Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591438 | 2n26 RC | 25587 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n26
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 1021
_Distance_constraint_stats_list.Viol_count 3877
_Distance_constraint_stats_list.Viol_total 8783.954
_Distance_constraint_stats_list.Viol_max 0.898
_Distance_constraint_stats_list.Viol_rms 0.0587
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.1133
_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 59 PRO 8.880 0.369 5 0 "[ . 1 . 2]"
1 60 TYR 32.080 0.403 14 0 "[ . 1 . 2]"
1 61 GLY 8.527 0.513 14 1 "[ . 1 +. 2]"
1 62 CYS 8.425 0.302 19 0 "[ . 1 . 2]"
1 63 GLU 2.299 0.560 2 1 "[ + . 1 . 2]"
1 64 GLU 4.190 0.171 3 0 "[ . 1 . 2]"
1 65 CYS 17.363 0.302 19 0 "[ . 1 . 2]"
1 66 GLY 10.530 0.246 18 0 "[ . 1 . 2]"
1 67 LYS 0.691 0.221 12 0 "[ . 1 . 2]"
1 68 SER 10.390 0.513 14 1 "[ . 1 +. 2]"
1 69 TYR 21.396 0.328 6 0 "[ . 1 . 2]"
1 70 ARG 0.224 0.124 8 0 "[ . 1 . 2]"
1 71 LEU 9.461 0.274 6 0 "[ . 1 . 2]"
1 72 ILE 15.511 0.305 13 0 "[ . 1 . 2]"
1 73 SER 2.400 0.141 4 0 "[ . 1 . 2]"
1 74 LEU 29.984 0.376 9 0 "[ . 1 . 2]"
1 75 LEU 39.874 0.336 9 0 "[ . 1 . 2]"
1 76 ASN 16.787 0.305 13 0 "[ . 1 . 2]"
1 77 LEU 20.783 0.305 13 0 "[ . 1 . 2]"
1 78 HIS 9.898 0.233 3 0 "[ . 1 . 2]"
1 79 LYS 6.783 0.188 11 0 "[ . 1 . 2]"
1 80 LYS 4.817 0.256 3 0 "[ . 1 . 2]"
1 81 ARG 7.407 0.554 1 1 "[+ . 1 . 2]"
1 82 HIS 11.087 0.276 20 0 "[ . 1 . 2]"
1 83 SER 1.208 0.107 18 0 "[ . 1 . 2]"
1 84 GLY 0.223 0.223 1 0 "[ . 1 . 2]"
1 85 GLU 12.550 0.826 1 2 "[+ . 1 -. 2]"
1 86 ALA 5.412 0.217 1 0 "[ . 1 . 2]"
1 87 ARG 28.123 0.826 1 2 "[+ . 1 -. 2]"
1 88 TYR 35.641 0.326 14 0 "[ . 1 . 2]"
1 89 ARG 13.682 0.314 3 0 "[ . 1 . 2]"
1 90 CYS 13.296 0.297 1 0 "[ . 1 . 2]"
1 91 GLU 8.412 0.403 15 0 "[ . 1 . 2]"
1 92 ASP 5.156 0.230 18 0 "[ . 1 . 2]"
1 93 CYS 16.412 0.297 1 0 "[ . 1 . 2]"
1 94 GLY 14.983 0.670 12 9 "[ - * *1*+* * **]"
1 95 LYS 21.803 0.670 12 9 "[ * * *1*+* * **]"
1 96 LEU 15.636 0.305 13 0 "[ . 1 . 2]"
1 97 PHE 28.735 0.252 13 0 "[ . 1 . 2]"
1 98 THR 6.929 0.216 12 0 "[ . 1 . 2]"
1 99 THR 13.947 0.251 2 0 "[ . 1 . 2]"
1 100 SER 6.370 0.183 4 0 "[ . 1 . 2]"
1 101 GLY 1.019 0.086 9 0 "[ . 1 . 2]"
1 102 ASN 12.418 0.256 8 0 "[ . 1 . 2]"
1 103 LEU 63.931 0.291 14 0 "[ . 1 . 2]"
1 104 LYS 22.839 0.362 2 0 "[ . 1 . 2]"
1 105 ARG 5.394 0.347 5 0 "[ . 1 . 2]"
1 106 HIS 9.756 0.275 12 0 "[ . 1 . 2]"
1 107 GLN 31.205 0.362 2 0 "[ . 1 . 2]"
1 108 LEU 15.762 0.842 20 2 "[ - . 1 . +]"
1 109 VAL 28.464 0.898 2 2 "[ + . 1 . -]"
1 110 HIS 21.108 0.281 6 0 "[ . 1 . 2]"
1 111 SER 1.469 0.236 20 0 "[ . 1 . 2]"
1 112 GLY 11.281 0.898 2 2 "[ + . 1 . -]"
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 59 PRO HA 1 59 PRO HG2 3.700 . 4.400 3.924 3.827 4.102 . 0 0 "[ . 1 . 2]" 1
2 1 59 PRO HA 1 59 PRO HG3 3.200 . 3.800 3.483 2.940 4.038 0.238 15 0 "[ . 1 . 2]" 1
3 1 59 PRO HA 1 60 TYR H 3.500 . 3.500 2.065 2.006 2.246 . 0 0 "[ . 1 . 2]" 1
4 1 59 PRO HB2 1 59 PRO HD2 3.900 . 4.600 3.402 2.920 4.034 . 0 0 "[ . 1 . 2]" 1
5 1 59 PRO HB2 1 59 PRO HD3 3.900 . 4.700 3.900 3.844 4.019 . 0 0 "[ . 1 . 2]" 1
6 1 59 PRO HB2 1 60 TYR H 4.400 . 5.300 3.811 2.652 4.029 . 0 0 "[ . 1 . 2]" 1
7 1 59 PRO HB3 1 59 PRO HD2 4.000 . 4.800 3.878 3.839 3.901 . 0 0 "[ . 1 . 2]" 1
8 1 59 PRO HB3 1 59 PRO HD3 4.100 . 4.900 3.606 2.944 4.040 . 0 0 "[ . 1 . 2]" 1
9 1 59 PRO HD2 1 60 TYR H 4.300 . 5.200 5.289 4.883 5.445 0.245 3 0 "[ . 1 . 2]" 1
10 1 59 PRO HD3 1 60 TYR H 4.300 . 5.200 5.449 5.323 5.569 0.369 5 0 "[ . 1 . 2]" 1
11 1 60 TYR H 1 60 TYR HB2 . . 3.800 2.554 2.414 2.660 . 0 0 "[ . 1 . 2]" 1
12 1 60 TYR H 1 60 TYR HB3 3.500 . 4.200 3.708 3.578 3.792 . 0 0 "[ . 1 . 2]" 1
13 1 60 TYR H 1 60 TYR QD 3.200 . 3.800 3.474 3.175 3.794 . 0 0 "[ . 1 . 2]" 1
14 1 60 TYR H 1 61 GLY H 3.700 . 4.400 4.099 3.780 4.416 0.016 9 0 "[ . 1 . 2]" 1
15 1 60 TYR H 1 68 SER HB2 3.300 . 4.000 4.246 4.006 4.403 0.403 14 0 "[ . 1 . 2]" 1
16 1 60 TYR H 1 68 SER HB3 3.500 . 4.200 3.940 3.279 4.382 0.182 9 0 "[ . 1 . 2]" 1
17 1 60 TYR H 1 69 TYR H 3.400 . 4.100 2.943 2.703 3.128 . 0 0 "[ . 1 . 2]" 1
18 1 60 TYR H 1 69 TYR HB2 3.600 . 4.300 4.275 4.126 4.395 0.095 9 0 "[ . 1 . 2]" 1
19 1 60 TYR H 1 70 ARG HA 3.500 . 4.200 3.727 2.815 4.236 0.036 9 0 "[ . 1 . 2]" 1
20 1 60 TYR H 1 75 LEU QD 3.500 . 4.200 4.296 4.178 4.393 0.193 2 0 "[ . 1 . 2]" 1
