG HA 1 36 ARG HG3 . . 3.730 3.136 2.374 3.555 . 0 0 "[ . 1 . 2]" 1
499 1 36 ARG HB2 1 36 ARG HD3 . . 4.000 3.334 2.456 3.929 . 0 0 "[ . 1 . 2]" 1
500 1 36 ARG HB2 1 36 ARG HE . . 5.100 3.533 2.125 4.475 . 0 0 "[ . 1 . 2]" 1
501 1 36 ARG HB2 1 37 TYR H . . 4.340 3.430 3.054 4.313 . 0 0 "[ . 1 . 2]" 1
502 1 36 ARG HB3 1 36 ARG HD3 . . 4.140 2.995 2.371 3.753 . 0 0 "[ . 1 . 2]" 1
503 1 36 ARG HB3 1 36 ARG HE . . 4.210 3.879 1.930 4.624 0.414 12 0 "[ . 1 . 2]" 1
504 1 37 TYR H 1 37 TYR HB2 . . 4.150 2.663 2.150 4.031 . 0 0 "[ . 1 . 2]" 1
505 1 37 TYR H 1 37 TYR HB3 . . 3.390 3.353 2.278 3.719 0.329 8 0 "[ . 1 . 2]" 1
506 1 37 TYR H 1 37 TYR QD . . 4.190 2.833 2.181 3.748 . 0 0 "[ . 1 . 2]" 1
507 1 37 TYR HA 1 37 TYR QD . . 3.140 2.852 2.112 3.283 0.143 5 0 "[ . 1 . 2]" 1
508 1 37 TYR HA 1 38 PRO HD2 . . 3.620 2.811 2.520 3.349 . 0 0 "[ . 1 . 2]" 1
509 1 37 TYR HA 1 38 PRO HD3 . . 3.470 2.505 2.250 3.573 0.103 14 0 "[ . 1 . 2]" 1
510 1 37 TYR HB2 1 38 PRO HD2 . . 3.770 3.411 2.011 4.018 0.248 19 0 "[ . 1 . 2]" 1
511 1 38 PRO HA 1 39 ASP H . . 2.770 2.235 2.163 2.340 . 0 0 "[ . 1 . 2]" 1
512 1 38 PRO HA 1 40 GLN H . . 3.920 3.898 3.560 4.004 0.084 8 0 "[ . 1 . 2]" 1
513 1 38 PRO HB2 1 39 ASP H . . 4.110 3.340 2.802 4.068 . 0 0 "[ . 1 . 2]" 1
514 1 38 PRO HB2 1 40 GLN H . . 3.720 2.607 2.386 2.899 . 0 0 "[ . 1 . 2]" 1
515 1 38 PRO HB3 1 39 ASP H . . 4.220 3.841 3.121 4.294 0.074 14 0 "[ . 1 . 2]" 1
516 1 38 PRO HB3 1 40 GLN H . . 4.100 4.092 3.146 4.190 0.090 14 0 "[ . 1 . 2]" 1
517 1 38 PRO HD2 1 90 VAL MG2 . . 4.480 4.567 4.421 4.589 0.109 15 0 "[ . 1 . 2]" 1
518 1 38 PRO HG2 1 90 VAL MG2 . . 3.850 3.835 3.571 3.961 0.111 14 0 "[ . 1 . 2]" 1
519 1 38 PRO HG2 1 93 MET ME . . 3.420 3.123 2.208 3.531 0.111 14 0 "[ . 1 . 2]" 1
520 1 39 ASP H 1 39 ASP HB2 . . 4.160 3.650 2.322 3.964 . 0 0 "[ . 1 . 2]" 1
521 1 39 ASP H 1 40 GLN H . . 3.040 2.725 2.342 3.101 0.061 15 0 "[ . 1 . 2]" 1
522 1 39 ASP H 1 40 GLN HB2 . . 5.450 4.818 4.189 5.283 . 0 0 "[ . 1 . 2]" 1
523 1 39 ASP HA 1 39 ASP HB3 . . 2.770 2.361 2.245 2.519 . 0 0 "[ . 1 . 2]" 1
524 1 39 ASP HA 1 93 MET ME . . 3.320 2.788 2.259 3.121 . 0 0 "[ . 1 . 2]" 1
525 1 39 ASP HB2 1 93 MET ME . . 4.690 4.815 4.196 5.123 0.433 4 0 "[ . 1 . 2]" 1
526 1 40 GLN H 1 40 GLN HB2 . . 3.790 3.045 2.743 3.238 . 0 0 "[ . 1 . 2]" 1
527 1 40 GLN H 1 40 GLN HE21 . . 5.410 5.486 5.466 5.495 0.085 15 0 "[ . 1 . 2]" 1
528 1 40 GLN H 1 41 VAL H . . 5.210 4.380 4.269 4.508 . 0 0 "[ . 1 . 2]" 1
529 1 40 GLN H 1 41 VAL MG1 . . 5.280 3.910 3.628 4.101 . 0 0 "[ . 1 . 2]" 1
530 1 40 GLN H 1 63 THR MG . . 5.390 5.363 5.048 5.496 0.106 15 0 "[ . 1 . 2]" 1
531 1 40 GLN H 1 93 MET ME . . 3.720 2.934 2.469 3.498 . 0 0 "[ . 1 . 2]" 1
532 1 40 GLN HA 1 41 VAL H . . 3.110 2.412 2.310 2.542 . 0 0 "[ . 1 . 2]" 1
533 1 40 GLN HA 1 93 MET ME . . 4.370 4.125 3.613 4.434 0.064 13 0 "[ . 1 . 2]" 1
534 1 40 GLN HB2 1 40 GLN HE21 . . 3.790 3.176 2.930 3.549 . 0 0 "[ . 1 . 2]" 1
535 1 40 GLN HB2 1 41 VAL H . . 4.280 3.424 3.131 3.652 . 0 0 "[ . 1 . 2]" 1
536 1 40 GLN HB3 1 40 GLN HE22 . . 4.770 3.576 3.437 3.735 . 0 0 "[ . 1 . 2]" 1
537 1 40 GLN HB3 1 40 GLN HG3 . . 3.000 3.038 3.007 3.052 0.052 4 0 "[ . 1 . 2]" 1
538 1 40 GLN HB3 1 41 VAL H . . 4.270 2.794 2.565 3.038 . 0 0 "[ . 1 . 2]" 1
539 1 41 VAL H 1 41 VAL MG1 . . 3.860 3.175 2.940 3.330 . 0 0 "[ . 1 . 2]" 1
540 1 41 VAL H 1 41 VAL MG2 . . 3.250 2.358 2.181 2.487 . 0 0 "[ . 1 . 2]" 1
541 1 41 VAL H 1 93 MET ME . . 4.640 4.646 4.282 4.741 0.101 13 0 "[ . 1 . 2]" 1
542 1 41 VAL HA 1 41 VAL MG1 . . 3.290 2.255 2.159 2.384 . 0 0 "[ . 1 . 2]" 1
543 1 41 VAL HA 1 42 TYR H . . 3.330 2.656 2.495 2.831 . 0 0 "[ . 1 . 2]" 1
544 1 41 VAL HA 1 63 THR MG . . 3.230 2.768 2.456 3.053 . 0 0 "[ . 1 . 2]" 1
545 1 41 VAL HB 1 42 TYR H . . 3.300 2.137 1.981 2.293 . 0 0 "[ . 1 . 2]" 1
546 1 41 VAL HB 1 63 THR HG1 . . 4.360 3.506 2.937 4.136 . 0 0 "[ . 1 . 2]" 1
547 1 41 VAL HB 1 63 THR MG . . 3.820 3.352 2.630 3.772 . 0 0 "[ . 1 . 2]" 1
548 1 41 VAL MG1 1 42 TYR H . . 4.920 3.564 3.373 3.739 . 0 0 "[ . 1 . 2]" 1
549 1 41 VAL MG1 1 42 TYR QE . . 4.460 4.538 4.281 4.591 0.131 8 0 "[ . 1 . 2]" 1
550 1 41 VAL MG1 1 63 THR HG1 . . 4.600 4.001 3.746 4.335 . 0 0 "[ . 1 . 2]" 1
551 1 41 VAL MG1 1 63 THR MG . . 3.160 2.193 2.035 2.594 . 0 0 "[ . 1 . 2]" 1
552 1 41 VAL MG1 1 93 MET H . . 4.350 4.148 3.978 4.433 0.083 12 0 "[ . 1 . 2]" 1
553 1 41 VAL MG1 1 93 MET HB2 . . 3.280 2.370 2.131 2.615 . 0 0 "[ . 1 . 2]" 1
554 1 41 VAL MG1 1 93 MET ME . . 2.790 2.008 1.902 2.280 . 0 0 "[ . 1 . 2]" 1
555 1 41 VAL MG1 1 93 MET HG2 . . 4.650 4.036 3.344 4.439 . 0 0 "[ . 1 . 2]" 1
556 1 41 VAL MG1 1 93 MET HG3 . . 4.810 4.156 3.624 4.620 . 0 0 "[ . 1 . 2]" 1
557 1 41 VAL MG1 1 94 CYS H . . 4.140 3.149 2.820 3.508 . 0 0 "[ . 1 . 2]" 1
558 1 41 VAL MG1 1 94 CYS HA . . 4.480 3.674 3.093 4.244 . 0 0 "[ . 1 . 2]" 1
559 1 41 VAL MG2 1 42 TYR H . . 5.500 3.302 3.021 3.634 . 0 0 "[ . 1 . 2]" 1
560 1 41 VAL MG2 1 93 MET HB2 . . 3.990 3.577 3.022 4.076 0.086 3 0 "[ . 1 . 2]" 1
561 1 41 VAL MG2 1 93 MET ME . . 4.950 3.801 3.551 4.144 . 0 0 "[ . 1 . 2]" 1
562 1 41 VAL MG2 1 94 CYS H . . 5.500 3.264 2.977 3.674 . 0 0 "[ . 1 . 2]" 1
563 1 41 VAL MG2 1 94 CYS HA . . 3.740 2.049 1.921 2.370 . 0 0 "[ . 1 . 2]" 1
564 1 41 VAL MG2 1 95 VAL H . . 4.690 4.784 4.762 4.797 0.107 11 0 "[ . 1 . 2]" 1
565 1 41 VAL MG2 1 97 GLN H . . 4.420 3.892 3.598 4.373 . 0 0 "[ . 1 . 2]" 1
566 1 41 VAL MG2 1 97 GLN HB2 . . 4.260 2.732 2.326 3.736 . 0 0 "[ . 1 . 2]" 1
567 1 41 VAL MG2 1 97 GLN HB3 . . 4.320 2.963 2.364 3.915 . 0 0 "[ . 1 . 2]" 1
568 1 41 VAL MG2 1 97 GLN HE21 . . 5.500 5.224 3.956 5.590 0.090 5 0 "[ . 1 . 2]" 1
569 1 42 TYR H 1 42 TYR QD . . 4.050 2.715 2.430 3.321 . 0 0 "[ . 1 . 2]" 1
570 1 42 TYR H 1 62 ILE MG . . 5.500 4.848 4.030 5.362 . 0 0 "[ . 1 . 2]" 1
571 1 42 TYR H 1 63 THR H . . 5.250 4.873 4.521 5.307 0.057 15 0 "[ . 1 . 2]" 1
572 1 42 TYR H 1 63 THR HA . . 4.880 4.424 4.118 4.827 . 0 0 "[ . 1 . 2]" 1
573 1 42 TYR H 1 63 THR HB . . 4.910 4.782 4.315 4.986 0.076 15 0 "[ . 1 . 2]" 1
574 1 42 TYR H 1 63 THR HG1 . . 3.890 2.983 2.287 3.513 . 0 0 "[ . 1 . 2]" 1
575 1 42 TYR H 1 63 THR MG . . 3.860 3.519 3.097 3.783 . 0 0 "[ . 1 . 2]" 1
576 1 42 TYR HA 1 43 TYR H . . 3.100 2.252 2.154 2.337 . 0 0 "[ . 1 . 2]" 1
577 1 42 TYR HB2 1 62 ILE HB . . 4.190 3.903 3.333 4.268 0.078 4 0 "[ . 1 . 2]" 1
578 1 42 TYR HB2 1 62 ILE MG . . 3.560 2.818 2.207 3.493 . 0 0 "[ . 1 . 2]" 1
579 1 42 TYR HB2 1 63 THR H . . 5.280 4.486 4.036 4.730 . 0 0 "[ . 1 . 2]" 1
580 1 42 TYR HB3 1 43 TYR H . . 4.310 3.334 2.897 3.831 . 0 0 "[ . 1 . 2]" 1
581 1 42 TYR HB3 1 62 ILE MG . . 3.650 3.523 3.041 3.748 0.098 15 0 "[ . 1 . 2]" 1
582 1 42 TYR QD 1 63 THR HA . . 3.650 2.240 1.974 2.891 . 0 0 "[ . 1 . 2]" 1
583 1 42 TYR QD 1 63 THR MG . . 4.250 2.408 2.113 2.879 . 0 0 "[ . 1 . 2]" 1
584 1 42 TYR QE 1 63 THR HA . . 4.210 3.031 2.340 4.289 0.079 2 0 "[ . 1 . 2]" 1
585 1 42 TYR QE 1 63 THR MG . . 4.450 2.224 2.027 2.645 . 0 0 "[ . 1 . 2]" 1
586 1 42 TYR QE 1 66 GLN HB3 . . 4.180 3.946 3.150 4.270 0.090 7 0 "[ . 1 . 2]" 1
587 1 43 TYR H 1 43 TYR QD . . 4.070 2.560 2.066 3.425 . 0 0 "[ . 1 . 2]" 1
588 1 43 TYR H 1 43 TYR QE . . 5.400 4.223 3.935 4.527 . 0 0 "[ . 1 . 2]" 1
589 1 43 TYR HA 1 44 ARG H . . 3.090 2.684 2.366 2.859 . 0 0 "[ . 1 . 2]" 1
590 1 43 TYR HA 1 44 ARG QD . . 4.050 3.395 2.581 3.697 . 0 0 "[ . 1 . 2]" 1
591 1 43 TYR HB2 1 44 ARG H . . 4.660 2.060 1.897 2.329 . 0 0 "[ . 1 . 2]" 1
592 1 43 TYR QD 1 44 ARG H . . 5.240 2.843 2.436 3.439 . 0 0 "[ . 1 . 2]" 1
593 1 43 TYR QD 1 46 VAL H . . 5.500 4.269 3.573 5.362 . 0 0 "[ . 1 . 2]" 1
594 1 44 ARG H 1 44 ARG HB2 . . 3.180 2.907 2.463 3.966 0.786 19 3 "[- . 1 . +*]" 1
595 1 44 ARG H 1 44 ARG QD . . 4.410 3.018 1.919 3.717 . 0 0 "[ . 1 . 2]" 1
596 1 44 ARG H 1 46 VAL H . . 4.770 4.241 3.768 4.849 0.079 9 0 "[ . 1 . 2]" 1
597 1 44 ARG HA 1 44 ARG HG3 . . 3.610 2.894 2.228 4.257 0.647 19 3 "[- . 1 . +*]" 1
598 1 44 ARG HA 1 45 PRO HD2 . . 3.690 2.657 2.366 3.060 . 0 0 "[ . 1 . 2]" 1
599 1 44 ARG HA 1 45 PRO HD3 . . 3.320 2.489 2.105 2.925 . 0 0 "[ . 1 . 2]" 1
600 1 44 ARG HB3 1 45 PRO HD2 . . 3.980 2.541 2.131 4.117 0.137 1 0 "[ . 1 . 2]" 1
601 1 44 ARG HG2 1 45 PRO HD2 . . 4.630 3.865 3.368 5.011 0.381 18 0 "[ . 1 . 2]" 1
602 1 45 PRO HA 1 46 VAL H . . 2.850 2.361 2.184 2.646 . 0 0 "[ . 1 . 2]" 1
603 1 45 PRO HB3 1 46 VAL H . . 4.560 4.503 4.209 4.655 0.095 14 0 "[ . 1 . 2]" 1
604 1 46 VAL H 1 46 VAL HB . . 3.450 3.031 2.632 3.522 0.072 4 0 "[ . 1 . 2]" 1