21 1 60 TYR H 1 75 LEU MD2 4.100 . 4.900 4.531 4.438 4.675 . 0 0 "[ . 1 . 2]" 1
22 1 60 TYR HA 1 61 GLY H 2.700 . 3.200 2.213 2.164 2.484 . 0 0 "[ . 1 . 2]" 1
23 1 60 TYR HB2 1 60 TYR QD 3.200 . 3.800 2.307 2.254 2.736 . 0 0 "[ . 1 . 2]" 1
24 1 60 TYR HB2 1 60 TYR QE 3.600 . 4.300 4.370 4.353 4.481 0.181 16 0 "[ . 1 . 2]" 1
25 1 60 TYR HB2 1 61 GLY H 3.800 . 4.600 4.397 3.792 4.454 . 0 0 "[ . 1 . 2]" 1
26 1 60 TYR HB2 1 69 TYR H 4.000 . 4.800 3.516 3.265 3.878 . 0 0 "[ . 1 . 2]" 1
27 1 60 TYR HB2 1 69 TYR HB2 3.700 . 4.400 3.402 3.076 3.967 . 0 0 "[ . 1 . 2]" 1
28 1 60 TYR HB2 1 72 ILE HA 4.100 . 4.900 3.597 3.442 3.770 . 0 0 "[ . 1 . 2]" 1
29 1 60 TYR HB2 1 72 ILE MD 3.900 . 4.700 3.419 2.976 3.559 . 0 0 "[ . 1 . 2]" 1
30 1 60 TYR HB2 1 72 ILE MD 4.300 . 5.200 3.377 2.908 3.512 . 0 0 "[ . 1 . 2]" 1
31 1 60 TYR HB2 1 75 LEU HB3 4.000 . 4.800 3.454 3.183 3.804 . 0 0 "[ . 1 . 2]" 1
32 1 60 TYR HB2 1 75 LEU MD1 3.400 . 4.100 4.312 4.176 4.410 0.310 9 0 "[ . 1 . 2]" 1
33 1 60 TYR HB2 1 75 LEU MD2 3.200 . 3.800 2.851 2.711 3.060 . 0 0 "[ . 1 . 2]" 1
34 1 60 TYR HB3 1 60 TYR QE 3.600 . 4.300 4.461 4.419 4.484 0.184 10 0 "[ . 1 . 2]" 1
35 1 60 TYR HB3 1 61 GLY H 3.700 . 4.400 3.723 2.361 4.009 . 0 0 "[ . 1 . 2]" 1
36 1 60 TYR HB3 1 69 TYR H 3.500 . 4.200 4.409 4.110 4.528 0.328 6 0 "[ . 1 . 2]" 1
37 1 60 TYR HB3 1 72 ILE HA 4.100 . 4.900 3.666 3.232 4.603 . 0 0 "[ . 1 . 2]" 1
38 1 60 TYR HB3 1 72 ILE MD 3.900 . 4.700 2.855 2.419 4.044 . 0 0 "[ . 1 . 2]" 1
39 1 60 TYR HB3 1 72 ILE MD 4.500 . 5.400 2.814 2.411 3.799 . 0 0 "[ . 1 . 2]" 1
40 1 60 TYR HB3 1 75 LEU HB3 3.800 . 4.600 3.437 3.226 3.907 . 0 0 "[ . 1 . 2]" 1
41 1 60 TYR HB3 1 75 LEU MD1 3.600 . 4.300 3.968 3.544 4.109 . 0 0 "[ . 1 . 2]" 1
42 1 60 TYR HB3 1 75 LEU MD2 3.300 . 4.000 1.900 1.696 2.152 0.104 9 0 "[ . 1 . 2]" 1
43 1 60 TYR QD 1 61 GLY H 3.800 . 4.600 4.116 3.601 4.366 . 0 0 "[ . 1 . 2]" 1
44 1 60 TYR QD 1 72 ILE HA 4.100 . 4.900 3.161 2.845 3.418 . 0 0 "[ . 1 . 2]" 1
45 1 60 TYR QD 1 72 ILE HB 4.100 . 4.900 4.833 4.610 4.925 0.025 17 0 "[ . 1 . 2]" 1
46 1 60 TYR QD 1 72 ILE MD 3.200 . 3.800 2.769 2.257 2.899 . 0 0 "[ . 1 . 2]" 1
47 1 60 TYR QD 1 72 ILE MD 3.200 . 3.800 2.708 1.914 2.875 . 0 0 "[ . 1 . 2]" 1
48 1 60 TYR QD 1 72 ILE HG12 4.300 . 5.200 3.293 2.948 5.001 . 0 0 "[ . 1 . 2]" 1
49 1 60 TYR QD 1 72 ILE HG13 4.200 . 5.000 4.571 4.385 4.710 . 0 0 "[ . 1 . 2]" 1
50 1 60 TYR QD 1 72 ILE MG 3.900 . 4.700 4.465 1.996 4.784 0.084 15 0 "[ . 1 . 2]" 1
51 1 60 TYR QD 1 75 LEU MD2 3.300 . 4.000 3.608 2.321 3.977 . 0 0 "[ . 1 . 2]" 1
52 1 60 TYR QE 1 72 ILE HA 3.700 . 4.400 4.385 4.245 4.586 0.186 16 0 "[ . 1 . 2]" 1
53 1 60 TYR QE 1 72 ILE HB 4.000 . 4.800 4.640 4.489 5.046 0.246 16 0 "[ . 1 . 2]" 1
54 1 60 TYR QE 1 72 ILE MD 3.200 . 3.800 2.953 2.388 3.178 . 0 0 "[ . 1 . 2]" 1
55 1 60 TYR QE 1 72 ILE MD 3.000 . 3.600 2.897 2.038 3.145 . 0 0 "[ . 1 . 2]" 1
56 1 60 TYR QE 1 72 ILE HG12 4.200 . 5.000 2.841 2.478 5.004 0.004 16 0 "[ . 1 . 2]" 1
57 1 60 TYR QE 1 72 ILE HG13 3.200 . 3.800 3.900 3.694 4.028 0.228 13 0 "[ . 1 . 2]" 1
58 1 61 GLY H 1 61 GLY HA3 2.700 . 3.200 2.445 2.379 2.692 . 0 0 "[ . 1 . 2]" 1
59 1 61 GLY H 1 62 CYS H 3.600 . 4.300 4.421 4.323 4.459 0.159 7 0 "[ . 1 . 2]" 1
60 1 61 GLY H 1 75 LEU QD 3.400 . 4.100 3.386 2.854 3.622 . 0 0 "[ . 1 . 2]" 1
61 1 61 GLY HA2 1 62 CYS H . . 3.700 2.109 2.047 2.236 . 0 0 "[ . 1 . 2]" 1
62 1 61 GLY HA2 1 68 SER HA 4.400 . 5.300 1.595 1.287 1.750 0.513 14 1 "[ . 1 +. 2]" 1
63 1 61 GLY HA2 1 69 TYR H 3.000 . 3.600 2.636 2.314 2.787 . 0 0 "[ . 1 . 2]" 1
64 1 61 GLY HA2 1 75 LEU QD 4.200 . 5.000 2.633 2.487 2.791 . 0 0 "[ . 1 . 2]" 1
65 1 61 GLY HA3 1 62 CYS H 3.200 . 3.800 2.863 2.695 2.947 . 0 0 "[ . 1 . 2]" 1
66 1 61 GLY HA3 1 69 TYR H 3.200 . 3.800 3.886 3.714 4.043 0.243 19 0 "[ . 1 . 2]" 1
67 1 62 CYS H 1 62 CYS HB2 3.300 . 4.000 2.235 2.028 2.566 . 0 0 "[ . 1 . 2]" 1
68 1 62 CYS H 1 62 CYS HB3 3.800 . 3.800 2.777 2.399 3.029 . 0 0 "[ . 1 . 2]" 1
69 1 62 CYS H 1 66 GLY H 4.100 . 4.900 4.345 3.964 4.849 . 0 0 "[ . 1 . 2]" 1
70 1 62 CYS H 1 67 LYS H 3.800 . 4.600 3.206 2.916 3.443 . 0 0 "[ . 1 . 2]" 1
71 1 62 CYS H 1 67 LYS QB 4.200 . 5.000 3.782 3.600 3.998 . 0 0 "[ . 1 . 2]" 1
72 1 62 CYS H 1 68 SER HA 4.200 . 4.300 3.142 2.657 3.477 . 0 0 "[ . 1 . 2]" 1
73 1 62 CYS H 1 75 LEU MD1 4.100 . 4.300 2.606 2.491 2.745 . 0 0 "[ . 1 . 2]" 1
74 1 62 CYS H 1 75 LEU MD2 3.500 . 4.200 4.243 4.131 4.312 0.112 6 0 "[ . 1 . 2]" 1
75 1 62 CYS HA 1 64 GLU H 3.800 . 4.600 3.442 3.065 4.167 . 0 0 "[ . 1 . 2]" 1
76 1 62 CYS HA 1 65 CYS H 3.800 . 4.600 4.533 4.330 4.902 0.302 19 0 "[ . 1 . 2]" 1
77 1 62 CYS HA 1 67 LYS H 4.200 . 5.000 4.891 4.693 5.030 0.030 10 0 "[ . 1 . 2]" 1
78 1 62 CYS HA 1 75 LEU MD1 4.400 . 5.300 2.417 1.981 2.909 . 0 0 "[ . 1 . 2]" 1
79 1 62 CYS HB2 1 64 GLU H 3.700 . 4.400 4.439 4.338 4.552 0.152 19 0 "[ . 1 . 2]" 1
80 1 62 CYS HB2 1 65 CYS H 3.300 . 4.000 4.121 4.014 4.223 0.223 17 0 "[ . 1 . 2]" 1
81 1 62 CYS HB2 1 66 GLY H 3.700 . 4.400 4.111 3.542 4.451 0.051 13 0 "[ . 1 . 2]" 1
82 1 62 CYS HB2 1 67 LYS H 3.400 . 4.100 3.310 2.569 3.663 . 0 0 "[ . 1 . 2]" 1
83 1 62 CYS HB2 1 75 LEU MD1 3.400 . 4.100 2.586 2.415 2.839 . 0 0 "[ . 1 . 2]" 1
84 1 62 CYS HB2 1 75 LEU QD 3.300 . 4.000 2.575 2.407 2.823 . 0 0 "[ . 1 . 2]" 1
85 1 62 CYS HB2 1 78 HIS HD2 3.100 . 3.700 2.804 2.406 3.042 . 0 0 "[ . 1 . 2]" 1
86 1 62 CYS HB3 1 65 CYS H 3.200 . 3.800 2.540 2.292 3.118 . 0 0 "[ . 1 . 2]" 1
87 1 62 CYS HB3 1 66 GLY H 3.500 . 4.200 2.456 2.102 2.925 . 0 0 "[ . 1 . 2]" 1
88 1 62 CYS HB3 1 67 LYS H 3.500 . 4.200 2.407 1.992 2.751 . 0 0 "[ . 1 . 2]" 1
89 1 62 CYS HB3 1 67 LYS QB 4.100 . 4.900 3.607 3.318 4.259 . 0 0 "[ . 1 . 2]" 1
90 1 62 CYS HB3 1 75 LEU MD1 3.400 . 4.100 3.839 3.682 4.143 0.043 16 0 "[ . 1 . 2]" 1
91 1 62 CYS HB3 1 75 LEU QD 3.600 . 4.300 3.788 3.637 4.079 . 0 0 "[ . 1 . 2]" 1
92 1 62 CYS HB3 1 78 HIS HD2 3.400 . 4.100 4.129 3.849 4.198 0.098 16 0 "[ . 1 . 2]" 1
93 1 63 GLU H 1 63 GLU QG 4.500 . 5.400 3.145 2.022 4.055 . 0 0 "[ . 1 . 2]" 1
94 1 63 GLU HA 1 63 GLU HB2 3.000 . 3.600 2.717 2.377 3.026 . 0 0 "[ . 1 . 2]" 1
95 1 63 GLU HA 1 63 GLU HB3 2.900 . 3.500 2.733 2.250 3.031 . 0 0 "[ . 1 . 2]" 1
96 1 63 GLU HA 1 63 GLU HG3 3.100 . 3.700 3.012 2.531 4.260 0.560 2 1 "[ + . 1 . 2]" 1
97 1 63 GLU HB2 1 64 GLU H . . 4.100 3.782 3.168 4.220 0.120 2 0 "[ . 1 . 2]" 1
98 1 63 GLU HB3 1 64 GLU H 3.400 . 4.100 3.672 2.779 4.271 0.171 3 0 "[ . 1 . 2]" 1
99 1 63 GLU QG 1 64 GLU H 3.600 . 4.300 4.124 3.155 4.429 0.129 17 0 "[ . 1 . 2]" 1
100 1 64 GLU H 1 64 GLU QB . . 3.200 2.280 1.967 2.945 . 0 0 "[ . 1 . 2]" 1
101 1 64 GLU H 1 64 GLU QG 3.800 . 3.800 3.192 1.730 3.766 0.070 3 0 "[ . 1 . 2]" 1
102 1 64 GLU H 1 65 CYS H 2.800 . 3.400 2.376 2.143 2.498 . 0 0 "[ . 1 . 2]" 1
103 1 64 GLU H 1 65 CYS HA 4.200 . 5.000 5.027 4.882 5.102 0.102 17 0 "[ . 1 . 2]" 1
104 1 64 GLU H 1 66 GLY H 4.000 . 4.300 3.383 3.088 3.606 . 0 0 "[ . 1 . 2]" 1
105 1 64 GLU HA 1 65 CYS H . . 3.800 3.547 3.494 3.581 . 0 0 "[ . 1 . 2]" 1
106 1 64 GLU QB 1 65 CYS H 3.400 . 3.600 3.078 2.793 3.416 . 0 0 "[ . 1 . 2]" 1
107 1 64 GLU QB 1 66 GLY H 3.800 . 4.600 4.537 4.296 4.745 0.145 19 0 "[ . 1 . 2]" 1
108 1 64 GLU QG 1 65 CYS H 3.600 . 4.200 2.735 2.068 3.217 . 0 0 "[ . 1 . 2]" 1
109 1 64 GLU QG 1 65 CYS HB2 4.200 . 5.000 4.297 3.868 4.880 . 0 0 "[ . 1 . 2]" 1
110 1 65 CYS H 1 65 CYS HB2 3.300 . 3.600 3.710 3.629 3.756 0.156 11 0 "[ . 1 . 2]" 1
111 1 65 CYS H 1 65 CYS HB3 3.000 . 3.600 3.228 3.020 3.403 . 0 0 "[ . 1 . 2]" 1
112 1 65 CYS H 1 66 GLY H 3.000 . 3.400 1.751 1.722 1.799 0.078 18 0 "[ . 1 . 2]" 1
113 1 65 CYS H 1 66 GLY HA2 3.100 . 3.700 3.923 3.900 3.946 0.246 18 0 "[ . 1 . 2]" 1
114 1 65 CYS H 1 66 GLY HA3 3.500 . 4.200 4.408 4.372 4.440 0.240 18 0 "[ . 1 . 2]" 1
115 1 65 CYS HA 1 65 CYS HB2 2.800 . 3.400 2.542 2.444 2.644 . 0 0 "[ . 1 . 2]" 1
116 1 65 CYS HA 1 66 GLY H 4.400 . 5.300 3.374 3.215 3.448 . 0 0 "[ . 1 . 2]" 1
117 1 65 CYS HB2 1 82 HIS HE1 3.200 . 3.800 3.893 3.743 3.960 0.160 10 0 "[ . 1 . 2]" 1
118 1 65 CYS HB3 1 82 HIS HE1 2.900 . 3.500 3.093 2.735 3.296 . 0 0 "[ . 1 . 2]" 1
119 1 66 GLY H 1 66 GLY HA3 3.000 . 3.600 2.850 2.752 2.890 . 0 0 "[ . 1 . 2]" 1
120 1 66 GLY H 1 67 LYS H 3.000 . 3.600 2.462 2.294 2.825 . 0 0 "[ . 1 . 2]" 1
121 1 66 GLY HA2 1 67 LYS H 3.500 . 4.200 2.975 2.838 3.123 . 0 0 "[ . 1 . 2]" 1
122 1 66 GLY HA3 1 67 LYS H 3.100 . 3.700 3.487 3.422 3.535 . 0 0 "[ . 1 . 2]" 1
123 1 67 LYS H 1 67 LYS QB 3.300 . 4.000 2.467 2.350 2.579 . 0 0 "[ . 1 . 2]" 1
124 1 67 LYS HA 1 68 SER H 2.600 . 3.100 2.173 2.149 2.200 . 0 0 "[ . 1 . 2]" 1
125 1 67 LYS QB 1 68 SER H 2.900 . 3.500 3.362 3.087 3.721 0.221 12 0 "[ . 1 . 2]" 1