605 1 46 VAL H 1 46 VAL MG1 . . 3.540 1.919 1.764 2.279 . 0 0 "[ . 1 . 2]" 1
606 1 46 VAL HA 1 46 VAL MG1 . . 3.680 3.242 3.179 3.279 . 0 0 "[ . 1 . 2]" 1
607 1 46 VAL HA 1 46 VAL MG2 . . 3.630 2.582 2.407 2.772 . 0 0 "[ . 1 . 2]" 1
608 1 46 VAL MG1 1 47 ASP H . . 4.630 2.156 1.572 2.604 . 0 0 "[ . 1 . 2]" 1
609 1 46 VAL MG1 1 47 ASP HA . . 4.090 3.790 3.388 4.195 0.105 20 0 "[ . 1 . 2]" 1
610 1 46 VAL MG1 1 98 TYR QE . . 3.610 2.945 1.995 3.743 0.133 18 0 "[ . 1 . 2]" 1
611 1 46 VAL MG2 1 47 ASP H . . 4.310 2.972 2.139 3.304 . 0 0 "[ . 1 . 2]" 1
612 1 46 VAL MG2 1 47 ASP HA . . 3.900 3.976 3.633 4.022 0.122 1 0 "[ . 1 . 2]" 1
613 1 46 VAL MG2 1 98 TYR QE . . 4.900 4.698 4.035 5.007 0.107 16 0 "[ . 1 . 2]" 1
614 1 49 TYR HB3 1 52 GLN H . . 3.700 3.437 2.425 3.779 0.079 8 0 "[ . 1 . 2]" 1
615 1 49 TYR HB3 1 52 GLN HB3 . . 2.650 2.476 2.107 2.907 0.257 13 0 "[ . 1 . 2]" 1
616 1 49 TYR HB3 1 53 ASN H . . 4.370 4.293 3.625 4.466 0.096 19 0 "[ . 1 . 2]" 1
617 1 50 SER QB 1 51 ASN QD . . 4.680 3.616 1.951 4.315 . 0 0 "[ . 1 . 2]" 1
618 1 51 ASN HA 1 52 GLN H . . 3.320 2.467 2.036 3.172 . 0 0 "[ . 1 . 2]" 1
619 1 51 ASN QD 1 95 VAL QG . . 3.800 3.462 2.749 3.701 . 0 0 "[ . 1 . 2]" 1
620 1 51 ASN QD 1 107 GLN QB . . 4.710 3.885 3.426 4.194 . 0 0 "[ . 1 . 2]" 1
621 1 51 ASN QD 1 107 GLN QG . . 3.320 2.723 2.305 3.188 . 0 0 "[ . 1 . 2]" 1
622 1 52 GLN H 1 52 GLN HB2 . . 3.560 2.939 2.412 3.628 0.068 19 0 "[ . 1 . 2]" 1
623 1 52 GLN H 1 52 GLN HB3 . . 3.670 2.624 2.309 3.164 . 0 0 "[ . 1 . 2]" 1
624 1 52 GLN H 1 53 ASN H . . 3.400 3.352 2.182 3.490 0.090 6 0 "[ . 1 . 2]" 1
625 1 52 GLN HB2 1 52 GLN HE21 . . 4.310 3.320 1.939 4.368 0.058 8 0 "[ . 1 . 2]" 1
626 1 52 GLN HB2 1 53 ASN H . . 3.620 3.370 1.863 3.696 0.076 8 0 "[ . 1 . 2]" 1
627 1 52 GLN HB3 1 53 ASN H . . 4.100 2.094 1.775 3.171 . 0 0 "[ . 1 . 2]" 1
628 1 52 GLN HB3 1 54 ASN H . . 5.500 3.996 3.486 5.185 . 0 0 "[ . 1 . 2]" 1
629 1 52 GLN QG 1 53 ASN QD . . 5.500 4.935 4.380 5.146 . 0 0 "[ . 1 . 2]" 1
630 1 53 ASN H 1 53 ASN HB2 . . 3.100 3.117 2.869 3.195 0.095 10 0 "[ . 1 . 2]" 1
631 1 53 ASN H 1 53 ASN HB3 . . 3.110 2.669 2.486 2.904 . 0 0 "[ . 1 . 2]" 1
632 1 53 ASN H 1 53 ASN QD . . 5.100 4.297 3.975 4.561 . 0 0 "[ . 1 . 2]" 1
633 1 53 ASN H 1 54 ASN H . . 4.120 2.383 2.002 3.151 . 0 0 "[ . 1 . 2]" 1
634 1 53 ASN HA 1 56 VAL QG . . 4.290 3.467 2.277 4.348 0.058 11 0 "[ . 1 . 2]" 1
635 1 53 ASN HB2 1 54 ASN H . . 3.480 3.637 3.527 3.661 0.181 7 0 "[ . 1 . 2]" 1
636 1 53 ASN HB3 1 54 ASN H . . 3.570 2.195 1.960 2.395 . 0 0 "[ . 1 . 2]" 1
637 1 53 ASN QD 1 54 ASN HB3 . . 5.500 3.936 2.566 5.259 . 0 0 "[ . 1 . 2]" 1
638 1 53 ASN QD 1 56 VAL QG . . 5.500 4.375 2.505 5.112 . 0 0 "[ . 1 . 2]" 1
639 1 53 ASN QD 1 57 ARG HB2 . . 4.870 3.597 2.322 4.609 . 0 0 "[ . 1 . 2]" 1
640 1 53 ASN QD 1 57 ARG QD . . 5.310 3.828 2.491 4.642 . 0 0 "[ . 1 . 2]" 1
641 1 54 ASN H 1 54 ASN HB2 . . 3.880 2.961 2.213 3.738 . 0 0 "[ . 1 . 2]" 1
642 1 54 ASN H 1 54 ASN HB3 . . 3.320 2.772 2.070 3.639 0.319 1 0 "[ . 1 . 2]" 1
643 1 54 ASN H 1 54 ASN HD21 . . 5.450 3.674 1.856 4.736 . 0 0 "[ . 1 . 2]" 1
644 1 54 ASN H 1 54 ASN HD22 . . 5.440 4.596 3.079 5.548 0.108 13 0 "[ . 1 . 2]" 1
645 1 54 ASN H 1 55 PHE QD . . 5.330 4.022 3.029 5.439 0.109 11 0 "[ . 1 . 2]" 1
646 1 54 ASN HA 1 54 ASN HD21 . . 4.010 3.660 2.170 4.096 0.086 15 0 "[ . 1 . 2]" 1
647 1 54 ASN HA 1 57 ARG HB2 . . 3.770 2.923 1.959 3.865 0.095 14 0 "[ . 1 . 2]" 1
648 1 54 ASN HA 1 57 ARG HB3 . . 3.330 2.614 2.083 3.422 0.092 3 0 "[ . 1 . 2]" 1
649 1 54 ASN HA 1 57 ARG QD . . 4.390 4.134 3.488 4.325 . 0 0 "[ . 1 . 2]" 1
650 1 54 ASN HD21 1 55 PHE QD . . 5.150 5.094 3.639 5.261 0.111 1 0 "[ . 1 . 2]" 1
651 1 55 PHE HZ 1 56 VAL H . . 5.500 4.862 4.133 5.582 0.082 11 0 "[ . 1 . 2]" 1
652 1 56 VAL H 1 56 VAL HB . . 4.030 2.867 2.043 3.642 . 0 0 "[ . 1 . 2]" 1
653 1 56 VAL H 1 56 VAL QG . . 3.540 2.185 1.856 2.873 . 0 0 "[ . 1 . 2]" 1
654 1 56 VAL H 1 57 ARG H . . 3.540 2.673 2.254 3.330 . 0 0 "[ . 1 . 2]" 1
655 1 56 VAL HA 1 58 ASP H . . 4.890 4.503 4.220 4.769 . 0 0 "[ . 1 . 2]" 1
656 1 56 VAL HA 1 59 CYS H . . 4.070 3.642 3.293 4.122 0.052 3 0 "[ . 1 . 2]" 1
657 1 56 VAL HA 1 59 CYS QB . . 3.680 2.784 2.443 3.548 . 0 0 "[ . 1 . 2]" 1
658 1 56 VAL HA 1 60 VAL H . . 5.310 3.892 3.462 4.313 . 0 0 "[ . 1 . 2]" 1
659 1 56 VAL HB 1 57 ARG H . . 4.770 3.533 2.902 4.037 . 0 0 "[ . 1 . 2]" 1
660 1 56 VAL QG 1 58 ASP H . . 4.490 4.295 3.789 4.420 . 0 0 "[ . 1 . 2]" 1
661 1 56 VAL QG 1 91 GLU HA . . 3.450 2.813 2.001 3.503 0.053 8 0 "[ . 1 . 2]" 1
662 1 56 VAL QG 1 91 GLU HG2 . . 2.900 2.821 2.258 3.259 0.359 3 0 "[ . 1 . 2]" 1
663 1 57 ARG H 1 57 ARG HB2 . . 3.530 2.339 2.022 3.454 . 0 0 "[ . 1 . 2]" 1
664 1 57 ARG H 1 57 ARG HB3 . . 3.460 2.875 2.176 3.528 0.068 18 0 "[ . 1 . 2]" 1
665 1 57 ARG H 1 58 ASP H . . 4.770 2.900 2.605 3.199 . 0 0 "[ . 1 . 2]" 1
666 1 57 ARG HA 1 57 ARG QD . . 3.540 2.986 2.197 3.485 . 0 0 "[ . 1 . 2]" 1
667 1 57 ARG HA 1 57 ARG HE . . 4.920 4.610 2.518 4.998 0.078 13 0 "[ . 1 . 2]" 1
668 1 57 ARG HA 1 60 VAL H . . 4.370 3.741 3.211 4.013 . 0 0 "[ . 1 . 2]" 1
669 1 57 ARG HA 1 60 VAL MG2 . . 3.480 3.402 3.038 3.584 0.104 16 0 "[ . 1 . 2]" 1
670 1 57 ARG HA 1 61 ASN H . . 4.640 4.229 3.537 4.705 0.065 10 0 "[ . 1 . 2]" 1
671 1 57 ARG HB2 1 58 ASP H . . 4.080 3.556 2.670 4.139 0.059 14 0 "[ . 1 . 2]" 1
672 1 57 ARG HB3 1 58 ASP H . . 3.970 2.766 2.289 3.558 . 0 0 "[ . 1 . 2]" 1
673 1 57 ARG QD 1 57 ARG HG3 . . 2.740 2.341 2.152 2.494 . 0 0 "[ . 1 . 2]" 1
674 1 57 ARG QD 1 61 ASN QD . . 4.320 3.231 1.823 4.049 . 0 0 "[ . 1 . 2]" 1
675 1 57 ARG HG2 1 61 ASN QD . . 5.500 3.972 2.605 5.180 . 0 0 "[ . 1 . 2]" 1
676 1 58 ASP H 1 58 ASP HB2 . . 3.350 2.532 2.113 3.699 0.349 17 0 "[ . 1 . 2]" 1
677 1 58 ASP H 1 59 CYS H . . 4.260 2.607 2.103 2.895 . 0 0 "[ . 1 . 2]" 1
678 1 58 ASP H 1 59 CYS QB . . 5.500 4.331 4.073 4.562 . 0 0 "[ . 1 . 2]" 1
679 1 58 ASP H 1 60 VAL H . . 5.340 4.206 3.582 4.586 . 0 0 "[ . 1 . 2]" 1
680 1 58 ASP HA 1 60 VAL H . . 5.490 4.612 3.991 4.925 . 0 0 "[ . 1 . 2]" 1
681 1 58 ASP HA 1 61 ASN H . . 4.090 3.449 2.723 4.048 . 0 0 "[ . 1 . 2]" 1
682 1 58 ASP HA 1 61 ASN QB . . 3.580 2.883 2.127 3.604 0.024 16 0 "[ . 1 . 2]" 1
683 1 58 ASP HA 1 61 ASN QD . . 4.530 2.703 1.844 4.045 . 0 0 "[ . 1 . 2]" 1
684 1 58 ASP HA 1 62 ILE H . . 5.500 4.218 3.862 4.904 . 0 0 "[ . 1 . 2]" 1
685 1 59 CYS H 1 59 CYS QB . . 3.380 2.248 2.099 2.477 . 0 0 "[ . 1 . 2]" 1
686 1 59 CYS H 1 60 VAL H . . 3.790 2.628 2.023 2.925 . 0 0 "[ . 1 . 2]" 1
687 1 59 CYS H 1 60 VAL MG2 . . 5.180 4.271 3.739 4.766 . 0 0 "[ . 1 . 2]" 1
688 1 59 CYS H 1 61 ASN H . . 4.740 4.012 3.065 4.494 . 0 0 "[ . 1 . 2]" 1
689 1 59 CYS H 1 61 ASN QD . . 5.320 4.992 4.482 5.233 . 0 0 "[ . 1 . 2]" 1
690 1 59 CYS QB 1 60 VAL H . . 3.920 2.508 2.266 2.669 . 0 0 "[ . 1 . 2]" 1
691 1 60 VAL H 1 60 VAL HB . . 3.110 2.419 2.138 2.708 . 0 0 "[ . 1 . 2]" 1
692 1 60 VAL H 1 60 VAL MG1 . . 3.830 3.755 3.633 3.839 0.009 16 0 "[ . 1 . 2]" 1
693 1 60 VAL H 1 60 VAL MG2 . . 3.020 2.243 2.047 2.551 . 0 0 "[ . 1 . 2]" 1
694 1 60 VAL H 1 61 ASN H . . 3.510 2.855 2.715 3.131 . 0 0 "[ . 1 . 2]" 1
695 1 60 VAL H 1 61 ASN QB . . 5.500 4.887 4.526 5.306 . 0 0 "[ . 1 . 2]" 1
696 1 60 VAL H 1 90 VAL MG1 . . 4.700 4.144 3.771 4.537 . 0 0 "[ . 1 . 2]" 1
697 1 60 VAL HA 1 60 VAL MG1 . . 3.040 2.536 2.396 2.723 . 0 0 "[ . 1 . 2]" 1
698 1 60 VAL HA 1 60 VAL MG2 . . 3.350 2.409 2.221 2.541 . 0 0 "[ . 1 . 2]" 1
699 1 60 VAL HA 1 63 THR H . . 4.240 3.613 3.337 4.015 . 0 0 "[ . 1 . 2]" 1
700 1 60 VAL HA 1 63 THR HB . . 3.980 2.841 2.517 3.596 . 0 0 "[ . 1 . 2]" 1
701 1 60 VAL HA 1 90 VAL MG1 . . 2.990 2.185 1.922 2.455 . 0 0 "[ . 1 . 2]" 1
702 1 60 VAL HB 1 61 ASN H . . 3.240 2.811 2.481 3.261 0.021 10 0 "[ . 1 . 2]" 1
703 1 60 VAL MG1 1 61 ASN H . . 4.140 3.490 3.138 3.844 . 0 0 "[ . 1 . 2]" 1
704 1 60 VAL MG1 1 61 ASN HA . . 3.910 3.571 3.191 3.926 0.016 6 0 "[ . 1 . 2]" 1
705 1 60 VAL MG1 1 87 GLU HA . . 3.690 2.605 2.185 3.627 . 0 0 "[ . 1 . 2]" 1
706 1 60 VAL MG1 1 87 GLU HB2 . . 4.350 3.258 2.704 4.181 . 0 0 "[ . 1 . 2]" 1
707 1 60 VAL MG1 1 87 GLU HG2 . . 4.170 3.724 2.975 4.079 . 0 0 "[ . 1 . 2]" 1
708 1 60 VAL MG1 1 87 GLU HG3 . . 4.170 2.253 1.995 2.620 . 0 0 "[ . 1 . 2]" 1
709 1 60 VAL MG1 1 90 VAL MG1 . . 3.260 2.841 2.314 3.377 0.117 17 0 "[ . 1 . 2]" 1
710 1 60 VAL MG1 1 91 GLU HB3 . . 4.610 4.704 4.682 4.724 0.114 17 0 "[ . 1 . 2]" 1