126 1 68 SER H 1 68 SER HB2 3.300 . 4.000 3.164 2.876 3.411 . 0 0 "[ . 1 . 2]" 1
127 1 68 SER H 1 68 SER HB3 3.400 . 4.100 3.517 3.321 3.730 . 0 0 "[ . 1 . 2]" 1
128 1 68 SER HA 1 69 TYR H 3.000 . 3.600 2.155 2.055 2.211 . 0 0 "[ . 1 . 2]" 1
129 1 68 SER HB2 1 69 TYR H . . 3.700 3.434 3.026 3.598 . 0 0 "[ . 1 . 2]" 1
130 1 68 SER HB3 1 69 TYR H . . 3.500 3.319 2.922 3.585 0.085 19 0 "[ . 1 . 2]" 1
131 1 69 TYR H 1 69 TYR HB2 . . 4.100 2.492 2.421 2.566 . 0 0 "[ . 1 . 2]" 1
132 1 69 TYR H 1 69 TYR HB3 3.100 . 3.700 3.673 3.614 3.725 0.025 19 0 "[ . 1 . 2]" 1
133 1 69 TYR H 1 69 TYR QD 3.300 . 3.800 2.866 2.624 3.028 . 0 0 "[ . 1 . 2]" 1
134 1 69 TYR H 1 70 ARG H 4.500 . 5.400 4.463 4.388 4.504 . 0 0 "[ . 1 . 2]" 1
135 1 69 TYR H 1 75 LEU MD1 3.300 . 4.000 3.542 3.305 3.746 . 0 0 "[ . 1 . 2]" 1
136 1 69 TYR H 1 75 LEU MD2 3.300 . 4.000 4.030 3.943 4.082 0.082 14 0 "[ . 1 . 2]" 1
137 1 69 TYR HA 1 70 ARG H 3.800 . 4.600 2.343 2.187 2.601 . 0 0 "[ . 1 . 2]" 1
138 1 69 TYR HA 1 71 LEU H 3.800 . 4.600 4.334 3.913 4.617 0.017 7 0 "[ . 1 . 2]" 1
139 1 69 TYR HB2 1 69 TYR QD 3.300 . 4.000 2.473 2.413 2.528 . 0 0 "[ . 1 . 2]" 1
140 1 69 TYR HB2 1 69 TYR QE 3.600 . 4.300 4.415 4.399 4.431 0.131 11 0 "[ . 1 . 2]" 1
141 1 69 TYR HB2 1 70 ARG H 4.400 . 5.300 3.828 3.415 4.238 . 0 0 "[ . 1 . 2]" 1
142 1 69 TYR HB2 1 71 LEU H 4.100 . 4.100 4.104 3.710 4.201 0.101 7 0 "[ . 1 . 2]" 1
143 1 69 TYR HB2 1 74 LEU HB3 4.000 . 4.800 3.119 2.956 3.390 . 0 0 "[ . 1 . 2]" 1
144 1 69 TYR HB2 1 74 LEU MD1 4.900 . 4.900 4.045 3.797 4.354 . 0 0 "[ . 1 . 2]" 1
145 1 69 TYR HB2 1 74 LEU MD2 3.600 . 4.300 4.522 4.456 4.577 0.277 6 0 "[ . 1 . 2]" 1
146 1 69 TYR HB2 1 75 LEU H 3.600 . 4.300 3.207 3.087 3.404 . 0 0 "[ . 1 . 2]" 1
147 1 69 TYR HB2 1 75 LEU HB2 4.100 . 4.900 1.845 1.756 1.938 0.044 16 0 "[ . 1 . 2]" 1
148 1 69 TYR HB2 1 75 LEU MD1 . . 4.200 3.256 2.980 3.426 . 0 0 "[ . 1 . 2]" 1
149 1 69 TYR HB2 1 75 LEU MD2 3.600 . 4.300 3.735 3.654 3.817 . 0 0 "[ . 1 . 2]" 1
150 1 69 TYR HB3 1 69 TYR QD 3.100 . 3.700 2.307 2.249 2.366 . 0 0 "[ . 1 . 2]" 1
151 1 69 TYR HB3 1 69 TYR QE 3.700 . 4.400 4.376 4.350 4.400 . 0 0 "[ . 1 . 2]" 1
152 1 69 TYR HB3 1 70 ARG H 4.300 . 5.200 2.524 2.000 3.229 . 0 0 "[ . 1 . 2]" 1
153 1 69 TYR HB3 1 71 LEU H 3.600 . 4.300 2.759 2.472 2.937 . 0 0 "[ . 1 . 2]" 1
154 1 69 TYR HB3 1 74 LEU H 4.200 . 5.000 4.656 4.497 4.950 . 0 0 "[ . 1 . 2]" 1
155 1 69 TYR HB3 1 74 LEU HB2 4.300 . 5.200 3.014 2.685 3.412 . 0 0 "[ . 1 . 2]" 1
156 1 69 TYR HB3 1 74 LEU HB3 4.100 . 4.900 1.854 1.652 2.097 0.148 19 0 "[ . 1 . 2]" 1
157 1 69 TYR HB3 1 74 LEU MD1 4.500 . 5.400 2.514 2.244 2.833 . 0 0 "[ . 1 . 2]" 1
158 1 69 TYR HB3 1 74 LEU MD2 4.000 . 4.800 3.412 3.325 3.521 . 0 0 "[ . 1 . 2]" 1
159 1 69 TYR HB3 1 75 LEU H . . 4.300 3.228 3.048 3.529 . 0 0 "[ . 1 . 2]" 1
160 1 69 TYR HB3 1 75 LEU HB2 4.100 . 4.900 3.311 3.146 3.408 . 0 0 "[ . 1 . 2]" 1
161 1 69 TYR HB3 1 75 LEU HB3 4.100 . 4.900 4.222 4.098 4.371 . 0 0 "[ . 1 . 2]" 1
162 1 69 TYR HB3 1 75 LEU MD1 4.000 . 4.800 4.668 4.402 4.832 0.032 5 0 "[ . 1 . 2]" 1
163 1 69 TYR HB3 1 75 LEU MD2 4.100 . 4.900 5.039 4.958 5.102 0.202 11 0 "[ . 1 . 2]" 1
164 1 69 TYR QD 1 74 LEU HB2 3.200 . 3.800 3.714 3.621 3.819 0.019 17 0 "[ . 1 . 2]" 1
165 1 69 TYR QD 1 74 LEU HB3 3.000 . 3.600 2.177 2.023 2.322 . 0 0 "[ . 1 . 2]" 1
166 1 69 TYR QD 1 74 LEU MD1 3.100 . 3.700 1.951 1.789 2.311 0.011 8 0 "[ . 1 . 2]" 1
167 1 69 TYR QD 1 74 LEU MD2 3.700 . 3.700 1.754 1.725 1.781 0.075 16 0 "[ . 1 . 2]" 1
168 1 69 TYR QD 1 75 LEU HA 3.400 . 4.100 3.179 2.984 3.379 . 0 0 "[ . 1 . 2]" 1
169 1 69 TYR QD 1 75 LEU MD1 2.800 . 3.400 2.638 2.540 2.728 . 0 0 "[ . 1 . 2]" 1
170 1 69 TYR QE 1 74 LEU HA 4.000 . 4.800 4.880 4.832 4.926 0.126 20 0 "[ . 1 . 2]" 1
171 1 69 TYR QE 1 74 LEU MD1 3.400 . 4.100 3.812 3.579 4.145 0.045 19 0 "[ . 1 . 2]" 1
172 1 69 TYR QE 1 74 LEU MD2 . . 4.200 2.400 2.152 2.718 . 0 0 "[ . 1 . 2]" 1
173 1 69 TYR QE 1 75 LEU HA 3.700 . 4.400 3.888 3.681 4.034 . 0 0 "[ . 1 . 2]" 1
174 1 69 TYR QE 1 75 LEU MD1 3.000 . 3.600 3.601 3.439 3.691 0.091 5 0 "[ . 1 . 2]" 1
175 1 69 TYR QE 1 78 HIS HB2 3.600 . 4.300 2.937 2.688 3.149 . 0 0 "[ . 1 . 2]" 1
176 1 70 ARG H 1 70 ARG HB2 3.700 . 4.400 2.741 2.272 3.653 . 0 0 "[ . 1 . 2]" 1
177 1 70 ARG H 1 70 ARG QG 4.600 . 5.500 3.120 1.763 4.032 0.037 4 0 "[ . 1 . 2]" 1
178 1 70 ARG H 1 70 ARG HG3 4.000 . 4.800 3.898 2.401 4.511 . 0 0 "[ . 1 . 2]" 1
179 1 70 ARG H 1 71 LEU H 4.000 . 4.800 2.471 2.165 2.651 . 0 0 "[ . 1 . 2]" 1
180 1 70 ARG H 1 74 LEU HB3 4.300 . 5.200 3.677 3.154 4.379 . 0 0 "[ . 1 . 2]" 1
181 1 70 ARG HA 1 71 LEU H 3.800 . 4.600 3.531 3.423 3.560 . 0 0 "[ . 1 . 2]" 1
182 1 70 ARG QB 1 70 ARG HG2 2.500 . 3.000 2.268 2.151 2.376 . 0 0 "[ . 1 . 2]" 1
183 1 70 ARG QB 1 71 LEU H 3.200 . 3.800 2.766 2.519 3.753 . 0 0 "[ . 1 . 2]" 1
184 1 70 ARG QB 1 71 LEU QD 3.200 . 3.800 2.273 1.880 3.103 . 0 0 "[ . 1 . 2]" 1
185 1 70 ARG QG 1 71 LEU QD 3.300 . 4.000 2.486 1.676 3.593 0.124 8 0 "[ . 1 . 2]" 1
186 1 71 LEU H 1 71 LEU HB2 . . 4.100 2.471 2.271 2.808 . 0 0 "[ . 1 . 2]" 1
187 1 71 LEU H 1 71 LEU HB3 3.200 . 3.800 3.648 3.518 3.832 0.032 4 0 "[ . 1 . 2]" 1
188 1 71 LEU H 1 71 LEU QD 3.400 . 4.000 2.523 2.261 3.354 . 0 0 "[ . 1 . 2]" 1
189 1 71 LEU H 1 71 LEU HG 3.400 . 4.100 4.153 2.615 4.374 0.274 6 0 "[ . 1 . 2]" 1
190 1 71 LEU H 1 72 ILE H 3.900 . 4.700 4.506 4.448 4.540 . 0 0 "[ . 1 . 2]" 1
191 1 71 LEU H 1 74 LEU H 3.700 . 4.400 3.970 3.767 4.258 . 0 0 "[ . 1 . 2]" 1
192 1 71 LEU H 1 74 LEU HA 4.500 . 5.400 5.051 4.852 5.315 . 0 0 "[ . 1 . 2]" 1
193 1 71 LEU H 1 74 LEU HB2 3.300 . 4.000 2.293 2.075 2.531 . 0 0 "[ . 1 . 2]" 1
194 1 71 LEU H 1 74 LEU HB3 3.300 . 4.000 2.941 2.624 3.341 . 0 0 "[ . 1 . 2]" 1
195 1 71 LEU H 1 74 LEU MD1 3.700 . 4.000 1.943 1.773 2.230 0.027 2 0 "[ . 1 . 2]" 1
196 1 71 LEU H 1 74 LEU MD2 3.600 . 4.100 4.221 4.102 4.314 0.214 16 0 "[ . 1 . 2]" 1
197 1 71 LEU H 1 74 LEU HG 3.500 . 4.200 3.771 3.482 4.151 . 0 0 "[ . 1 . 2]" 1
198 1 71 LEU H 1 75 LEU H 3.900 . 4.700 4.173 3.956 4.445 . 0 0 "[ . 1 . 2]" 1
199 1 71 LEU HA 1 71 LEU QD 3.800 . 4.400 2.132 1.954 2.319 . 0 0 "[ . 1 . 2]" 1
200 1 71 LEU HA 1 72 ILE H . . 3.700 2.294 2.200 2.400 . 0 0 "[ . 1 . 2]" 1
201 1 71 LEU HA 1 72 ILE MD 4.300 . 5.200 4.835 3.354 5.183 . 0 0 "[ . 1 . 2]" 1
202 1 71 LEU HA 1 74 LEU H 4.200 . 5.000 4.317 4.152 4.545 . 0 0 "[ . 1 . 2]" 1
203 1 71 LEU HB2 1 72 ILE H 3.800 . 4.600 3.814 3.264 4.119 . 0 0 "[ . 1 . 2]" 1
204 1 71 LEU HB2 1 74 LEU H 4.400 . 5.300 2.320 2.029 2.692 . 0 0 "[ . 1 . 2]" 1
205 1 71 LEU HB2 1 75 LEU H 3.400 . 4.100 4.153 4.052 4.222 0.122 3 0 "[ . 1 . 2]" 1
206 1 71 LEU HB3 1 72 ILE H 3.600 . 4.300 2.661 2.363 2.930 . 0 0 "[ . 1 . 2]" 1
207 1 71 LEU HB3 1 72 ILE HA 4.200 . 5.000 4.701 4.538 4.838 . 0 0 "[ . 1 . 2]" 1
208 1 71 LEU HB3 1 74 LEU H 4.300 . 5.200 2.623 2.084 3.277 . 0 0 "[ . 1 . 2]" 1
209 1 71 LEU HB3 1 74 LEU MD1 4.100 . 4.900 4.036 3.581 4.444 . 0 0 "[ . 1 . 2]" 1
210 1 71 LEU MD1 1 71 LEU MD2 2.300 . 2.500 2.070 2.052 2.082 . 0 0 "[ . 1 . 2]" 1
211 1 71 LEU QD 1 72 ILE H . . 4.000 3.688 3.426 3.885 . 0 0 "[ . 1 . 2]" 1
212 1 71 LEU QD 1 73 SER H 4.300 . 5.200 4.254 3.819 4.519 . 0 0 "[ . 1 . 2]" 1
213 1 71 LEU QD 1 74 LEU H 3.700 . 3.800 3.531 3.367 3.696 . 0 0 "[ . 1 . 2]" 1
214 1 71 LEU QD 1 74 LEU MD1 2.800 . 3.100 2.029 1.718 2.641 0.082 1 0 "[ . 1 . 2]" 1
215 1 71 LEU HG 1 72 ILE H 3.900 . 4.700 4.235 3.547 4.879 0.179 14 0 "[ . 1 . 2]" 1
216 1 72 ILE H 1 72 ILE HB 2.900 . 3.500 2.413 2.295 2.847 . 0 0 "[ . 1 . 2]" 1
217 1 72 ILE H 1 72 ILE MD 3.800 . 3.800 3.599 2.505 3.820 0.020 13 0 "[ . 1 . 2]" 1
218 1 72 ILE H 1 72 ILE HG12 . . 3.800 2.464 1.957 2.641 . 0 0 "[ . 1 . 2]" 1
219 1 72 ILE H 1 72 ILE HG13 . . 4.100 3.720 3.532 3.819 . 0 0 "[ . 1 . 2]" 1
220 1 72 ILE H 1 72 ILE MG 3.200 . 3.800 3.732 3.688 3.780 . 0 0 "[ . 1 . 2]" 1
221 1 72 ILE H 1 73 SER H 3.800 . 4.600 2.628 2.527 2.736 . 0 0 "[ . 1 . 2]" 1
222 1 72 ILE H 1 74 LEU H 3.600 . 4.300 3.877 3.672 3.994 . 0 0 "[ . 1 . 2]" 1
223 1 72 ILE HA 1 72 ILE HB 3.000 . 3.600 3.011 2.998 3.021 . 0 0 "[ . 1 . 2]" 1
224 1 72 ILE HA 1 72 ILE MD 3.200 . 3.800 1.975 1.878 2.182 . 0 0 "[ . 1 . 2]" 1
225 1 72 ILE HA 1 72 ILE HG12 3.900 . 4.000 2.798 2.668 3.426 . 0 0 "[ . 1 . 2]" 1
226 1 72 ILE HA 1 72 ILE HG13 3.500 . 4.200 3.670 3.625 3.807 . 0 0 "[ . 1 . 2]" 1
227 1 72 ILE HA 1 72 ILE MG 3.400 . 3.800 2.523 2.238 2.622 . 0 0 "[ . 1 . 2]" 1
228 1 72 ILE HA 1 74 LEU H 4.000 . 4.800 4.235 4.103 4.361 . 0 0 "[ . 1 . 2]" 1
229 1 72 ILE HA 1 75 LEU H 3.800 . 4.100 3.478 3.393 3.566 . 0 0 "[ . 1 . 2]" 1
230 1 72 ILE HA 1 75 LEU HB2 4.300 . 5.200 4.331 4.160 4.562 . 0 0 "[ . 1 . 2]" 1