711 1 60 VAL MG2 1 61 ASN H . . 4.600 4.086 3.887 4.355 . 0 0 "[ . 1 . 2]" 1
712 1 60 VAL MG2 1 87 GLU HA . . 3.670 3.650 3.312 3.797 0.127 7 0 "[ . 1 . 2]" 1
713 1 60 VAL MG2 1 87 GLU HG2 . . 4.350 4.340 3.930 4.452 0.102 5 0 "[ . 1 . 2]" 1
714 1 60 VAL MG2 1 87 GLU HG3 . . 4.480 3.221 2.669 3.538 . 0 0 "[ . 1 . 2]" 1
715 1 60 VAL MG2 1 90 VAL MG1 . . 2.520 2.294 2.109 2.595 0.075 2 0 "[ . 1 . 2]" 1
716 1 60 VAL MG2 1 91 GLU H . . 4.120 2.889 2.553 3.235 . 0 0 "[ . 1 . 2]" 1
717 1 60 VAL MG2 1 91 GLU HA . . 2.800 2.214 2.015 2.457 . 0 0 "[ . 1 . 2]" 1
718 1 60 VAL MG2 1 91 GLU HB2 . . 4.070 2.176 2.062 2.286 . 0 0 "[ . 1 . 2]" 1
719 1 60 VAL MG2 1 91 GLU HB3 . . 3.990 3.532 3.365 3.652 . 0 0 "[ . 1 . 2]" 1
720 1 61 ASN H 1 61 ASN QB . . 3.130 2.469 2.249 2.710 . 0 0 "[ . 1 . 2]" 1
721 1 61 ASN H 1 61 ASN QD . . 3.550 2.727 2.284 3.355 . 0 0 "[ . 1 . 2]" 1
722 1 61 ASN H 1 62 ILE H . . 3.800 2.812 2.395 3.035 . 0 0 "[ . 1 . 2]" 1
723 1 61 ASN H 1 62 ILE HB . . 4.980 4.984 4.695 5.060 0.080 17 0 "[ . 1 . 2]" 1
724 1 61 ASN HA 1 64 VAL H . . 4.150 3.888 3.625 4.229 0.079 6 0 "[ . 1 . 2]" 1
725 1 61 ASN HA 1 64 VAL HB . . 4.070 3.427 2.368 4.152 0.082 10 0 "[ . 1 . 2]" 1
726 1 61 ASN HA 1 64 VAL QG . . 4.430 3.133 2.105 4.156 . 0 0 "[ . 1 . 2]" 1
727 1 61 ASN HA 1 65 LYS H . . 4.670 4.002 3.771 4.263 . 0 0 "[ . 1 . 2]" 1
728 1 61 ASN QB 1 62 ILE H . . 3.560 2.495 2.041 2.893 . 0 0 "[ . 1 . 2]" 1
729 1 61 ASN QD 1 62 ILE MD . . 5.360 4.420 4.051 4.913 . 0 0 "[ . 1 . 2]" 1
730 1 62 ILE H 1 62 ILE HB . . 3.110 2.461 2.107 2.833 . 0 0 "[ . 1 . 2]" 1
731 1 62 ILE H 1 62 ILE MD . . 4.220 2.585 2.111 3.658 . 0 0 "[ . 1 . 2]" 1
732 1 62 ILE H 1 62 ILE HG12 . . 3.940 2.748 1.941 4.055 0.115 9 0 "[ . 1 . 2]" 1
733 1 62 ILE H 1 62 ILE HG13 . . 3.970 3.725 3.297 4.043 0.073 20 0 "[ . 1 . 2]" 1
734 1 62 ILE H 1 62 ILE MG . . 3.880 3.739 3.549 3.851 . 0 0 "[ . 1 . 2]" 1
735 1 62 ILE H 1 63 THR H . . 4.060 2.742 2.205 3.025 . 0 0 "[ . 1 . 2]" 1
736 1 62 ILE H 1 64 VAL H . . 5.060 4.417 3.929 4.685 . 0 0 "[ . 1 . 2]" 1
737 1 62 ILE HA 1 62 ILE MD . . 3.130 2.361 2.041 3.218 0.088 4 0 "[ . 1 . 2]" 1
738 1 62 ILE HA 1 62 ILE HG12 . . 4.160 3.490 2.909 3.798 . 0 0 "[ . 1 . 2]" 1
739 1 62 ILE HA 1 62 ILE HG13 . . 3.870 3.387 2.096 3.861 . 0 0 "[ . 1 . 2]" 1
740 1 62 ILE HA 1 62 ILE MG . . 3.480 2.446 2.268 2.762 . 0 0 "[ . 1 . 2]" 1
741 1 62 ILE HA 1 65 LYS H . . 3.980 3.287 2.971 3.612 . 0 0 "[ . 1 . 2]" 1
742 1 62 ILE HA 1 65 LYS HB2 . . 3.360 2.300 1.955 3.493 0.133 7 0 "[ . 1 . 2]" 1
743 1 62 ILE HA 1 65 LYS HB3 . . 3.390 3.325 2.097 3.480 0.090 17 0 "[ . 1 . 2]" 1
744 1 62 ILE HA 1 65 LYS QD . . 4.050 3.237 2.222 4.146 0.096 14 0 "[ . 1 . 2]" 1
745 1 62 ILE HA 1 65 LYS QE . . 4.340 3.690 2.198 4.442 0.102 11 0 "[ . 1 . 2]" 1
746 1 62 ILE HA 1 66 GLN H . . 4.950 3.962 3.473 4.520 . 0 0 "[ . 1 . 2]" 1
747 1 62 ILE HB 1 62 ILE MD . . 3.400 3.037 2.143 3.299 . 0 0 "[ . 1 . 2]" 1
748 1 62 ILE HB 1 63 THR H . . 3.350 2.791 2.455 3.223 . 0 0 "[ . 1 . 2]" 1
749 1 62 ILE MD 1 62 ILE MG . . 2.710 2.534 2.115 2.874 0.164 9 0 "[ . 1 . 2]" 1
750 1 62 ILE MD 1 63 THR H . . 5.500 4.528 4.313 5.001 . 0 0 "[ . 1 . 2]" 1
751 1 62 ILE MD 1 65 LYS H . . 5.500 4.884 4.530 5.516 0.016 4 0 "[ . 1 . 2]" 1
752 1 62 ILE MD 1 65 LYS QD . . 4.550 3.256 2.177 4.672 0.122 9 0 "[ . 1 . 2]" 1
753 1 62 ILE MD 1 65 LYS QE . . 4.000 3.243 2.082 4.132 0.132 19 0 "[ . 1 . 2]" 1
754 1 62 ILE MG 1 63 THR H . . 3.700 3.513 3.225 3.765 0.065 11 0 "[ . 1 . 2]" 1
755 1 62 ILE MG 1 63 THR HA . . 4.630 3.550 3.151 4.144 . 0 0 "[ . 1 . 2]" 1
756 1 62 ILE MG 1 63 THR HG1 . . 4.540 4.145 3.289 4.625 0.085 17 0 "[ . 1 . 2]" 1
757 1 62 ILE MG 1 64 VAL H . . 5.500 5.284 5.061 5.523 0.023 5 0 "[ . 1 . 2]" 1
758 1 62 ILE MG 1 66 GLN H . . 5.500 3.914 3.565 4.375 . 0 0 "[ . 1 . 2]" 1
759 1 62 ILE MG 1 66 GLN HB2 . . 4.590 4.132 3.623 4.671 0.081 18 0 "[ . 1 . 2]" 1
760 1 62 ILE MG 1 66 GLN HE22 . . 4.770 3.317 1.729 4.487 . 0 0 "[ . 1 . 2]" 1
761 1 62 ILE MG 1 66 GLN HG2 . . 4.780 3.809 2.465 4.742 . 0 0 "[ . 1 . 2]" 1
762 1 62 ILE MG 1 66 GLN HG3 . . 4.450 3.073 2.354 4.562 0.112 3 0 "[ . 1 . 2]" 1
763 1 63 THR H 1 63 THR HB . . 3.230 2.527 2.386 2.775 . 0 0 "[ . 1 . 2]" 1
764 1 63 THR H 1 63 THR HG1 . . 3.330 2.207 1.973 3.181 . 0 0 "[ . 1 . 2]" 1
765 1 63 THR H 1 63 THR MG . . 4.080 3.753 3.708 3.792 . 0 0 "[ . 1 . 2]" 1
766 1 63 THR H 1 64 VAL H . . 3.540 2.834 2.659 2.984 . 0 0 "[ . 1 . 2]" 1
767 1 63 THR H 1 64 VAL HB . . 5.210 4.892 4.502 5.267 0.057 8 0 "[ . 1 . 2]" 1
768 1 63 THR H 1 64 VAL QG . . 5.500 4.297 3.991 4.554 . 0 0 "[ . 1 . 2]" 1
769 1 63 THR H 1 90 VAL MG1 . . 4.310 4.031 3.789 4.225 . 0 0 "[ . 1 . 2]" 1
770 1 63 THR HA 1 63 THR MG . . 3.370 2.389 2.280 2.501 . 0 0 "[ . 1 . 2]" 1
771 1 63 THR HA 1 66 GLN HE21 . . 3.900 3.501 2.687 3.959 0.059 18 0 "[ . 1 . 2]" 1
772 1 63 THR HB 1 64 VAL QG . . 4.640 3.668 3.134 4.453 . 0 0 "[ . 1 . 2]" 1
773 1 63 THR HB 1 90 VAL MG1 . . 3.360 2.097 1.984 2.276 . 0 0 "[ . 1 . 2]" 1
774 1 63 THR HB 1 90 VAL MG2 . . 4.020 3.697 3.270 4.058 0.038 7 0 "[ . 1 . 2]" 1
775 1 63 THR HG1 1 64 VAL H . . 4.740 4.249 4.004 4.824 0.084 10 0 "[ . 1 . 2]" 1
776 1 63 THR HG1 1 90 VAL MG1 . . 4.300 3.419 3.039 4.057 . 0 0 "[ . 1 . 2]" 1
777 1 63 THR MG 1 64 VAL H . . 4.260 3.566 3.359 3.895 . 0 0 "[ . 1 . 2]" 1
778 1 63 THR MG 1 64 VAL HA . . 4.390 3.807 3.525 4.044 . 0 0 "[ . 1 . 2]" 1
779 1 63 THR MG 1 64 VAL QG . . 5.160 3.884 3.315 4.518 . 0 0 "[ . 1 . 2]" 1
780 1 63 THR MG 1 66 GLN HE21 . . 4.440 4.514 4.422 4.549 0.109 17 0 "[ . 1 . 2]" 1
781 1 63 THR MG 1 90 VAL HB . . 4.300 4.222 3.977 4.397 0.097 17 0 "[ . 1 . 2]" 1
782 1 63 THR MG 1 90 VAL MG1 . . 3.850 2.066 1.932 2.253 . 0 0 "[ . 1 . 2]" 1
783 1 64 VAL H 1 64 VAL HB . . 3.070 2.343 2.114 2.758 . 0 0 "[ . 1 . 2]" 1
784 1 64 VAL H 1 64 VAL QG . . 3.040 2.290 1.954 2.560 . 0 0 "[ . 1 . 2]" 1
785 1 64 VAL H 1 65 LYS H . . 3.550 2.750 2.500 3.009 . 0 0 "[ . 1 . 2]" 1
786 1 64 VAL H 1 67 HIS H . . 5.360 5.107 4.694 5.336 . 0 0 "[ . 1 . 2]" 1
787 1 64 VAL HA 1 64 VAL QG . . 3.170 2.139 2.092 2.192 . 0 0 "[ . 1 . 2]" 1
788 1 64 VAL HA 1 67 HIS H . . 4.340 3.480 3.155 3.764 . 0 0 "[ . 1 . 2]" 1
789 1 64 VAL HA 1 67 HIS HB2 . . 3.940 2.984 2.338 3.863 . 0 0 "[ . 1 . 2]" 1
790 1 64 VAL HA 1 68 THR H . . 5.340 3.961 2.791 4.460 . 0 0 "[ . 1 . 2]" 1
791 1 64 VAL HA 1 83 MET ME . . 4.430 4.190 3.714 4.499 0.069 19 0 "[ . 1 . 2]" 1
792 1 64 VAL HA 1 86 MET ME . . 4.590 4.008 2.161 4.691 0.101 9 0 "[ . 1 . 2]" 1
793 1 64 VAL HB 1 65 LYS H . . 3.750 3.061 2.553 3.832 0.082 9 0 "[ . 1 . 2]" 1
794 1 64 VAL QG 1 65 LYS H . . 4.010 2.914 2.293 3.439 . 0 0 "[ . 1 . 2]" 1
795 1 64 VAL QG 1 65 LYS HA . . 4.380 3.409 2.627 3.967 . 0 0 "[ . 1 . 2]" 1
796 1 64 VAL QG 1 65 LYS HG3 . . 4.860 3.851 2.673 4.876 0.016 1 0 "[ . 1 . 2]" 1
797 1 64 VAL QG 1 67 HIS H . . 5.500 4.098 3.888 4.265 . 0 0 "[ . 1 . 2]" 1
798 1 64 VAL QG 1 68 THR H . . 5.050 3.537 3.208 3.790 . 0 0 "[ . 1 . 2]" 1
799 1 64 VAL QG 1 68 THR MG . . 3.550 2.344 1.932 3.594 0.044 7 0 "[ . 1 . 2]" 1
800 1 64 VAL QG 1 83 MET ME . . 3.180 2.134 1.845 3.078 . 0 0 "[ . 1 . 2]" 1
801 1 64 VAL QG 1 86 MET ME . . 3.050 2.725 1.935 3.165 0.115 10 0 "[ . 1 . 2]" 1
802 1 65 LYS H 1 65 LYS HB2 . . 3.170 2.312 2.132 3.225 0.055 7 0 "[ . 1 . 2]" 1
803 1 65 LYS H 1 65 LYS HG2 . . 3.980 3.881 2.535 4.369 0.389 14 0 "[ . 1 . 2]" 1
804 1 65 LYS H 1 65 LYS HG3 . . 4.770 3.000 2.540 4.206 . 0 0 "[ . 1 . 2]" 1
805 1 65 LYS H 1 66 GLN H . . 3.700 2.902 2.697 3.081 . 0 0 "[ . 1 . 2]" 1
806 1 65 LYS HA 1 65 LYS HB2 . . 3.020 2.898 2.294 3.032 0.012 13 0 "[ . 1 . 2]" 1
807 1 65 LYS HA 1 65 LYS HG2 . . 4.170 2.514 2.148 4.206 0.036 7 0 "[ . 1 . 2]" 1
808 1 65 LYS HA 1 65 LYS HG3 . . 3.800 2.787 2.466 3.742 . 0 0 "[ . 1 . 2]" 1
809 1 65 LYS HA 1 68 THR H . . 4.150 3.219 2.801 4.232 0.082 17 0 "[ . 1 . 2]" 1
810 1 65 LYS HA 1 68 THR MG . . 4.400 3.248 2.324 3.950 . 0 0 "[ . 1 . 2]" 1
811 1 65 LYS HB2 1 66 GLN H . . 3.960 3.173 2.361 4.338 0.378 7 0 "[ . 1 . 2]" 1
812 1 65 LYS HB3 1 65 LYS QE . . 4.090 3.147 2.009 4.161 0.071 5 0 "[ . 1 . 2]" 1
813 1 66 GLN H 1 66 GLN HB2 . . 3.200 2.395 2.168 2.663 . 0 0 "[ . 1 . 2]" 1
814 1 66 GLN H 1 66 GLN HB3 . . 3.720 3.583 3.453 3.683 . 0 0 "[ . 1 . 2]" 1
815 1 66 GLN H 1 66 GLN HG2 . . 4.180 3.457 2.191 4.254 0.074 2 0 "[ . 1 . 2]" 1
816 1 66 GLN H 1 66 GLN HG3 . . 3.660 2.915 2.362 3.741 0.081 3 0 "[ . 1 . 2]" 1
817 1 66 GLN H 1 67 HIS H . . 3.810 2.738 2.176 3.031 . 0 0 "[ . 1 . 2]" 1