231 1 72 ILE HA 1 75 LEU HB3 3.700 . 4.300 2.893 2.752 3.053 . 0 0 "[ . 1 . 2]" 1
232 1 72 ILE HA 1 75 LEU MD2 3.500 . 4.200 3.277 2.991 3.486 . 0 0 "[ . 1 . 2]" 1
233 1 72 ILE HB 1 72 ILE MD 2.800 . 3.400 3.222 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
234 1 72 ILE HB 1 72 ILE HG12 3.000 . 3.600 2.496 2.400 2.526 . 0 0 "[ . 1 . 2]" 1
235 1 72 ILE HB 1 72 ILE HG13 3.000 . 3.600 2.415 2.385 2.518 . 0 0 "[ . 1 . 2]" 1
236 1 72 ILE HB 1 73 SER H 3.800 . 4.600 2.611 2.477 2.700 . 0 0 "[ . 1 . 2]" 1
237 1 72 ILE HB 1 76 ASN HD22 4.200 . 5.000 5.106 4.389 5.240 0.240 13 0 "[ . 1 . 2]" 1
238 1 72 ILE MD 1 72 ILE HG12 2.200 . 2.600 2.117 2.113 2.120 . 0 0 "[ . 1 . 2]" 1
239 1 72 ILE MD 1 73 SER H 3.600 . 4.300 3.067 2.812 3.567 . 0 0 "[ . 1 . 2]" 1
240 1 72 ILE MD 1 75 LEU MD2 2.800 . 3.400 2.787 2.466 3.115 . 0 0 "[ . 1 . 2]" 1
241 1 72 ILE MD 1 76 ASN QB 4.300 . 5.200 2.977 2.820 3.400 . 0 0 "[ . 1 . 2]" 1
242 1 72 ILE MD 1 76 ASN HD21 3.400 . 4.100 2.360 1.929 2.760 . 0 0 "[ . 1 . 2]" 1
243 1 72 ILE MD 1 76 ASN HD22 3.300 . 4.000 3.197 2.220 3.810 . 0 0 "[ . 1 . 2]" 1
244 1 72 ILE MD 1 75 LEU H 4.000 . 4.800 4.858 4.800 4.903 0.103 17 0 "[ . 1 . 2]" 1
245 1 72 ILE MD 1 75 LEU HB3 3.500 . 4.200 3.771 3.547 4.337 0.137 16 0 "[ . 1 . 2]" 1
246 1 72 ILE HG12 1 72 ILE MG 2.600 . 3.100 3.187 3.183 3.194 0.094 10 0 "[ . 1 . 2]" 1
247 1 72 ILE HG12 1 73 SER H 3.800 . 4.600 4.392 3.719 4.549 . 0 0 "[ . 1 . 2]" 1
248 1 72 ILE HG12 1 75 LEU H 3.200 . 3.800 3.973 3.882 4.025 0.225 14 0 "[ . 1 . 2]" 1
249 1 72 ILE HG12 1 76 ASN HD21 4.200 . 5.000 4.403 4.155 5.226 0.226 5 0 "[ . 1 . 2]" 1
250 1 72 ILE HG13 1 72 ILE MG 2.700 . 2.900 2.417 2.308 2.465 . 0 0 "[ . 1 . 2]" 1
251 1 72 ILE HG13 1 76 ASN HD21 3.900 . 4.700 4.403 3.564 4.772 0.072 13 0 "[ . 1 . 2]" 1
252 1 72 ILE HG13 1 76 ASN HD22 3.800 . 4.600 4.221 2.944 4.905 0.305 13 0 "[ . 1 . 2]" 1
253 1 72 ILE MG 1 73 SER H 3.700 . 4.400 3.123 2.837 3.816 . 0 0 "[ . 1 . 2]" 1
254 1 72 ILE MG 1 73 SER HA 3.900 . 4.700 3.211 2.959 4.035 . 0 0 "[ . 1 . 2]" 1
255 1 72 ILE MG 1 76 ASN H 3.300 . 4.000 4.016 3.975 4.131 0.131 16 0 "[ . 1 . 2]" 1
256 1 72 ILE MG 1 76 ASN QB 4.000 . 4.800 3.001 2.839 3.428 . 0 0 "[ . 1 . 2]" 1
257 1 73 SER H 1 74 LEU H 3.800 . 4.600 2.616 2.496 2.691 . 0 0 "[ . 1 . 2]" 1
258 1 73 SER HA 1 74 LEU H 3.200 . 3.800 3.485 3.443 3.519 . 0 0 "[ . 1 . 2]" 1
259 1 73 SER HA 1 75 LEU H 3.700 . 4.400 4.514 4.476 4.541 0.141 4 0 "[ . 1 . 2]" 1
260 1 73 SER HA 1 76 ASN H 3.300 . 4.000 3.180 3.053 3.258 . 0 0 "[ . 1 . 2]" 1
261 1 73 SER HA 1 76 ASN QB 3.800 . 4.600 1.909 1.763 2.075 0.037 17 0 "[ . 1 . 2]" 1
262 1 73 SER HA 1 76 ASN HD21 3.900 . 4.700 3.586 2.463 4.023 . 0 0 "[ . 1 . 2]" 1
263 1 73 SER HA 1 76 ASN HD22 4.200 . 5.000 4.697 4.055 5.014 0.014 7 0 "[ . 1 . 2]" 1
264 1 74 LEU H 1 74 LEU HB2 . . 3.700 1.990 1.968 2.021 . 0 0 "[ . 1 . 2]" 1
265 1 74 LEU H 1 74 LEU HB3 . . 3.600 3.260 3.134 3.341 . 0 0 "[ . 1 . 2]" 1
266 1 74 LEU H 1 74 LEU MD1 3.800 . 4.000 3.975 3.844 4.072 0.072 6 0 "[ . 1 . 2]" 1
267 1 74 LEU H 1 74 LEU MD2 3.000 . 3.600 3.873 3.808 3.976 0.376 9 0 "[ . 1 . 2]" 1
268 1 74 LEU H 1 74 LEU HG 3.000 . 3.600 3.358 3.139 3.614 0.014 9 0 "[ . 1 . 2]" 1
269 1 74 LEU H 1 75 LEU H 3.300 . 3.800 2.785 2.690 2.892 . 0 0 "[ . 1 . 2]" 1
270 1 74 LEU H 1 76 ASN H 4.000 . 4.800 3.666 3.574 3.782 . 0 0 "[ . 1 . 2]" 1
271 1 74 LEU HA 1 74 LEU HB2 2.900 . 3.500 2.873 2.818 2.914 . 0 0 "[ . 1 . 2]" 1
272 1 74 LEU HA 1 74 LEU MD1 3.700 . 4.000 3.753 3.736 3.780 . 0 0 "[ . 1 . 2]" 1
273 1 74 LEU HA 1 74 LEU MD2 2.900 . 3.100 1.792 1.771 1.876 0.029 20 0 "[ . 1 . 2]" 1
274 1 74 LEU HA 1 74 LEU HG 2.600 . 3.100 2.651 2.559 2.728 . 0 0 "[ . 1 . 2]" 1
275 1 74 LEU HA 1 75 LEU H 3.800 . 4.600 3.492 3.475 3.518 . 0 0 "[ . 1 . 2]" 1
276 1 74 LEU HA 1 76 ASN H 3.300 . 4.000 4.125 4.087 4.182 0.182 5 0 "[ . 1 . 2]" 1
277 1 74 LEU HA 1 77 LEU H 3.400 . 3.400 3.574 3.501 3.666 0.266 7 0 "[ . 1 . 2]" 1
278 1 74 LEU HB2 1 74 LEU MD2 3.000 . 3.600 3.115 3.103 3.128 . 0 0 "[ . 1 . 2]" 1
279 1 74 LEU HB2 1 75 LEU H 3.100 . 3.700 2.780 2.619 3.014 . 0 0 "[ . 1 . 2]" 1
280 1 74 LEU HB2 1 75 LEU HA 4.100 . 4.900 5.008 4.854 5.236 0.336 9 0 "[ . 1 . 2]" 1
281 1 74 LEU HB2 1 77 LEU H 3.500 . 4.200 4.179 4.061 4.316 0.116 18 0 "[ . 1 . 2]" 1