818 1 66 GLN H 1 67 HIS HB2 . . 5.450 4.725 3.934 5.120 . 0 0 "[ . 1 . 2]" 1
819 1 66 GLN H 1 68 THR H . . 4.390 4.324 3.951 4.459 0.069 13 0 "[ . 1 . 2]" 1
820 1 66 GLN HA 1 66 GLN HE21 . . 5.240 4.861 4.505 5.258 0.018 12 0 "[ . 1 . 2]" 1
821 1 66 GLN HA 1 66 GLN HG2 . . 4.140 2.607 2.138 3.550 . 0 0 "[ . 1 . 2]" 1
822 1 66 GLN HA 1 66 GLN HG3 . . 3.940 3.018 2.105 3.884 . 0 0 "[ . 1 . 2]" 1
823 1 66 GLN HB2 1 66 GLN HE21 . . 4.430 2.764 2.115 3.629 . 0 0 "[ . 1 . 2]" 1
824 1 66 GLN HB2 1 67 HIS H . . 4.280 3.557 2.704 3.917 . 0 0 "[ . 1 . 2]" 1
825 1 66 GLN HB3 1 66 GLN HE21 . . 4.430 3.138 2.330 4.266 . 0 0 "[ . 1 . 2]" 1
826 1 66 GLN HB3 1 66 GLN HE22 . . 5.470 4.141 3.663 5.293 . 0 0 "[ . 1 . 2]" 1
827 1 66 GLN HB3 1 67 HIS H . . 4.330 4.191 3.773 4.396 0.066 4 0 "[ . 1 . 2]" 1
828 1 67 HIS H 1 67 HIS HB2 . . 3.130 2.506 2.134 2.896 . 0 0 "[ . 1 . 2]" 1
829 1 67 HIS H 1 68 THR HB . . 5.500 5.443 4.352 5.590 0.090 18 0 "[ . 1 . 2]" 1
830 1 67 HIS H 1 68 THR MG . . 5.500 4.085 3.641 5.597 0.097 6 0 "[ . 1 . 2]" 1
831 1 67 HIS HA 1 67 HIS HD2 . . 3.780 2.955 2.189 3.843 0.063 14 0 "[ . 1 . 2]" 1
832 1 67 HIS HA 1 70 THR H . . 4.530 3.376 2.753 3.909 . 0 0 "[ . 1 . 2]" 1
833 1 67 HIS HA 1 70 THR HB . . 4.120 2.302 1.902 3.543 . 0 0 "[ . 1 . 2]" 1
834 1 67 HIS HA 1 71 THR H . . 5.120 4.042 3.548 5.198 0.078 17 0 "[ . 1 . 2]" 1
835 1 67 HIS HB2 1 68 THR H . . 3.820 3.311 2.571 3.899 0.079 2 0 "[ . 1 . 2]" 1
836 1 67 HIS HB3 1 68 THR MG . . 4.560 4.148 3.104 4.656 0.096 10 0 "[ . 1 . 2]" 1
837 1 68 THR H 1 68 THR HB . . 3.520 3.365 2.038 3.597 0.077 2 0 "[ . 1 . 2]" 1
838 1 68 THR H 1 68 THR MG . . 3.510 2.474 2.161 3.497 . 0 0 "[ . 1 . 2]" 1
839 1 68 THR HA 1 68 THR MG . . 3.080 2.397 2.111 3.177 0.097 10 0 "[ . 1 . 2]" 1
840 1 68 THR HA 1 69 VAL H . . 3.560 3.595 3.522 3.625 0.065 2 0 "[ . 1 . 2]" 1
841 1 68 THR HB 1 69 VAL H . . 3.640 3.525 2.879 3.710 0.070 11 0 "[ . 1 . 2]" 1
842 1 68 THR HB 1 69 VAL MG2 . . 4.450 4.200 3.398 4.563 0.113 10 0 "[ . 1 . 2]" 1
843 1 68 THR MG 1 69 VAL H . . 4.070 3.887 2.278 4.175 0.105 4 0 "[ . 1 . 2]" 1
844 1 68 THR MG 1 78 PHE QD . . 3.910 3.347 2.240 4.008 0.098 10 0 "[ . 1 . 2]" 1
845 1 69 VAL H 1 69 VAL HB . . 3.010 2.657 2.446 2.839 . 0 0 "[ . 1 . 2]" 1
846 1 69 VAL H 1 69 VAL MG2 . . 2.900 2.125 1.871 2.471 . 0 0 "[ . 1 . 2]" 1
847 1 69 VAL HA 1 69 VAL HB . . 3.020 3.033 3.006 3.051 0.031 7 0 "[ . 1 . 2]" 1
848 1 69 VAL HA 1 69 VAL MG1 . . 3.000 2.303 2.169 2.473 . 0 0 "[ . 1 . 2]" 1
849 1 69 VAL HA 1 69 VAL MG2 . . 2.820 2.457 2.297 2.604 . 0 0 "[ . 1 . 2]" 1
850 1 69 VAL HA 1 70 THR H . . 3.560 3.602 3.570 3.628 0.068 12 0 "[ . 1 . 2]" 1
851 1 69 VAL HA 1 71 THR H . . 4.700 4.527 4.259 4.670 . 0 0 "[ . 1 . 2]" 1
852 1 69 VAL HA 1 72 THR HB . . 3.970 2.367 1.945 2.763 . 0 0 "[ . 1 . 2]" 1
853 1 69 VAL HA 1 73 THR H . . 5.360 4.037 3.280 4.891 . 0 0 "[ . 1 . 2]" 1
854 1 69 VAL HB 1 70 THR H . . 3.270 2.603 2.503 2.852 . 0 0 "[ . 1 . 2]" 1
855 1 69 VAL HB 1 70 THR HA . . 4.150 4.223 4.194 4.239 0.089 10 0 "[ . 1 . 2]" 1
856 1 69 VAL HB 1 71 THR H . . 5.390 5.267 5.014 5.404 0.014 3 0 "[ . 1 . 2]" 1
857 1 69 VAL MG1 1 70 THR H . . 3.530 3.558 3.393 3.606 0.076 4 0 "[ . 1 . 2]" 1
858 1 69 VAL MG1 1 70 THR HA . . 3.820 3.683 3.365 3.916 0.096 4 0 "[ . 1 . 2]" 1
859 1 69 VAL MG1 1 72 THR H . . 4.560 4.653 4.523 4.675 0.115 9 0 "[ . 1 . 2]" 1
860 1 69 VAL MG1 1 72 THR MG . . 4.080 3.926 3.338 4.181 0.101 17 0 "[ . 1 . 2]" 1
861 1 70 THR H 1 70 THR HB . . 3.030 2.241 1.971 2.422 . 0 0 "[ . 1 . 2]" 1
862 1 70 THR H 1 70 THR MG . . 3.780 3.656 3.392 3.792 0.012 13 0 "[ . 1 . 2]" 1
863 1 70 THR H 1 72 THR HB . . 5.500 5.110 4.799 5.436 . 0 0 "[ . 1 . 2]" 1
864 1 70 THR HA 1 70 THR MG . . 2.900 2.755 2.595 2.989 0.089 19 0 "[ . 1 . 2]" 1
865 1 70 THR MG 1 71 THR H . . 2.890 2.797 2.457 2.970 0.080 17 0 "[ . 1 . 2]" 1
866 1 70 THR MG 1 71 THR HB . . 4.580 4.663 4.343 4.695 0.115 10 0 "[ . 1 . 2]" 1
867 1 70 THR MG 1 71 THR MG . . 2.960 2.613 2.227 3.110 0.150 16 0 "[ . 1 . 2]" 1
868 1 71 THR H 1 71 THR HA . . 2.860 2.856 2.781 2.928 0.068 17 0 "[ . 1 . 2]" 1
869 1 71 THR H 1 71 THR MG . . 3.610 2.509 2.271 3.590 . 0 0 "[ . 1 . 2]" 1
870 1 71 THR H 1 72 THR H . . 3.130 2.645 2.477 2.793 . 0 0 "[ . 1 . 2]" 1
871 1 71 THR H 1 72 THR HB . . 4.960 4.799 4.497 4.986 0.026 9 0 "[ . 1 . 2]" 1
872 1 71 THR HA 1 71 THR MG . . 3.210 2.258 2.007 2.394 . 0 0 "[ . 1 . 2]" 1
873 1 71 THR HA 1 72 THR H . . 3.590 3.522 3.412 3.600 0.010 7 0 "[ . 1 . 2]" 1
874 1 71 THR HA 1 74 LYS H . . 3.020 3.090 3.047 3.110 0.090 17 0 "[ . 1 . 2]" 1
875 1 71 THR HA 1 74 LYS HB2 . . 3.510 2.446 2.153 2.919 . 0 0 "[ . 1 . 2]" 1
876 1 71 THR HA 1 74 LYS HB3 . . 4.450 4.100 3.790 4.531 0.081 17 0 "[ . 1 . 2]" 1
877 1 71 THR HA 1 75 GLY H . . 4.470 3.518 2.934 4.442 . 0 0 "[ . 1 . 2]" 1
878 1 71 THR HB 1 72 THR H . . 3.420 3.474 3.143 3.519 0.099 4 0 "[ . 1 . 2]" 1
879 1 71 THR HB 1 76 GLU H . . 4.270 3.235 2.507 4.346 0.076 12 0 "[ . 1 . 2]" 1
880 1 71 THR HB 1 76 GLU HB2 . . 3.680 3.539 2.451 4.459 0.779 15 2 "[ . 1 - + 2]" 1
881 1 71 THR HB 1 76 GLU QG . . 4.250 3.526 1.993 4.340 0.090 16 0 "[ . 1 . 2]" 1
882 1 71 THR HB 1 77 ASN H . . 4.790 4.543 3.670 4.880 0.090 4 0 "[ . 1 . 2]" 1
883 1 71 THR MG 1 72 THR H . . 4.020 4.071 3.939 4.148 0.128 12 0 "[ . 1 . 2]" 1
884 1 71 THR MG 1 74 LYS HG3 . . 4.910 4.534 3.250 4.994 0.084 2 0 "[ . 1 . 2]" 1
885 1 71 THR MG 1 76 GLU H . . 4.690 4.264 3.617 4.763 0.073 8 0 "[ . 1 . 2]" 1
886 1 71 THR MG 1 76 GLU HB2 . . 4.280 3.259 2.111 4.278 . 0 0 "[ . 1 . 2]" 1
887 1 71 THR MG 1 76 GLU HB3 . . 4.330 2.602 2.086 4.418 0.088 1 0 "[ . 1 . 2]" 1
888 1 71 THR MG 1 77 ASN H . . 4.870 4.488 3.093 4.971 0.101 4 0 "[ . 1 . 2]" 1
889 1 72 THR H 1 72 THR HB . . 2.910 2.525 2.329 2.733 . 0 0 "[ . 1 . 2]" 1
890 1 72 THR H 1 72 THR MG . . 3.680 3.761 3.691 3.783 0.103 4 0 "[ . 1 . 2]" 1
891 1 72 THR H 1 73 THR H . . 2.920 2.778 2.581 2.914 . 0 0 "[ . 1 . 2]" 1
892 1 72 THR HA 1 72 THR MG . . 3.210 2.452 2.344 2.646 . 0 0 "[ . 1 . 2]" 1
893 1 72 THR HA 1 76 GLU H . . 4.230 3.995 2.908 4.320 0.090 5 0 "[ . 1 . 2]" 1
894 1 72 THR HB 1 73 THR H . . 3.050 2.847 2.591 3.117 0.067 8 0 "[ . 1 . 2]" 1
895 1 73 THR H 1 73 THR MG . . 3.610 3.635 3.401 3.693 0.083 4 0 "[ . 1 . 2]" 1
896 1 73 THR H 1 74 LYS H . . 3.200 2.545 2.266 2.734 . 0 0 "[ . 1 . 2]" 1
897 1 73 THR H 1 74 LYS HG3 . . 4.990 4.909 4.277 5.070 0.080 12 0 "[ . 1 . 2]" 1
898 1 73 THR HA 1 74 LYS H . . 3.370 3.446 3.392 3.465 0.095 19 0 "[ . 1 . 2]" 1
899 1 73 THR HB 1 74 LYS H . . 3.470 3.118 2.506 3.542 0.072 12 0 "[ . 1 . 2]" 1
900 1 73 THR HB 1 74 LYS HG2 . . 4.480 3.319 2.644 4.177 . 0 0 "[ . 1 . 2]" 1
901 1 73 THR MG 1 74 LYS H . . 3.900 3.595 2.959 3.978 0.078 16 0 "[ . 1 . 2]" 1
902 1 73 THR MG 1 74 LYS HG2 . . 2.400 2.484 2.388 2.502 0.102 4 0 "[ . 1 . 2]" 1
903 1 74 LYS H 1 74 LYS HB2 . . 3.180 2.443 2.329 2.619 . 0 0 "[ . 1 . 2]" 1
904 1 74 LYS H 1 74 LYS HB3 . . 3.810 3.655 3.589 3.740 . 0 0 "[ . 1 . 2]" 1
905 1 74 LYS H 1 74 LYS HG2 . . 4.450 3.024 2.603 3.311 . 0 0 "[ . 1 . 2]" 1
906 1 74 LYS H 1 74 LYS HG3 . . 3.840 3.474 2.591 3.912 0.072 16 0 "[ . 1 . 2]" 1
907 1 74 LYS H 1 75 GLY H . . 3.330 2.598 2.099 3.397 0.067 2 0 "[ . 1 . 2]" 1
908 1 74 LYS HA 1 74 LYS HB3 . . 2.950 2.525 2.394 2.593 . 0 0 "[ . 1 . 2]" 1
909 1 74 LYS HA 1 75 GLY H . . 3.520 3.502 3.157 3.580 0.060 8 0 "[ . 1 . 2]" 1
910 1 74 LYS HB2 1 75 GLY H . . 4.200 2.660 1.965 3.892 . 0 0 "[ . 1 . 2]" 1
911 1 74 LYS HB3 1 75 GLY H . . 4.480 3.378 2.160 4.489 0.009 9 0 "[ . 1 . 2]" 1
912 1 75 GLY H 1 75 GLY HA3 . . 2.950 2.910 2.708 2.998 0.048 19 0 "[ . 1 . 2]" 1
913 1 75 GLY H 1 76 GLU H . . 3.200 2.785 1.802 3.269 0.069 11 0 "[ . 1 . 2]" 1
914 1 75 GLY HA2 1 76 GLU H . . 3.610 2.539 2.287 3.225 . 0 0 "[ . 1 . 2]" 1
915 1 75 GLY HA3 1 76 GLU H . . 3.590 3.589 3.480 3.685 0.095 1 0 "[ . 1 . 2]" 1
916 1 76 GLU H 1 76 GLU HB2 . . 3.390 3.288 2.774 3.512 0.122 4 0 "[ . 1 . 2]" 1
917 1 76 GLU H 1 76 GLU HB3 . . 3.420 2.937 2.411 3.315 . 0 0 "[ . 1 . 2]" 1
918 1 76 GLU H 1 77 ASN H . . 4.500 4.352 4.110 4.572 0.072 16 0 "[ . 1 . 2]" 1
919 1 76 GLU H 1 77 ASN HD21 . . 4.850 4.574 3.567 4.932 0.082 1 0 "[ . 1 . 2]" 1
920 1 76 GLU HA 1 76 GLU HB3 . . 2.960 2.910 2.343 3.056 0.096 10 0 "[ . 1 . 2]" 1
921 1 76 GLU HA 1 76 GLU QG . . 3.250 2.780 2.167 3.350 0.100 4 0 "[ . 1 . 2]" 1
922 1 76 GLU HA 1 77 ASN H . . 2.630 2.452 2.099 2.715 0.085 5 0 "[ . 1 . 2]" 1
923 1 76 GLU HB2 1 77 ASN H . . 3.850 3.647 2.368 3.988 0.138 7 0 "[ . 1 . 2]" 1
924 1 76 GLU HB3 1 77 ASN H . . 3.920 3.489 2.538 4.001 0.081 8 0 "[ . 1 . 2]" 1
925 1 76 GLU QG 1 77 ASN H . . 3.990 2.342 1.717 3.932 . 0 0 "[ . 1 . 2]" 1
926 1 76 GLU QG 1 77 ASN HD21 . . 5.500 4.850 3.738 5.604 0.104 10 0 "[ . 1 . 2]" 1
927 1 76 GLU QG 1 78 PHE H . . 5.500 5.275 4.804 5.598 0.098 1 0 "[ . 1 . 2]" 1
928 1 77 ASN H 1 77 ASN HB2 . . 3.190 3.109 2.402 3.899 0.709 16 6 "[* *. 1 .+*- *]" 1
929 1 77 ASN H 1 77 ASN HD22 . . 5.390 4.571 2.824 5.487 0.097 15 0 "[ . 1 . 2]" 1
930 1 77 ASN HA 1 77 ASN HD21 . . 3.180 3.015 2.024 3.287 0.107 1 0 "[ . 1 . 2]" 1
931 1 77 ASN HA 1 78 PHE H . . 2.600 2.483 2.230 2.683 0.083 20 0 "[ . 1 . 2]" 1
932 1 77 ASN HB2 1 77 ASN HD22 . . 3.740 3.801 3.430 4.177 0.437 20 0 "[ . 1 . 2]" 1
933 1 77 ASN HB3 1 78 PHE H . . 3.790 3.071 2.247 4.531 0.741 16 1 "[ . 1 .+ 2]" 1
934 1 78 PHE H 1 78 PHE HB2 . . 3.150 2.749 2.152 3.648 0.498 13 0 "[ . 1 . 2]" 1
935 1 78 PHE H 1 78 PHE HB3 . . 3.560 3.444 2.519 3.654 0.094 8 0 "[ . 1 . 2]" 1
936 1 78 PHE H 1 78 PHE QD . . 4.160 3.342 1.760 4.270 0.110 17 0 "[ . 1 . 2]" 1
937 1 78 PHE H 1 79 THR H . . 4.790 4.294 3.250 4.625 . 0 0 "[ . 1 . 2]" 1
938 1 78 PHE H 1 79 THR HA . . 5.140 4.919 4.330 5.230 0.090 17 0 "[ . 1 . 2]" 1
939 1 78 PHE HA 1 78 PHE QD . . 3.070 2.697 2.068 3.221 0.151 13 0 "[ . 1 . 2]" 1
940 1 78 PHE HA 1 79 THR H . . 2.940 2.345 2.071 2.651 . 0 0 "[ . 1 . 2]" 1
941 1 78 PHE HA 1 79 THR MG . . 4.050 3.926 3.446 4.163 0.113 2 0 "[ . 1 . 2]" 1
942 1 78 PHE HB3 1 79 THR H . . 4.260 3.282 2.275 4.600 0.340 17 0 "[ . 1 . 2]" 1
943 1 78 PHE QD 1 79 THR H . . 4.880 3.888 2.519 4.905 0.025 19 0 "[ . 1 . 2]" 1
944 1 79 THR H 1 79 THR HB . . 3.800 3.602 3.263 3.843 0.043 6 0 "[ . 1 . 2]" 1
945 1 79 THR H 1 79 THR MG . . 3.070 2.927 2.470 3.179 0.109 10 0 "[ . 1 . 2]" 1
946 1 79 THR H 1 82 ASP H . . 4.400 3.934 3.366 4.471 0.071 10 0 "[ . 1 . 2]" 1
947 1 79 THR H 1 82 ASP QB . . 3.530 2.654 1.897 3.130 . 0 0 "[ . 1 . 2]" 1
948 1 79 THR HA 1 79 THR HB . . 2.960 2.610 2.527 2.800 . 0 0 "[ . 1 . 2]" 1
949 1 79 THR HA 1 79 THR MG . . 3.040 2.277 2.093 2.418 . 0 0 "[ . 1 . 2]" 1
950 1 79 THR HA 1 80 GLU H . . 3.000 2.294 2.190 2.453 . 0 0 "[ . 1 . 2]" 1
951 1 79 THR HA 1 81 THR H . . 4.630 4.078 3.746 4.417 . 0 0 "[ . 1 . 2]" 1
952 1 79 THR HB 1 80 GLU H . . 2.970 2.968 2.635 3.065 0.095 10 0 "[ . 1 . 2]" 1
953 1 79 THR HB 1 81 THR H . . 2.990 2.682 2.354 3.045 0.055 2 0 "[ . 1 . 2]" 1
954 1 79 THR HB 1 81 THR HB . . 2.910 2.985 2.969 2.999 0.089 2 0 "[ . 1 . 2]" 1
955 1 79 THR HB 1 82 ASP H . . 3.250 2.813 2.061 3.114 . 0 0 "[ . 1 . 2]" 1
956 1 79 THR HB 1 82 ASP QB . . 4.190 3.627 2.667 3.835 . 0 0 "[ . 1 . 2]" 1
957 1 79 THR MG 1 80 GLU H . . 3.730 3.684 3.172 3.827 0.097 5 0 "[ . 1 . 2]" 1
958 1 79 THR MG 1 81 THR H . . 4.680 4.242 3.974 4.563 . 0 0 "[ . 1 . 2]" 1
959 1 79 THR MG 1 81 THR HB . . 4.430 4.140 3.892 4.354 . 0 0 "[ . 1 . 2]" 1
960 1 79 THR MG 1 82 ASP H . . 4.860 4.046 3.790 4.272 . 0 0 "[ . 1 . 2]" 1
961 1 79 THR MG 1 82 ASP QB . . 4.200 3.728 3.544 3.880 . 0 0 "[ . 1 . 2]" 1
962 1 80 GLU H 1 80 GLU HB2 . . 3.250 2.644 1.905 3.688 0.438 19 0 "[ . 1 . 2]" 1
963 1 80 GLU H 1 80 GLU HG2 . . 3.960 3.184 1.983 4.046 0.086 12 0 "[ . 1 . 2]" 1
964 1 80 GLU H 1 80 GLU HG3 . . 3.780 3.345 2.776 3.861 0.081 3 0 "[ . 1 . 2]" 1
965 1 80 GLU H 1 81 THR H . . 3.590 2.634 2.257 2.924 . 0 0 "[ . 1 . 2]" 1
966 1 80 GLU H 1 82 ASP H . . 5.400 4.324 3.717 4.908 . 0 0 "[ . 1 . 2]" 1
967 1 80 GLU HA 1 80 GLU HG3 . . 3.690 3.391 2.271 4.239 0.549 5 1 "[ + 1 . 2]" 1
968 1 80 GLU HA 1 83 MET H . . 4.000 3.457 3.119 3.958 . 0 0 "[ . 1 . 2]" 1
969 1 80 GLU HA 1 83 MET HB2 . . 4.070 2.333 2.042 2.666 . 0 0 "[ . 1 . 2]" 1
970 1 80 GLU HA 1 83 MET HB3 . . 3.610 3.816 3.548 4.137 0.527 19 3 "[ * . 1 . - +2]" 1
971 1 80 GLU HA 1 83 MET QG . . 3.790 3.271 2.365 3.867 0.077 11 0 "[ . 1 . 2]" 1
972 1 80 GLU HB2 1 81 THR H . . 4.240 3.297 2.714 3.999 . 0 0 "[ . 1 . 2]" 1
973 1 80 GLU HB3 1 81 THR H . . 3.710 3.654 2.574 4.177 0.467 8 0 "[ . 1 . 2]" 1
974 1 80 GLU HG2 1 81 THR H . . 5.500 4.242 2.150 5.483 . 0 0 "[ . 1 . 2]" 1
975 1 81 THR H 1 81 THR HB . . 3.130 2.416 2.157 2.716 . 0 0 "[ . 1 . 2]" 1
976 1 81 THR H 1 81 THR MG . . 3.870 3.701 3.613 3.836 . 0 0 "[ . 1 . 2]" 1
977 1 81 THR H 1 82 ASP H . . 3.490 2.769 2.374 2.990 . 0 0 "[ . 1 . 2]" 1
978 1 81 THR HA 1 81 THR MG . . 3.350 2.432 2.228 2.615 . 0 0 "[ . 1 . 2]" 1
979 1 81 THR HA 1 84 LYS H . . 4.100 3.498 3.153 3.809 . 0 0 "[ . 1 . 2]" 1
980 1 81 THR HA 1 84 LYS HB2 . . 3.850 2.867 2.540 3.355 . 0 0 "[ . 1 . 2]" 1
981 1 81 THR HA 1 84 LYS HB3 . . 3.860 3.792 2.972 3.936 0.076 20 0 "[ . 1 . 2]" 1
982 1 81 THR HB 1 82 ASP H . . 3.540 2.576 2.290 3.156 . 0 0 "[ . 1 . 2]" 1
983 1 81 THR MG 1 82 ASP H . . 4.320 3.503 3.041 4.022 . 0 0 "[ . 1 . 2]" 1
984 1 81 THR MG 1 85 ILE HG13 . . 4.210 3.963 3.012 4.313 0.103 15 0 "[ . 1 . 2]" 1
985 1 82 ASP H 1 82 ASP QB . . 3.540 2.227 2.043 2.379 . 0 0 "[ . 1 . 2]" 1
986 1 82 ASP H 1 83 MET H . . 3.610 2.602 2.257 2.828 . 0 0 "[ . 1 . 2]" 1
987 1 82 ASP H 1 83 MET QG . . 5.120 4.741 4.187 5.213 0.093 19 0 "[ . 1 . 2]" 1
988 1 82 ASP HA 1 85 ILE H . . 4.620 3.558 3.282 3.851 . 0 0 "[ . 1 . 2]" 1
989 1 82 ASP HA 1 85 ILE HB . . 3.940 3.154 2.574 3.557 . 0 0 "[ . 1 . 2]" 1
990 1 82 ASP HA 1 85 ILE MD . . 4.150 3.199 2.464 4.207 0.057 10 0 "[ . 1 . 2]" 1
991 1 82 ASP HA 1 86 MET H . . 4.860 4.000 3.747 4.247 . 0 0 "[ . 1 . 2]" 1
992 1 82 ASP QB 1 83 MET H . . 3.790 2.503 2.240 2.915 . 0 0 "[ . 1 . 2]" 1
993 1 82 ASP QB 1 83 MET HA . . 4.180 4.020 3.574 4.138 . 0 0 "[ . 1 . 2]" 1
994 1 82 ASP QB 1 83 MET ME . . 4.560 4.254 2.967 4.533 . 0 0 "[ . 1 . 2]" 1
995 1 83 MET H 1 83 MET HB2 . . 3.720 2.286 2.134 2.441 . 0 0 "[ . 1 . 2]" 1
996 1 83 MET H 1 83 MET HB3 . . 3.420 3.534 3.433 3.640 0.220 17 0 "[ . 1 . 2]" 1
997 1 83 MET H 1 83 MET QG . . 3.280 2.696 2.302 3.364 0.084 11 0 "[ . 1 . 2]" 1
998 1 83 MET H 1 84 LYS H . . 3.740 2.852 2.473 3.122 . 0 0 "[ . 1 . 2]" 1
999 1 83 MET H 1 84 LYS QD . . 5.500 5.370 4.841 5.595 0.095 3 0 "[ . 1 . 2]" 1
1000 1 83 MET HA 1 83 MET ME . . 3.430 1.939 1.876 2.041 . 0 0 "[ . 1 . 2]" 1
1001 1 83 MET HA 1 83 MET QG . . 3.740 2.448 2.332 2.588 . 0 0 "[ . 1 . 2]" 1
1002 1 83 MET HA 1 86 MET H . . 4.290 3.222 2.968 3.431 . 0 0 "[ . 1 . 2]" 1
1003 1 83 MET HA 1 86 MET QB . . 3.150 2.229 1.959 2.885 . 0 0 "[ . 1 . 2]" 1
1004 1 83 MET HA 1 86 MET ME . . 3.580 3.320 2.523 3.659 0.079 2 0 "[ . 1 . 2]" 1
1005 1 83 MET HB2 1 84 LYS H . . 3.780 3.027 2.884 3.246 . 0 0 "[ . 1 . 2]" 1
1006 1 83 MET ME 1 86 MET H . . 4.090 3.991 3.730 4.169 0.079 7 0 "[ . 1 . 2]" 1
1007 1 83 MET ME 1 86 MET QB . . 2.850 2.188 1.879 2.861 0.011 7 0 "[ . 1 . 2]" 1
1008 1 83 MET ME 1 86 MET ME . . 3.020 1.931 1.812 2.340 . 0 0 "[ . 1 . 2]" 1
1009 1 83 MET ME 1 86 MET QG . . 3.160 2.727 1.696 3.149 . 0 0 "[ . 1 . 2]" 1
1010 1 83 MET ME 1 87 GLU H . . 4.130 3.510 2.802 4.246 0.116 17 0 "[ . 1 . 2]" 1
1011 1 83 MET QG 1 84 LYS H . . 5.050 4.474 4.289 4.717 . 0 0 "[ . 1 . 2]" 1
1012 1 83 MET QG 1 86 MET ME . . 3.150 3.237 2.812 3.294 0.144 17 0 "[ . 1 . 2]" 1
1013 1 84 LYS H 1 84 LYS HB2 . . 2.930 2.037 1.908 2.159 . 0 0 "[ . 1 . 2]" 1
1014 1 84 LYS H 1 84 LYS HB3 . . 2.980 3.021 2.873 3.070 0.090 20 0 "[ . 1 . 2]" 1
1015 1 84 LYS H 1 84 LYS QD . . 3.800 3.217 2.803 3.563 . 0 0 "[ . 1 . 2]" 1
1016 1 84 LYS H 1 84 LYS HG3 . . 4.360 4.381 4.158 4.439 0.079 6 0 "[ . 1 . 2]" 1
1017 1 84 LYS H 1 85 ILE H . . 3.240 2.681 2.430 2.810 . 0 0 "[ . 1 . 2]" 1
1018 1 84 LYS HA 1 84 LYS QD . . 3.920 2.259 2.046 2.843 . 0 0 "[ . 1 . 2]" 1
1019 1 84 LYS HA 1 84 LYS QE . . 4.380 3.362 1.822 4.119 . 0 0 "[ . 1 . 2]" 1
1020 1 84 LYS HA 1 84 LYS HG3 . . 3.540 2.531 2.296 2.823 . 0 0 "[ . 1 . 2]" 1
1021 1 84 LYS HA 1 87 GLU H . . 4.050 3.929 3.685 4.106 0.056 11 0 "[ . 1 . 2]" 1
1022 1 84 LYS HA 1 87 GLU HB3 . . 3.750 3.259 2.798 3.743 . 0 0 "[ . 1 . 2]" 1
1023 1 84 LYS HA 1 88 ARG H . . 5.060 4.467 4.044 4.879 . 0 0 "[ . 1 . 2]" 1
1024 1 84 LYS HB2 1 85 ILE H . . 3.960 3.439 3.065 3.888 . 0 0 "[ . 1 . 2]" 1
1025 1 84 LYS QD 1 85 ILE H . . 5.120 4.833 4.679 5.016 . 0 0 "[ . 1 . 2]" 1
1026 1 84 LYS QE 1 84 LYS HG3 . . 3.740 2.444 2.140 3.192 . 0 0 "[ . 1 . 2]" 1
1027 1 85 ILE H 1 85 ILE HB . . 3.120 2.477 2.312 2.718 . 0 0 "[ . 1 . 2]" 1
1028 1 85 ILE H 1 85 ILE MD . . 3.800 3.671 3.424 3.896 0.096 15 0 "[ . 1 . 2]" 1
1029 1 85 ILE H 1 85 ILE HG13 . . 3.580 2.320 1.952 2.848 . 0 0 "[ . 1 . 2]" 1