282 1 74 LEU HB3 1 74 LEU MD1 . . 3.000 2.309 2.270 2.342 . 0 0 "[ . 1 . 2]" 1
283 1 74 LEU HB3 1 74 LEU MD2 3.100 . 3.400 2.288 2.218 2.340 . 0 0 "[ . 1 . 2]" 1
284 1 74 LEU HB3 1 75 LEU H 3.100 . 3.700 2.531 2.435 2.628 . 0 0 "[ . 1 . 2]" 1
285 1 74 LEU MD1 1 74 LEU MD2 2.400 . 2.900 2.093 2.058 2.106 . 0 0 "[ . 1 . 2]" 1
286 1 74 LEU MD1 1 75 LEU H 3.700 . 4.400 4.322 4.221 4.407 0.007 5 0 "[ . 1 . 2]" 1
287 1 74 LEU MD2 1 75 LEU H 3.600 . 4.300 4.031 3.920 4.091 . 0 0 "[ . 1 . 2]" 1
288 1 74 LEU MD2 1 75 LEU HA 4.400 . 5.300 4.319 4.104 4.498 . 0 0 "[ . 1 . 2]" 1
289 1 74 LEU MD2 1 76 ASN H 4.200 . 5.000 5.077 4.990 5.125 0.125 4 0 "[ . 1 . 2]" 1
290 1 74 LEU MD2 1 77 LEU H 3.900 . 4.700 4.551 4.408 4.704 0.004 19 0 "[ . 1 . 2]" 1
291 1 74 LEU MD2 1 78 HIS H 4.200 . 5.000 4.485 4.206 4.704 . 0 0 "[ . 1 . 2]" 1
292 1 75 LEU H 1 75 LEU HB2 . . 3.700 2.755 2.675 2.861 . 0 0 "[ . 1 . 2]" 1
293 1 75 LEU H 1 75 LEU HB3 . . 3.700 2.159 2.095 2.252 . 0 0 "[ . 1 . 2]" 1
294 1 75 LEU H 1 75 LEU MD1 3.700 . 4.400 4.257 4.177 4.297 . 0 0 "[ . 1 . 2]" 1
295 1 75 LEU H 1 75 LEU MD2 3.200 . 3.800 3.952 3.919 4.001 0.201 6 0 "[ . 1 . 2]" 1
296 1 75 LEU H 1 76 ASN H 3.200 . 3.600 2.370 2.324 2.428 . 0 0 "[ . 1 . 2]" 1
297 1 75 LEU H 1 76 ASN HA 4.300 . 5.200 5.016 4.957 5.070 . 0 0 "[ . 1 . 2]" 1
298 1 75 LEU H 1 77 LEU H 4.000 . 4.800 4.049 3.968 4.120 . 0 0 "[ . 1 . 2]" 1
299 1 75 LEU H 1 78 HIS H 3.600 . 4.300 4.489 4.445 4.533 0.233 3 0 "[ . 1 . 2]" 1
300 1 75 LEU HA 1 75 LEU MD1 3.200 . 3.800 2.420 2.285 2.537 . 0 0 "[ . 1 . 2]" 1
301 1 75 LEU HA 1 75 LEU MD2 3.800 . 4.100 3.952 3.920 3.974 . 0 0 "[ . 1 . 2]" 1
302 1 75 LEU HA 1 76 ASN H 3.300 . 4.000 3.417 3.391 3.458 . 0 0 "[ . 1 . 2]" 1
303 1 75 LEU HA 1 78 HIS H 3.300 . 4.000 3.062 2.926 3.337 . 0 0 "[ . 1 . 2]" 1
304 1 75 LEU HA 1 78 HIS HB2 3.700 . 4.400 2.896 2.662 3.296 . 0 0 "[ . 1 . 2]" 1
305 1 75 LEU HA 1 78 HIS HB3 4.000 . 4.800 2.074 1.985 2.205 . 0 0 "[ . 1 . 2]" 1
306 1 75 LEU HA 1 79 LYS H 4.000 . 4.800 3.984 3.849 4.084 . 0 0 "[ . 1 . 2]" 1
307 1 75 LEU HB2 1 75 LEU MD1 3.400 . 4.100 2.244 2.218 2.267 . 0 0 "[ . 1 . 2]" 1
308 1 75 LEU HB2 1 75 LEU MD2 3.400 . 4.100 2.467 2.395 2.588 . 0 0 "[ . 1 . 2]" 1
309 1 75 LEU HB2 1 76 ASN H 4.400 . 5.300 4.088 4.019 4.140 . 0 0 "[ . 1 . 2]" 1
310 1 75 LEU HB3 1 75 LEU MD1 3.200 . 3.800 3.166 3.153 3.178 . 0 0 "[ . 1 . 2]" 1
311 1 75 LEU HB3 1 75 LEU MD2 3.000 . 3.600 2.135 1.997 2.181 . 0 0 "[ . 1 . 2]" 1
312 1 75 LEU HB3 1 76 ASN H . . 3.700 2.892 2.790 2.983 . 0 0 "[ . 1 . 2]" 1
313 1 75 LEU QD 1 76 ASN H 3.100 . 3.700 3.814 3.709 3.867 0.167 19 0 "[ . 1 . 2]" 1
314 1 75 LEU QD 1 78 HIS H 3.600 . 4.300 4.279 4.166 4.417 0.117 7 0 "[ . 1 . 2]" 1
315 1 75 LEU QD 1 78 HIS HB2 3.900 . 4.700 3.794 3.570 4.151 . 0 0 "[ . 1 . 2]" 1
316 1 75 LEU QD 1 78 HIS HB3 3.700 . 4.400 2.593 2.424 2.929 . 0 0 "[ . 1 . 2]" 1
317 1 75 LEU QD 1 78 HIS HD2 3.000 . 3.600 2.506 2.190 2.948 . 0 0 "[ . 1 . 2]" 1
318 1 75 LEU QD 1 79 LYS HE2 3.400 . 4.100 3.165 2.023 3.710 . 0 0 "[ . 1 . 2]" 1
319 1 75 LEU QD 1 79 LYS HE3 3.300 . 4.000 3.222 2.377 3.765 . 0 0 "[ . 1 . 2]" 1
320 1 75 LEU MD1 1 78 HIS H 4.200 . 5.000 4.397 4.274 4.536 . 0 0 "[ . 1 . 2]" 1
321 1 75 LEU MD1 1 79 LYS QB 2.900 . 3.500 3.571 3.504 3.665 0.165 5 0 "[ . 1 . 2]" 1
322 1 75 LEU MD1 1 79 LYS HE2 3.600 . 4.300 3.316 2.075 4.039 . 0 0 "[ . 1 . 2]" 1
323 1 75 LEU MD1 1 79 LYS HE3 3.500 . 4.200 3.550 2.603 4.305 0.105 8 0 "[ . 1 . 2]" 1
324 1 75 LEU MD2 1 76 ASN H 3.600 . 4.300 4.105 4.014 4.198 . 0 0 "[ . 1 . 2]" 1
325 1 75 LEU MD2 1 76 ASN QB 3.800 . 4.600 4.705 4.623 4.873 0.273 5 0 "[ . 1 . 2]" 1
326 1 75 LEU MD2 1 79 LYS HE2 3.500 . 4.200 4.142 2.797 4.388 0.188 11 0 "[ . 1 . 2]" 1
327 1 75 LEU MD2 1 79 LYS HE3 3.600 . 4.300 3.831 2.442 4.362 0.062 2 0 "[ . 1 . 2]" 1
328 1 76 ASN H 1 76 ASN HA 2.900 . 3.500 2.842 2.810 2.863 . 0 0 "[ . 1 . 2]" 1
329 1 76 ASN H 1 76 ASN QB . . 3.200 2.081 2.021 2.152 . 0 0 "[ . 1 . 2]" 1
330 1 76 ASN H 1 77 LEU H 3.100 . 3.600 2.497 2.422 2.613 . 0 0 "[ . 1 . 2]" 1
331 1 76 ASN H 1 78 HIS H 4.000 . 4.800 3.630 3.513 3.744 . 0 0 "[ . 1 . 2]" 1
332 1 76 ASN HA 1 76 ASN HD21 4.100 . 4.800 3.179 2.856 4.362 . 0 0 "[ . 1 . 2]" 1
333 1 76 ASN HA 1 77 LEU H 3.900 . 4.200 3.517 3.491 3.533 . 0 0 "[ . 1 . 2]" 1
334 1 76 ASN HA 1 78 HIS H 3.800 . 4.600 4.163 4.060 4.324 . 0 0 "[ . 1 . 2]" 1