1030 1 85 ILE H 1 85 ILE MG . . 4.170 3.768 3.708 3.831 . 0 0 "[ . 1 . 2]" 1
1031 1 85 ILE H 1 86 MET H . . 3.670 2.584 2.180 2.908 . 0 0 "[ . 1 . 2]" 1
1032 1 85 ILE H 1 88 ARG H . . 5.020 4.871 4.496 5.086 0.066 7 0 "[ . 1 . 2]" 1
1033 1 85 ILE HA 1 85 ILE MD . . 3.870 3.851 3.684 3.946 0.076 19 0 "[ . 1 . 2]" 1
1034 1 85 ILE HA 1 85 ILE HG12 . . 3.850 2.550 2.273 2.704 . 0 0 "[ . 1 . 2]" 1
1035 1 85 ILE HA 1 85 ILE MG . . 3.300 2.409 2.098 2.565 . 0 0 "[ . 1 . 2]" 1
1036 1 85 ILE HA 1 88 ARG H . . 4.130 3.531 2.799 3.904 . 0 0 "[ . 1 . 2]" 1
1037 1 85 ILE HA 1 88 ARG HB2 . . 4.240 2.759 2.123 3.379 . 0 0 "[ . 1 . 2]" 1
1038 1 85 ILE HB 1 85 ILE MD . . 3.240 2.431 2.272 2.640 . 0 0 "[ . 1 . 2]" 1
1039 1 85 ILE HB 1 86 MET H . . 3.470 2.624 2.340 3.094 . 0 0 "[ . 1 . 2]" 1
1040 1 85 ILE MD 1 89 VAL MG2 . . 5.110 4.755 4.117 5.242 0.132 7 0 "[ . 1 . 2]" 1
1041 1 85 ILE HG13 1 86 MET H . . 5.270 4.327 3.937 4.702 . 0 0 "[ . 1 . 2]" 1
1042 1 85 ILE MG 1 86 MET H . . 3.950 3.432 3.064 3.937 . 0 0 "[ . 1 . 2]" 1
1043 1 85 ILE MG 1 86 MET HA . . 4.290 3.527 3.161 4.027 . 0 0 "[ . 1 . 2]" 1
1044 1 85 ILE MG 1 88 ARG H . . 5.500 4.674 3.983 5.091 . 0 0 "[ . 1 . 2]" 1
1045 1 85 ILE MG 1 89 VAL H . . 4.570 3.921 3.308 4.471 . 0 0 "[ . 1 . 2]" 1
1046 1 85 ILE MG 1 89 VAL MG2 . . 3.720 2.313 2.029 2.983 . 0 0 "[ . 1 . 2]" 1
1047 1 86 MET H 1 86 MET QB . . 3.370 2.051 1.817 2.363 . 0 0 "[ . 1 . 2]" 1
1048 1 86 MET H 1 86 MET QG . . 3.840 3.250 2.286 3.687 . 0 0 "[ . 1 . 2]" 1
1049 1 86 MET H 1 87 GLU H . . 3.620 2.959 2.663 3.178 . 0 0 "[ . 1 . 2]" 1
1050 1 86 MET H 1 88 ARG H . . 5.100 4.436 4.088 4.813 . 0 0 "[ . 1 . 2]" 1
1051 1 86 MET HA 1 86 MET QG . . 3.910 2.342 2.093 3.501 . 0 0 "[ . 1 . 2]" 1
1052 1 86 MET HA 1 89 VAL HB . . 3.070 2.893 2.407 3.082 0.012 14 0 "[ . 1 . 2]" 1
1053 1 86 MET HA 1 89 VAL MG1 . . 4.300 4.283 3.501 4.400 0.100 14 0 "[ . 1 . 2]" 1
1054 1 86 MET HA 1 89 VAL MG2 . . 3.860 3.562 2.846 3.954 0.094 5 0 "[ . 1 . 2]" 1
1055 1 86 MET QB 1 87 GLU H . . 3.950 2.679 2.362 3.483 . 0 0 "[ . 1 . 2]" 1
1056 1 86 MET ME 1 86 MET QG . . 3.390 2.364 1.919 2.789 . 0 0 "[ . 1 . 2]" 1
1057 1 86 MET QG 1 87 GLU H . . 4.920 3.974 2.407 4.461 . 0 0 "[ . 1 . 2]" 1
1058 1 87 GLU H 1 87 GLU HB3 . . 2.930 2.259 2.131 2.484 . 0 0 "[ . 1 . 2]" 1
1059 1 87 GLU H 1 87 GLU HG2 . . 4.080 4.174 4.154 4.377 0.297 3 0 "[ . 1 . 2]" 1
1060 1 87 GLU H 1 88 ARG H . . 3.520 2.842 2.661 3.079 . 0 0 "[ . 1 . 2]" 1
1061 1 87 GLU H 1 89 VAL H . . 4.600 4.286 4.095 4.488 . 0 0 "[ . 1 . 2]" 1
1062 1 87 GLU HA 1 87 GLU HG2 . . 3.760 3.367 3.155 3.551 . 0 0 "[ . 1 . 2]" 1
1063 1 87 GLU HA 1 87 GLU HG3 . . 3.700 2.648 2.204 2.884 . 0 0 "[ . 1 . 2]" 1
1064 1 87 GLU HA 1 90 VAL H . . 3.850 3.733 3.523 3.917 0.067 16 0 "[ . 1 . 2]" 1
1065 1 87 GLU HA 1 90 VAL HB . . 2.930 2.914 2.593 3.012 0.082 5 0 "[ . 1 . 2]" 1
1066 1 87 GLU HA 1 91 GLU H . . 4.170 3.628 3.391 3.815 . 0 0 "[ . 1 . 2]" 1
1067 1 87 GLU HB2 1 88 ARG H . . 5.100 4.093 3.942 4.277 . 0 0 "[ . 1 . 2]" 1
1068 1 87 GLU HB3 1 88 ARG H . . 3.770 2.740 2.521 3.048 . 0 0 "[ . 1 . 2]" 1
1069 1 87 GLU HG2 1 88 ARG H . . 5.120 3.185 2.961 3.967 . 0 0 "[ . 1 . 2]" 1
1070 1 87 GLU HG2 1 88 ARG HE . . 5.120 4.507 2.140 5.205 0.085 5 0 "[ . 1 . 2]" 1
1071 1 88 ARG H 1 88 ARG HB2 . . 3.230 2.098 1.855 2.248 . 0 0 "[ . 1 . 2]" 1
1072 1 88 ARG H 1 88 ARG HB3 . . 3.390 3.345 2.910 3.477 0.087 13 0 "[ . 1 . 2]" 1
1073 1 88 ARG H 1 88 ARG HG2 . . 4.040 4.104 3.914 4.413 0.373 11 0 "[ . 1 . 2]" 1
1074 1 88 ARG H 1 89 VAL H . . 3.320 2.772 2.513 2.905 . 0 0 "[ . 1 . 2]" 1
1075 1 88 ARG H 1 89 VAL MG2 . . 4.520 4.115 3.615 4.373 . 0 0 "[ . 1 . 2]" 1
1076 1 88 ARG H 1 90 VAL H . . 4.660 4.483 4.257 4.650 . 0 0 "[ . 1 . 2]" 1
1077 1 88 ARG HA 1 88 ARG HD2 . . 3.540 2.793 2.186 3.625 0.085 19 0 "[ . 1 . 2]" 1
1078 1 88 ARG HA 1 88 ARG HD3 . . 3.530 3.206 2.129 3.642 0.112 6 0 "[ . 1 . 2]" 1
1079 1 88 ARG HA 1 88 ARG HE . . 5.020 3.739 2.046 5.104 0.084 13 0 "[ . 1 . 2]" 1
1080 1 88 ARG HA 1 88 ARG HG3 . . 3.790 2.516 2.213 3.615 . 0 0 "[ . 1 . 2]" 1
1081 1 88 ARG HA 1 91 GLU H . . 4.140 3.838 3.569 4.155 0.015 11 0 "[ . 1 . 2]" 1
1082 1 88 ARG HA 1 92 GLN H . . 4.840 4.047 3.640 4.315 . 0 0 "[ . 1 . 2]" 1
1083 1 88 ARG HB2 1 88 ARG HD3 . . 4.250 2.912 2.348 3.585 . 0 0 "[ . 1 . 2]" 1
1084 1 88 ARG HB2 1 88 ARG HE . . 4.860 4.033 2.487 4.823 . 0 0 "[ . 1 . 2]" 1
1085 1 88 ARG HB2 1 89 VAL H . . 3.780 2.991 2.564 3.287 . 0 0 "[ . 1 . 2]" 1
1086 1 88 ARG HB3 1 88 ARG HD3 . . 4.130 3.774 2.716 4.184 0.054 7 0 "[ . 1 . 2]" 1
1087 1 88 ARG HB3 1 88 ARG HE . . 4.990 4.534 3.655 5.044 0.054 4 0 "[ . 1 . 2]" 1
1088 1 88 ARG HB3 1 88 ARG HG2 . . 2.970 2.422 2.247 2.987 0.017 19 0 "[ . 1 . 2]" 1
1089 1 88 ARG HB3 1 89 VAL H . . 3.890 2.984 2.500 3.416 . 0 0 "[ . 1 . 2]" 1
1090 1 88 ARG HE 1 88 ARG HG2 . . 4.180 3.206 2.173 4.090 . 0 0 "[ . 1 . 2]" 1
1091 1 89 VAL H 1 89 VAL HB . . 3.150 2.457 2.163 2.625 . 0 0 "[ . 1 . 2]" 1
1092 1 89 VAL H 1 89 VAL MG1 . . 3.810 3.754 3.607 3.806 . 0 0 "[ . 1 . 2]" 1
1093 1 89 VAL H 1 89 VAL MG2 . . 3.040 2.175 2.016 2.267 . 0 0 "[ . 1 . 2]" 1
1094 1 89 VAL H 1 90 VAL H . . 3.520 2.704 2.569 2.857 . 0 0 "[ . 1 . 2]" 1
1095 1 89 VAL H 1 92 GLN H . . 5.500 4.699 4.554 4.882 . 0 0 "[ . 1 . 2]" 1
1096 1 89 VAL HA 1 89 VAL MG1 . . 3.270 2.414 2.308 2.553 . 0 0 "[ . 1 . 2]" 1
1097 1 89 VAL HA 1 89 VAL MG2 . . 3.220 2.374 2.202 2.584 . 0 0 "[ . 1 . 2]" 1
1098 1 89 VAL HA 1 91 GLU H . . 4.720 4.422 4.291 4.599 . 0 0 "[ . 1 . 2]" 1
1099 1 89 VAL HA 1 92 GLN H . . 4.200 3.386 3.148 3.555 . 0 0 "[ . 1 . 2]" 1
1100 1 89 VAL HA 1 92 GLN HB3 . . 3.180 2.608 2.323 2.816 . 0 0 "[ . 1 . 2]" 1
1101 1 89 VAL HA 1 93 MET H . . 5.010 3.947 3.795 4.067 . 0 0 "[ . 1 . 2]" 1
1102 1 89 VAL HB 1 90 VAL H . . 3.280 2.679 2.555 2.844 . 0 0 "[ . 1 . 2]" 1
1103 1 89 VAL MG1 1 90 VAL H . . 3.750 3.530 3.067 3.758 0.008 17 0 "[ . 1 . 2]" 1
1104 1 89 VAL MG1 1 92 GLN H . . 5.020 4.894 4.622 5.100 0.080 13 0 "[ . 1 . 2]" 1
1105 1 89 VAL MG1 1 92 GLN HB3 . . 4.490 3.996 3.601 4.512 0.022 13 0 "[ . 1 . 2]" 1
1106 1 89 VAL MG1 1 93 MET H . . 4.510 4.167 3.941 4.411 . 0 0 "[ . 1 . 2]" 1
1107 1 89 VAL MG1 1 93 MET ME . . 3.100 2.966 2.502 3.246 0.146 10 0 "[ . 1 . 2]" 1
1108 1 89 VAL MG1 1 93 MET HG2 . . 4.730 4.173 3.689 4.614 . 0 0 "[ . 1 . 2]" 1
1109 1 89 VAL MG1 1 93 MET HG3 . . 4.130 3.065 2.549 3.849 . 0 0 "[ . 1 . 2]" 1
1110 1 89 VAL MG2 1 92 GLN H . . 5.000 5.085 5.045 5.113 0.113 11 0 "[ . 1 . 2]" 1
1111 1 89 VAL MG2 1 92 GLN HB3 . . 4.280 4.378 4.310 4.395 0.115 17 0 "[ . 1 . 2]" 1
1112 1 90 VAL H 1 90 VAL HB . . 3.010 2.262 2.110 2.380 . 0 0 "[ . 1 . 2]" 1
1113 1 90 VAL H 1 90 VAL MG1 . . 3.910 3.685 3.598 3.739 . 0 0 "[ . 1 . 2]" 1
1114 1 90 VAL H 1 90 VAL MG2 . . 3.120 2.344 2.216 2.473 . 0 0 "[ . 1 . 2]" 1
1115 1 90 VAL H 1 91 GLU H . . 3.470 2.699 2.594 2.831 . 0 0 "[ . 1 . 2]" 1
1116 1 90 VAL H 1 92 GLN H . . 5.440 4.493 4.355 4.622 . 0 0 "[ . 1 . 2]" 1
1117 1 90 VAL HA 1 90 VAL MG1 . . 3.610 2.580 2.483 2.685 . 0 0 "[ . 1 . 2]" 1
1118 1 90 VAL HA 1 90 VAL MG2 . . 3.160 2.314 2.258 2.366 . 0 0 "[ . 1 . 2]" 1
1119 1 90 VAL HA 1 93 MET H . . 3.850 3.270 3.057 3.509 . 0 0 "[ . 1 . 2]" 1
1120 1 90 VAL HA 1 93 MET HB2 . . 3.300 2.321 2.147 2.427 . 0 0 "[ . 1 . 2]" 1
1121 1 90 VAL HA 1 93 MET HB3 . . 3.930 3.935 3.696 4.007 0.077 17 0 "[ . 1 . 2]" 1
1122 1 90 VAL HA 1 93 MET ME . . 3.000 2.221 1.948 2.482 . 0 0 "[ . 1 . 2]" 1
1123 1 90 VAL HB 1 91 GLU H . . 2.910 2.867 2.748 2.991 0.081 7 0 "[ . 1 . 2]" 1
1124 1 90 VAL MG1 1 91 GLU H . . 4.780 3.371 3.120 3.562 . 0 0 "[ . 1 . 2]" 1
1125 1 90 VAL MG1 1 91 GLU HA . . 4.620 3.609 3.307 3.834 . 0 0 "[ . 1 . 2]" 1
1126 1 90 VAL MG1 1 93 MET HB2 . . 4.680 3.806 3.562 4.146 . 0 0 "[ . 1 . 2]" 1
1127 1 90 VAL MG1 1 93 MET ME . . 3.700 3.289 2.930 3.712 0.012 3 0 "[ . 1 . 2]" 1
1128 1 90 VAL MG1 1 94 CYS H . . 5.220 4.074 3.824 4.425 . 0 0 "[ . 1 . 2]" 1
1129 1 90 VAL MG2 1 91 GLU H . . 4.300 4.134 4.034 4.206 . 0 0 "[ . 1 . 2]" 1
1130 1 91 GLU H 1 91 GLU HB2 . . 3.520 2.561 2.437 2.730 . 0 0 "[ . 1 . 2]" 1
1131 1 91 GLU H 1 91 GLU HB3 . . 3.420 2.385 2.183 2.647 . 0 0 "[ . 1 . 2]" 1
1132 1 91 GLU H 1 91 GLU HG2 . . 4.460 4.401 4.252 4.556 0.096 8 0 "[ . 1 . 2]" 1
1133 1 91 GLU H 1 92 GLN H . . 3.460 3.032 2.891 3.132 . 0 0 "[ . 1 . 2]" 1
1134 1 91 GLU HA 1 91 GLU HG2 . . 3.800 3.285 2.862 3.552 . 0 0 "[ . 1 . 2]" 1
1135 1 91 GLU HA 1 91 GLU HG3 . . 3.590 2.641 2.328 2.988 . 0 0 "[ . 1 . 2]" 1
1136 1 91 GLU HA 1 94 CYS H . . 4.190 3.481 3.100 3.671 . 0 0 "[ . 1 . 2]" 1
1137 1 91 GLU HA 1 95 VAL QG . . 4.460 4.014 3.743 4.289 . 0 0 "[ . 1 . 2]" 1
1138 1 91 GLU HB2 1 92 GLN H . . 4.030 4.061 3.915 4.113 0.083 11 0 "[ . 1 . 2]" 1
1139 1 91 GLU HB3 1 92 GLN H . . 3.720 2.667 2.459 2.789 . 0 0 "[ . 1 . 2]" 1
1140 1 91 GLU HG2 1 95 VAL QG . . 3.340 3.119 2.375 3.525 0.185 14 0 "[ . 1 . 2]" 1
1141 1 91 GLU HG3 1 95 VAL QG . . 3.560 3.488 2.986 3.632 0.072 6 0 "[ . 1 . 2]" 1
1142 1 92 GLN H 1 92 GLN HB2 . . 2.910 2.443 2.348 2.548 . 0 0 "[ . 1 . 2]" 1
1143 1 92 GLN H 1 92 GLN HB3 . . 2.940 2.121 2.048 2.179 . 0 0 "[ . 1 . 2]" 1
1144 1 92 GLN H 1 92 GLN HG3 . . 3.910 4.017 4.015 4.020 0.110 5 0 "[ . 1 . 2]" 1
1145 1 92 GLN H 1 93 MET H . . 3.590 2.777 2.681 2.897 . 0 0 "[ . 1 . 2]" 1
1146 1 92 GLN H 1 94 CYS H . . 5.040 4.388 4.268 4.642 . 0 0 "[ . 1 . 2]" 1
1147 1 92 GLN H 1 95 VAL QG . . 4.440 4.395 4.076 4.465 0.025 5 0 "[ . 1 . 2]" 1
1148 1 92 GLN HA 1 92 GLN HB2 . . 2.920 2.391 2.366 2.433 . 0 0 "[ . 1 . 2]" 1
1149 1 92 GLN HA 1 94 CYS H . . 5.000 4.477 4.271 4.704 . 0 0 "[ . 1 . 2]" 1
1150 1 92 GLN HA 1 95 VAL H . . 3.740 3.407 3.113 3.605 . 0 0 "[ . 1 . 2]" 1
1151 1 92 GLN HA 1 95 VAL HB . . 3.410 2.790 2.188 3.125 . 0 0 "[ . 1 . 2]" 1
1152 1 92 GLN HA 1 95 VAL QG . . 3.920 2.805 2.301 3.058 . 0 0 "[ . 1 . 2]" 1
1153 1 92 GLN HA 1 96 THR H . . 5.030 3.879 3.645 4.130 . 0 0 "[ . 1 . 2]" 1
1154 1 92 GLN HB3 1 93 MET H . . 3.020 2.897 2.703 3.070 0.050 9 0 "[ . 1 . 2]" 1
1155 1 92 GLN HG2 1 93 MET H . . 4.210 3.573 3.335 3.763 . 0 0 "[ . 1 . 2]" 1
1156 1 92 GLN HG2 1 93 MET HA . . 3.640 3.669 3.362 3.724 0.084 18 0 "[ . 1 . 2]" 1
1157 1 93 MET H 1 93 MET HB2 . . 3.460 2.319 2.201 2.405 . 0 0 "[ . 1 . 2]" 1
1158 1 93 MET H 1 93 MET ME . . 3.900 3.962 3.847 4.009 0.109 13 0 "[ . 1 . 2]" 1
1159 1 93 MET H 1 93 MET HG2 . . 3.980 3.704 3.417 4.062 0.082 14 0 "[ . 1 . 2]" 1
1160 1 93 MET H 1 93 MET HG3 . . 3.620 2.676 2.392 2.900 . 0 0 "[ . 1 . 2]" 1
1161 1 93 MET H 1 94 CYS H . . 3.460 2.784 2.660 2.971 . 0 0 "[ . 1 . 2]" 1
1162 1 93 MET HA 1 93 MET ME . . 4.580 4.420 4.279 4.566 . 0 0 "[ . 1 . 2]" 1
1163 1 93 MET HA 1 93 MET HG2 . . 3.620 2.408 2.147 3.046 . 0 0 "[ . 1 . 2]" 1
1164 1 93 MET HA 1 93 MET HG3 . . 3.740 2.813 2.212 3.199 . 0 0 "[ . 1 . 2]" 1
1165 1 93 MET HA 1 96 THR H . . 4.030 3.307 3.026 3.619 . 0 0 "[ . 1 . 2]" 1
1166 1 93 MET HA 1 96 THR HB . . 3.460 2.473 2.155 2.990 . 0 0 "[ . 1 . 2]" 1
1167 1 93 MET HA 1 97 GLN H . . 4.770 3.660 3.473 3.898 . 0 0 "[ . 1 . 2]" 1
1168 1 93 MET HB2 1 93 MET ME . . 3.090 2.243 2.012 2.452 . 0 0 "[ . 1 . 2]" 1
1169 1 93 MET HB2 1 94 CYS H . . 3.830 2.805 2.531 2.968 . 0 0 "[ . 1 . 2]" 1
1170 1 93 MET HB3 1 93 MET ME . . 3.030 2.662 2.353 3.100 0.070 4 0 "[ . 1 . 2]" 1
1171 1 93 MET HB3 1 94 CYS H . . 4.160 3.508 3.340 3.757 . 0 0 "[ . 1 . 2]" 1
1172 1 93 MET ME 1 93 MET HG2 . . 3.400 3.190 2.580 3.476 0.076 8 0 "[ . 1 . 2]" 1
1173 1 93 MET ME 1 93 MET HG3 . . 3.710 2.925 2.428 3.468 . 0 0 "[ . 1 . 2]" 1
1174 1 94 CYS H 1 94 CYS HB2 . . 3.160 2.529 2.234 2.773 . 0 0 "[ . 1 . 2]" 1
1175 1 94 CYS H 1 94 CYS HB3 . . 3.780 2.935 2.277 3.620 . 0 0 "[ . 1 . 2]" 1
1176 1 94 CYS H 1 95 VAL H . . 3.460 2.721 2.499 2.858 . 0 0 "[ . 1 . 2]" 1
1177 1 94 CYS H 1 95 VAL QG . . 4.400 4.181 3.901 4.350 . 0 0 "[ . 1 . 2]" 1
1178 1 94 CYS H 1 96 THR H . . 4.910 4.312 4.036 4.532 . 0 0 "[ . 1 . 2]" 1
1179 1 94 CYS HA 1 97 GLN H . . 4.020 3.609 2.894 3.880 . 0 0 "[ . 1 . 2]" 1
1180 1 94 CYS HA 1 97 GLN HB2 . . 4.130 3.621 2.564 4.220 0.090 11 0 "[ . 1 . 2]" 1
1181 1 94 CYS HA 1 97 GLN HB3 . . 3.920 3.012 2.248 3.986 0.066 4 0 "[ . 1 . 2]" 1
1182 1 94 CYS HA 1 98 TYR H . . 4.180 4.146 3.659 4.265 0.085 11 0 "[ . 1 . 2]" 1
1183 1 94 CYS HB2 1 95 VAL H . . 3.770 3.349 2.368 3.843 0.073 2 0 "[ . 1 . 2]" 1
1184 1 94 CYS HB2 1 95 VAL QG . . 5.210 4.206 3.117 4.980 . 0 0 "[ . 1 . 2]" 1
1185 1 94 CYS HB3 1 95 VAL H . . 4.550 2.989 2.266 3.913 . 0 0 "[ . 1 . 2]" 1
1186 1 94 CYS HB3 1 95 VAL QG . . 4.360 3.706 2.939 4.342 . 0 0 "[ . 1 . 2]" 1
1187 1 95 VAL H 1 95 VAL HB . . 3.070 2.681 2.546 2.818 . 0 0 "[ . 1 . 2]" 1
1188 1 95 VAL H 1 95 VAL QG . . 3.350 2.207 2.072 2.474 . 0 0 "[ . 1 . 2]" 1
1189 1 95 VAL H 1 96 THR H . . 3.550 2.854 2.609 3.089 . 0 0 "[ . 1 . 2]" 1
1190 1 95 VAL H 1 98 TYR H . . 4.950 4.862 4.672 5.018 0.068 3 0 "[ . 1 . 2]" 1
1191 1 95 VAL HA 1 95 VAL QG . . 2.960 2.132 2.077 2.237 . 0 0 "[ . 1 . 2]" 1
1192 1 95 VAL HA 1 98 TYR H . . 4.250 3.612 3.379 3.828 . 0 0 "[ . 1 . 2]" 1
1193 1 95 VAL HA 1 98 TYR HB2 . . 3.850 2.943 2.515 3.993 0.143 3 0 "[ . 1 . 2]" 1
1194 1 95 VAL HA 1 98 TYR HB3 . . 4.060 3.944 2.629 4.141 0.081 9 0 "[ . 1 . 2]" 1
1195 1 95 VAL HA 1 99 GLN H . . 5.290 3.997 3.717 4.256 . 0 0 "[ . 1 . 2]" 1
1196 1 95 VAL HB 1 96 THR H . . 3.260 2.566 2.356 2.845 . 0 0 "[ . 1 . 2]" 1
1197 1 95 VAL QG 1 96 THR H . . 3.850 3.219 2.965 3.411 . 0 0 "[ . 1 . 2]" 1
1198 1 95 VAL QG 1 96 THR HA . . 4.470 3.488 3.224 3.855 . 0 0 "[ . 1 . 2]" 1
1199 1 95 VAL QG 1 99 GLN H . . 5.500 3.767 3.501 4.019 . 0 0 "[ . 1 . 2]" 1
1200 1 95 VAL QG 1 99 GLN QE . . 4.180 3.540 2.762 3.837 . 0 0 "[ . 1 . 2]" 1
1201 1 95 VAL QG 1 99 GLN HG2 . . 4.760 2.369 1.983 2.926 . 0 0 "[ . 1 . 2]" 1
1202 1 95 VAL QG 1 99 GLN HG3 . . 4.330 2.648 2.079 3.719 . 0 0 "[ . 1 . 2]" 1
1203 1 96 THR H 1 96 THR HB . . 3.190 2.459 2.151 2.573 . 0 0 "[ . 1 . 2]" 1
1204 1 96 THR H 1 96 THR MG . . 3.740 3.712 3.598 3.763 0.023 18 0 "[ . 1 . 2]" 1
1205 1 96 THR H 1 97 GLN H . . 3.630 2.857 2.701 3.065 . 0 0 "[ . 1 . 2]" 1
1206 1 96 THR H 1 97 GLN HA . . 5.360 5.413 5.293 5.452 0.092 3 0 "[ . 1 . 2]" 1
1207 1 96 THR H 1 99 GLN HG2 . . 5.500 4.584 3.913 5.245 . 0 0 "[ . 1 . 2]" 1
1208 1 96 THR HA 1 96 THR MG . . 3.120 2.413 2.248 2.774 . 0 0 "[ . 1 . 2]" 1
1209 1 96 THR HA 1 98 TYR H . . 5.400 4.303 4.072 4.646 . 0 0 "[ . 1 . 2]" 1
1210 1 96 THR HA 1 99 GLN H . . 4.430 3.274 2.913 3.635 . 0 0 "[ . 1 . 2]" 1
1211 1 96 THR HA 1 99 GLN HB2 . . 3.630 2.451 2.024 2.838 . 0 0 "[ . 1 . 2]" 1
1212 1 96 THR HA 1 99 GLN HB3 . . 4.180 4.060 3.277 4.247 0.067 14 0 "[ . 1 . 2]" 1
1213 1 96 THR HB 1 97 GLN H . . 3.420 2.712 2.463 3.445 0.025 19 0 "[ . 1 . 2]" 1
1214 1 96 THR MG 1 97 GLN H . . 3.980 3.445 3.254 3.729 . 0 0 "[ . 1 . 2]" 1
1215 1 96 THR MG 1 97 GLN HA . . 4.480 3.533 3.177 3.838 . 0 0 "[ . 1 . 2]" 1
1216 1 96 THR MG 1 98 TYR H . . 4.870 4.970 4.942 4.990 0.120 14 0 "[ . 1 . 2]" 1
1217 1 96 THR MG 1 100 LYS QD . . 3.800 3.129 2.020 3.902 0.102 6 0 "[ . 1 . 2]" 1
1218 1 96 THR MG 1 100 LYS QE . . 3.630 2.419 1.943 3.451 . 0 0 "[ . 1 . 2]" 1
1219 1 96 THR MG 1 100 LYS QG . . 3.780 2.895 2.383 3.726 . 0 0 "[ . 1 . 2]" 1
1220 1 97 GLN H 1 97 GLN HB2 . . 3.470 2.509 2.105 3.379 . 0 0 "[ . 1 . 2]" 1
1221 1 97 GLN H 1 97 GLN HB3 . . 3.650 2.581 2.082 3.402 . 0 0 "[ . 1 . 2]" 1
1222 1 97 GLN H 1 98 TYR H . . 3.800 2.670 2.372 2.774 . 0 0 "[ . 1 . 2]" 1
1223 1 97 GLN HA 1 97 GLN HG3 . . 4.100 3.604 3.379 3.816 . 0 0 "[ . 1 . 2]" 1
1224 1 97 GLN HA 1 100 LYS H . . 4.160 3.604 3.104 3.926 . 0 0 "[ . 1 . 2]" 1
1225 1 97 GLN HA 1 100 LYS HB2 . . 4.050 3.175 2.418 4.083 0.033 20 0 "[ . 1 . 2]" 1
1226 1 97 GLN HA 1 100 LYS QD . . 3.900 2.745 1.979 3.993 0.093 5 0 "[ . 1 . 2]" 1
1227 1 97 GLN HB3 1 97 GLN HE22 . . 5.500 4.554 3.732 5.299 . 0 0 "[ . 1 . 2]" 1
1228 1 97 GLN HB3 1 98 TYR H . . 4.040 2.749 2.391 3.641 . 0 0 "[ . 1 . 2]" 1
1229 1 97 GLN HE21 1 101 GLU H . . 4.830 4.809 4.229 5.371 0.541 13 1 "[ . 1 + . 2]" 1
1230 1 97 GLN HE21 1 101 GLU HG3 . . 5.480 4.623 3.359 5.716 0.236 12 0 "[ . 1 . 2]" 1
1231 1 97 GLN HE22 1 98 TYR HA . . 5.290 4.188 2.446 5.376 0.086 4 0 "[ . 1 . 2]" 1
1232 1 97 GLN HE22 1 101 GLU H . . 5.500 5.169 4.138 5.580 0.080 20 0 "[ . 1 . 2]" 1
1233 1 97 GLN HE22 1 101 GLU HG2 . . 5.500 4.555 2.870 6.129 0.629 1 1 "[+ . 1 . 2]" 1
1234 1 98 TYR H 1 98 TYR HB2 . . 3.600 2.216 2.073 2.384 . 0 0 "[ . 1 . 2]" 1
1235 1 98 TYR H 1 98 TYR HB3 . . 3.800 3.331 2.722 3.619 . 0 0 "[ . 1 . 2]" 1
1236 1 98 TYR H 1 98 TYR QD . . 4.800 3.119 2.363 4.228 . 0 0 "[ . 1 . 2]" 1
1237 1 98 TYR H 1 99 GLN H . . 3.710 2.633 2.440 2.816 . 0 0 "[ . 1 . 2]" 1
1238 1 98 TYR HA 1 98 TYR QD . . 3.770 2.710 2.182 3.115 . 0 0 "[ . 1 . 2]" 1
1239 1 98 TYR HA 1 101 GLU H . . 4.620 3.964 3.301 4.557 . 0 0 "[ . 1 . 2]" 1
1240 1 98 TYR HB2 1 99 GLN H . . 3.790 3.075 2.673 3.656 . 0 0 "[ . 1 . 2]" 1
1241 1 98 TYR HB2 1 99 GLN QE . . 4.990 4.051 2.475 5.079 0.089 6 0 "[ . 1 . 2]" 1
1242 1 98 TYR QD 1 99 GLN H . . 4.510 4.521 3.841 4.608 0.098 9 0 "[ . 1 . 2]" 1
1243 1 99 GLN H 1 99 GLN HB2 . . 3.400 2.535 2.181 2.788 . 0 0 "[ . 1 . 2]" 1
1244 1 99 GLN H 1 99 GLN HB3 . . 3.680 3.578 3.382 3.687 0.007 9 0 "[ . 1 . 2]" 1
1245 1 99 GLN H 1 99 GLN HG2 . . 3.710 2.280 2.138 3.039 . 0 0 "[ . 1 . 2]" 1
1246 1 99 GLN H 1 99 GLN HG3 . . 3.500 3.593 3.414 3.786 0.286 3 0 "[ . 1 . 2]" 1
1247 1 99 GLN HA 1 99 GLN HG2 . . 3.610 3.246 2.900 3.756 0.146 3 0 "[ . 1 . 2]" 1
1248 1 99 GLN HA 1 99 GLN HG3 . . 3.850 3.737 3.158 3.900 0.050 9 0 "[ . 1 . 2]" 1
1249 1 99 GLN HB2 1 100 LYS H . . 5.240 3.136 2.576 3.642 . 0 0 "[ . 1 . 2]" 1
1250 1 99 GLN QE 1 103 GLU H . . 4.050 3.718 3.326 3.893 . 0 0 "[ . 1 . 2]" 1
1251 1 99 GLN HG3 1 100 LYS H . . 5.500 5.358 4.704 5.668 0.168 5 0 "[ . 1 . 2]" 1
1252 1 100 LYS H 1 100 LYS HB2 . . 3.510 2.370 2.199 2.768 . 0 0 "[ . 1 . 2]" 1
1253 1 100 LYS H 1 100 LYS QG . . 3.790 2.720 2.349 3.596 . 0 0 "[ . 1 . 2]" 1
1254 1 100 LYS H 1 101 GLU H . . 4.110 2.813 2.525 3.032 . 0 0 "[ . 1 . 2]" 1
1255 1 100 LYS HA 1 100 LYS QE . . 4.620 4.457 2.872 4.714 0.094 18 0 "[ . 1 . 2]" 1
1256 1 100 LYS HB2 1 100 LYS QE . . 3.870 3.846 2.143 4.245 0.375 5 0 "[ . 1 . 2]" 1
1257 1 100 LYS HB2 1 101 GLU H . . 3.620 2.767 2.339 3.328 . 0 0 "[ . 1 . 2]" 1
1258 1 100 LYS HB3 1 100 LYS QE . . 4.300 4.032 3.047 4.308 0.008 18 0 "[ . 1 . 2]" 1
1259 1 100 LYS QG 1 101 GLU H . . 4.880 4.308 4.031 4.549 . 0 0 "[ . 1 . 2]" 1
1260 1 101 GLU H 1 101 GLU HB3 . . 3.460 3.386 2.832 3.885 0.425 9 0 "[ . 1 . 2]" 1
1261 1 101 GLU H 1 101 GLU HG2 . . 3.650 2.961 1.809 3.953 0.303 1 0 "[ . 1 . 2]" 1
1262 1 101 GLU H 1 101 GLU HG3 . . 3.890 2.970 2.041 3.702 . 0 0 "[ . 1 . 2]" 1
1263 1 101 GLU HA 1 101 GLU HG2 . . 4.020 3.592 2.447 4.245 0.225 15 0 "[ . 1 . 2]" 1
1264 1 101 GLU HA 1 102 SER H . . 3.510 3.560 3.514 3.587 0.077 6 0 "[ . 1 . 2]" 1
1265 1 101 GLU HA 1 104 ALA H . . 3.890 3.516 2.989 3.927 0.037 5 0 "[ . 1 . 2]" 1
1266 1 101 GLU HA 1 104 ALA MB . . 3.300 2.678 2.237 3.290 . 0 0 "[ . 1 . 2]" 1
1267 1 101 GLU HA 1 105 TYR H . . 5.010 4.897 4.064 5.101 0.091 9 0 "[ . 1 . 2]" 1
1268 1 101 GLU HB2 1 102 SER H . . 3.790 3.433 2.242 3.875 0.085 15 0 "[ . 1 . 2]" 1
1269 1 101 GLU HG3 1 102 SER H . . 4.170 2.972 2.003 4.535 0.365 19 0 "[ . 1 . 2]" 1
1270 1 102 SER H 1 102 SER HB2 . . 3.740 2.411 2.063 2.918 . 0 0 "[ . 1 . 2]" 1
1271 1 102 SER H 1 102 SER HB3 . . 3.890 2.975 2.495 3.627 . 0 0 "[ . 1 . 2]" 1
1272 1 102 SER H 1 103 GLU H . . 3.540 2.943 2.668 3.465 . 0 0 "[ . 1 . 2]" 1
1273 1 102 SER HA 1 105 TYR H . . 3.910 3.572 3.057 3.967 0.057 5 0 "[ . 1 . 2]" 1
1274 1 102 SER HA 1 105 TYR HB2 . . 4.040 3.132 2.420 3.661 . 0 0 "[ . 1 . 2]" 1
1275 1 102 SER HA 1 105 TYR HB3 . . 3.710 3.401 2.846 3.984 0.274 5 0 "[ . 1 . 2]" 1
1276 1 102 SER HA 1 106 TYR H . . 5.110 3.784 3.248 4.516 . 0 0 "[ . 1 . 2]" 1
1277 1 102 SER HB2 1 103 GLU H . . 4.200 3.596 2.173 4.189 . 0 0 "[ . 1 . 2]" 1
1278 1 102 SER HB3 1 103 GLU H . . 4.160 3.097 2.113 4.219 0.059 15 0 "[ . 1 . 2]" 1
1279 1 103 GLU H 1 103 GLU QB . . 3.160 2.183 1.884 2.345 . 0 0 "[ . 1 . 2]" 1
1280 1 103 GLU H 1 103 GLU HG3 . . 4.440 4.395 3.710 4.703 0.263 4 0 "[ . 1 . 2]" 1
1281 1 103 GLU H 1 104 ALA H . . 3.300 2.625 2.303 2.948 . 0 0 "[ . 1 . 2]" 1
1282 1 103 GLU H 1 104 ALA MB . . 5.500 4.337 4.039 4.690 . 0 0 "[ . 1 . 2]" 1
1283 1 103 GLU H 1 105 TYR H . . 4.180 3.993 3.726 4.237 0.057 8 0 "[ . 1 . 2]" 1
1284 1 103 GLU HA 1 103 GLU QB . . 2.750 2.425 2.305 2.576 . 0 0 "[ . 1 . 2]" 1
1285 1 103 GLU HA 1 103 GLU HG3 . . 3.680 3.013 2.492 3.752 0.072 5 0 "[ . 1 . 2]" 1
1286 1 103 GLU HA 1 106 TYR HB2 . . 3.810 3.625 2.250 3.897 0.087 15 0 "[ . 1 . 2]" 1
1287 1 103 GLU HA 1 106 TYR HB3 . . 4.240 4.080 2.943 4.322 0.082 15 0 "[ . 1 . 2]" 1
1288 1 103 GLU QB 1 104 ALA H . . 3.550 3.153 2.438 3.642 0.092 5 0 "[ . 1 . 2]" 1
1289 1 104 ALA H 1 104 ALA MB . . 2.790 2.300 2.184 2.525 . 0 0 "[ . 1 . 2]" 1
1290 1 104 ALA H 1 105 TYR H . . 3.460 2.392 1.819 2.784 . 0 0 "[ . 1 . 2]" 1
1291 1 104 ALA H 1 105 TYR HB2 . . 4.850 4.171 3.654 4.619 . 0 0 "[ . 1 . 2]" 1
1292 1 104 ALA HA 1 105 TYR H . . 3.400 3.395 3.280 3.469 0.069 12 0 "[ . 1 . 2]" 1
1293 1 104 ALA MB 1 105 TYR H . . 3.300 3.087 2.696 3.357 0.057 4 0 "[ . 1 . 2]" 1
1294 1 104 ALA MB 1 106 TYR H . . 5.500 5.039 4.802 5.409 . 0 0 "[ . 1 . 2]" 1
1295 1 105 TYR H 1 105 TYR HB2 . . 3.030 2.399 2.063 2.735 . 0 0 "[ . 1 . 2]" 1
1296 1 105 TYR H 1 105 TYR HB3 . . 3.120 2.960 2.762 3.168 0.048 20 0 "[ . 1 . 2]" 1
1297 1 105 TYR H 1 105 TYR QD . . 4.550 4.155 3.654 4.434 . 0 0 "[ . 1 . 2]" 1
1298 1 105 TYR HA 1 105 TYR QD . . 3.120 2.841 2.381 3.075 . 0 0 "[ . 1 . 2]" 1
1299 1 105 TYR HA 1 106 TYR H . . 3.570 3.518 3.426 3.589 0.019 12 0 "[ . 1 . 2]" 1
1300 1 105 TYR HB2 1 106 TYR H . . 3.060 3.119 2.852 3.148 0.088 3 0 "[ . 1 . 2]" 1
1301 1 105 TYR HB3 1 106 TYR H . . 3.060 2.196 1.882 2.563 . 0 0 "[ . 1 . 2]" 1
1302 1 105 TYR QD 1 106 TYR H . . 4.620 3.918 3.407 4.270 . 0 0 "[ . 1 . 2]" 1
1303 1 105 TYR QD 1 106 TYR HA . . 4.040 4.048 3.614 4.136 0.096 19 0 "[ . 1 . 2]" 1
1304 1 106 TYR H 1 106 TYR HB2 . . 3.270 2.118 1.999 2.232 . 0 0 "[ . 1 . 2]" 1
1305 1 106 TYR H 1 106 TYR QD . . 4.170 3.149 2.620 3.539 . 0 0 "[ . 1 . 2]" 1
1306 1 106 TYR H 1 106 TYR QE . . 5.500 5.350 4.959 5.594 0.094 13 0 "[ . 1 . 2]" 1
1307 1 106 TYR H 1 107 GLN QB . . 5.070 4.497 4.027 4.921 . 0 0 "[ . 1 . 2]" 1
1308 1 106 TYR HA 1 106 TYR QD . . 2.900 2.858 2.299 2.995 0.095 15 0 "[ . 1 . 2]" 1
1309 1 106 TYR HA 1 107 GLN H . . 3.120 2.761 2.372 3.216 0.096 12 0 "[ . 1 . 2]" 1
1310 1 106 TYR HB2 1 107 GLN H . . 4.050 3.775 3.544 4.098 0.048 8 0 "[ . 1 . 2]" 1
1311 1 106 TYR QD 1 107 GLN QG . . 4.690 4.598 3.800 4.803 0.113 19 0 "[ . 1 . 2]" 1
1312 1 107 GLN H 1 107 GLN HA . . 2.860 2.473 2.146 2.935 0.075 20 0 "[ . 1 . 2]" 1
1313 1 107 GLN H 1 107 GLN QB . . 3.080 2.864 2.436 3.056 . 0 0 "[ . 1 . 2]" 1
1314 1 107 GLN H 1 107 GLN QG . . 3.550 3.421 2.701 3.656 0.106 20 0 "[ . 1 . 2]" 1
1315 1 107 GLN HA 1 107 GLN QG . . 3.230 2.530 2.069 3.346 0.116 12 0 "[ . 1 . 2]" 1
1316 1 107 GLN HA 1 108 ARG H . . 3.260 2.802 2.179 3.277 0.017 19 0 "[ . 1 . 2]" 1
1317 1 107 GLN QB 1 107 GLN HE21 . . 4.220 2.986 2.078 3.859 . 0 0 "[ . 1 . 2]" 1
1318 1 107 GLN QB 1 108 ARG HE . . 5.140 4.010 2.663 4.598 . 0 0 "[ . 1 . 2]" 1
1319 1 107 GLN HE21 1 108 ARG H . . 4.140 3.766 1.857 4.225 0.085 18 0 "[ . 1 . 2]" 1
1320 1 107 GLN HE21 1 108 ARG HE . . 4.850 4.222 2.715 4.933 0.083 11 0 "[ . 1 . 2]" 1
1321 1 107 GLN HE22 1 108 ARG HE . . 5.230 4.258 2.003 5.306 0.076 3 0 "[ . 1 . 2]" 1
1322 1 108 ARG H 1 108 ARG HB2 . . 3.350 3.115 2.310 3.912 0.562 2 3 "[ + . *- 1 . 2]" 1
1323 1 108 ARG H 1 108 ARG HB3 . . 3.830 3.716 3.361 3.921 0.091 5 0 "[ . 1 . 2]" 1
1324 1 108 ARG H 1 108 ARG QD . . 5.210 3.663 2.351 4.979 . 0 0 "[ . 1 . 2]" 1
1325 1 108 ARG H 1 108 ARG QG . . 3.850 3.193 1.831 3.949 0.099 20 0 "[ . 1 . 2]" 1
1326 1 108 ARG H 1 109 GLY H . . 4.120 3.990 2.550 4.218 0.098 16 0 "[ . 1 . 2]" 1
1327 1 108 ARG HA 1 108 ARG HB3 . . 2.830 2.469 2.194 2.902 0.072 6 0 "[ . 1 . 2]" 1
1328 1 108 ARG HA 1 109 GLY H . . 3.100 2.471 2.076 3.170 0.070 12 0 "[ . 1 . 2]" 1
1329 1 108 ARG HB2 1 108 ARG QD . . 3.090 2.742 2.179 3.339 0.249 2 0 "[ . 1 . 2]" 1
1330 1 108 ARG HB2 1 108 ARG HE . . 4.440 3.842 2.091 5.232 0.792 14 2 "[ -. 1 +. 2]" 1
1331 1 108 ARG HB2 1 108 ARG QG . . 2.540 2.346 2.087 2.573 0.033 6 0 "[ . 1 . 2]" 1
1332 1 108 ARG HB3 1 108 ARG QD . . 3.560 2.843 2.078 3.640 0.080 12 0 "[ . 1 . 2]" 1
1333 1 108 ARG HB3 1 108 ARG QG . . 2.500 2.275 2.094 2.567 0.067 7 0 "[ . 1 . 2]" 1
1334 1 108 ARG HB3 1 109 GLY H . . 4.080 3.116 1.871 4.593 0.513 14 1 "[ . 1 +. 2]" 1
1335 1 108 ARG QG 1 109 GLY H . . 4.300 3.978 3.109 4.396 0.096 5 0 "[ . 1 . 2]" 1
1336 1 109 GLY H 1 110 ALA H . . 2.740 2.338 1.662 2.811 0.071 17 0 "[ . 1 . 2]" 1
1337 1 109 GLY QA 1 110 ALA H . . 3.410 2.677 2.285 3.021 . 0 0 "[ . 1 . 2]" 1
1338 1 110 ALA H 1 110 ALA MB . . 3.420 2.692 2.166 3.214 . 0 0 "[ . 1 . 2]" 1
1339 1 110 ALA H 1 111 SER H . . 2.560 2.407 1.690 2.644 0.084 17 0 "[ . 1 . 2]" 1
1340 1 110 ALA HA 1 111 SER H . . 3.590 3.034 2.250 3.588 . 0 0 "[ . 1 . 2]" 1
1341 1 110 ALA MB 1 111 SER H . . 4.590 3.173 1.879 3.800 . 0 0 "[ . 1 . 2]" 1
1342 1 111 SER HA 1 111 SER QB . . 2.400 2.333 2.095 2.514 0.114 2 0 "[ . 1 . 2]" 1
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