335 1 76 ASN HA 1 79 LYS H 3.600 . 4.300 3.321 3.238 3.482 . 0 0 "[ . 1 . 2]" 1
336 1 76 ASN HA 1 79 LYS QB 3.200 . 3.800 2.905 2.555 3.967 0.167 16 0 "[ . 1 . 2]" 1
337 1 76 ASN HA 1 80 LYS H 4.200 . 5.000 4.012 3.816 4.354 . 0 0 "[ . 1 . 2]" 1
338 1 76 ASN QB 1 77 LEU H 3.500 . 3.600 2.620 2.503 2.741 . 0 0 "[ . 1 . 2]" 1
339 1 76 ASN QB 1 77 LEU HG 3.800 . 4.600 4.757 4.691 4.783 0.183 14 0 "[ . 1 . 2]" 1
340 1 77 LEU H 1 77 LEU HB2 . . 3.200 2.086 2.059 2.111 . 0 0 "[ . 1 . 2]" 1
341 1 77 LEU H 1 77 LEU HB3 . . 3.200 3.391 3.370 3.413 0.213 7 0 "[ . 1 . 2]" 1
342 1 77 LEU H 1 77 LEU MD1 3.500 . 4.200 4.134 3.969 4.220 0.020 8 0 "[ . 1 . 2]" 1
343 1 77 LEU H 1 77 LEU QD 3.000 . 3.600 2.523 2.445 2.652 . 0 0 "[ . 1 . 2]" 1
344 1 77 LEU H 1 77 LEU MD2 3.400 . 4.100 2.546 2.464 2.680 . 0 0 "[ . 1 . 2]" 1
345 1 77 LEU H 1 78 HIS H 2.900 . 3.500 2.345 2.299 2.402 . 0 0 "[ . 1 . 2]" 1
346 1 77 LEU H 1 79 LYS H 4.100 . 4.900 3.905 3.796 4.002 . 0 0 "[ . 1 . 2]" 1
347 1 77 LEU H 1 80 LYS H 3.700 . 4.400 4.395 4.310 4.450 0.050 19 0 "[ . 1 . 2]" 1
348 1 77 LEU HA 1 77 LEU HB2 2.500 . 3.000 2.954 2.937 2.972 . 0 0 "[ . 1 . 2]" 1
349 1 77 LEU HA 1 77 LEU MD1 3.000 . 3.200 2.244 1.955 2.417 . 0 0 "[ . 1 . 2]" 1
350 1 77 LEU HA 1 77 LEU MD2 2.700 . 3.200 2.002 1.840 2.299 . 0 0 "[ . 1 . 2]" 1
351 1 77 LEU HA 1 77 LEU HG 3.300 . 3.800 3.651 3.622 3.675 . 0 0 "[ . 1 . 2]" 1
352 1 77 LEU HA 1 78 HIS H 3.200 . 3.800 3.438 3.404 3.488 . 0 0 "[ . 1 . 2]" 1
353 1 77 LEU HA 1 79 LYS H 3.900 . 4.000 4.107 4.054 4.186 0.186 5 0 "[ . 1 . 2]" 1
354 1 77 LEU HA 1 80 LYS H 2.800 . 3.400 2.967 2.740 3.111 . 0 0 "[ . 1 . 2]" 1
355 1 77 LEU HB2 1 77 LEU MD1 2.400 . 2.900 3.121 3.088 3.159 0.259 7 0 "[ . 1 . 2]" 1
356 1 77 LEU HB2 1 77 LEU MD2 2.300 . 2.800 2.561 2.442 2.657 . 0 0 "[ . 1 . 2]" 1
357 1 77 LEU HB2 1 78 HIS H . . 3.800 3.100 2.995 3.187 . 0 0 "[ . 1 . 2]" 1
358 1 77 LEU HB3 1 77 LEU MD1 2.700 . 2.900 2.186 2.146 2.264 . 0 0 "[ . 1 . 2]" 1
359 1 77 LEU HB3 1 77 LEU MD2 2.700 . 3.200 3.183 3.162 3.214 0.014 7 0 "[ . 1 . 2]" 1
360 1 77 LEU HB3 1 78 HIS H . . 3.600 3.555 3.414 3.648 0.048 7 0 "[ . 1 . 2]" 1
361 1 77 LEU MD1 1 77 LEU HG 2.400 . 2.900 2.121 2.117 2.124 . 0 0 "[ . 1 . 2]" 1
362 1 77 LEU MD1 1 78 HIS H 3.900 . 4.700 4.773 4.733 4.821 0.121 5 0 "[ . 1 . 2]" 1
363 1 77 LEU MD1 1 80 LYS H 4.300 . 5.200 4.584 4.051 4.838 . 0 0 "[ . 1 . 2]" 1
364 1 77 LEU MD1 1 80 LYS QD 2.300 . 2.800 1.934 1.758 2.703 0.042 9 0 "[ . 1 . 2]" 1
365 1 77 LEU MD1 1 80 LYS QE 3.500 . 3.800 3.675 3.399 3.850 0.050 18 0 "[ . 1 . 2]" 1
366 1 77 LEU MD2 1 78 HIS H 3.600 . 4.300 4.233 4.175 4.268 . 0 0 "[ . 1 . 2]" 1
367 1 77 LEU MD2 1 78 HIS HB3 3.200 . 3.800 3.366 3.016 3.676 . 0 0 "[ . 1 . 2]" 1
368 1 77 LEU MD2 1 80 LYS H 3.900 . 4.600 4.278 4.111 4.423 . 0 0 "[ . 1 . 2]" 1
369 1 77 LEU MD2 1 80 LYS QD 2.300 . 2.800 2.664 2.090 2.834 0.034 11 0 "[ . 1 . 2]" 1
370 1 77 LEU MD2 1 80 LYS QE 3.100 . 3.700 3.383 3.023 3.709 0.009 7 0 "[ . 1 . 2]" 1
371 1 78 HIS H 1 78 HIS HA 2.900 . 3.500 2.841 2.810 2.873 . 0 0 "[ . 1 . 2]" 1
372 1 78 HIS H 1 78 HIS HB2 2.800 . 3.400 2.750 2.684 2.875 . 0 0 "[ . 1 . 2]" 1
373 1 78 HIS H 1 78 HIS HB3 3.500 . 3.600 2.344 2.240 2.413 . 0 0 "[ . 1 . 2]" 1
374 1 78 HIS H 1 79 LYS H 3.100 . 3.700 2.531 2.415 2.640 . 0 0 "[ . 1 . 2]" 1
375 1 78 HIS H 1 80 LYS H 3.600 . 4.300 3.810 3.689 3.887 . 0 0 "[ . 1 . 2]" 1
376 1 78 HIS H 1 81 ARG H 3.800 . 4.200 4.360 4.286 4.420 0.220 5 0 "[ . 1 . 2]" 1
377 1 78 HIS HA 1 79 LYS H 3.300 . 4.000 3.519 3.495 3.550 . 0 0 "[ . 1 . 2]" 1
378 1 78 HIS HA 1 81 ARG H 2.800 . 3.400 3.217 3.029 3.403 0.003 8 0 "[ . 1 . 2]" 1
379 1 78 HIS HA 1 81 ARG HB2 3.300 . 4.000 2.834 2.563 3.370 . 0 0 "[ . 1 . 2]" 1
380 1 78 HIS HA 1 81 ARG HB3 3.300 . 4.000 3.041 2.514 4.059 0.059 7 0 "[ . 1 . 2]" 1
381 1 78 HIS HB2 1 78 HIS HD2 3.400 . 4.100 3.867 3.805 3.911 . 0 0 "[ . 1 . 2]" 1
382 1 78 HIS HB2 1 79 LYS H 4.100 . 4.900 3.952 3.882 4.076 . 0 0 "[ . 1 . 2]" 1
383 1 78 HIS HB3 1 78 HIS HD2 3.400 . 4.100 2.761 2.691 2.825 . 0 0 "[ . 1 . 2]" 1
384 1 78 HIS HB3 1 79 LYS H 4.100 . 4.900 2.627 2.531 2.767 . 0 0 "[ . 1 . 2]" 1
385 1 78 HIS HD2 1 79 LYS HA 3.400 . 4.100 3.317 2.861 3.695 . 0 0 "[ . 1 . 2]" 1
386 1 78 HIS HD2 1 79 LYS QB 3.400 . 4.100 3.521 2.972 4.121 0.021 9 0 "[ . 1 . 2]" 1
387 1 79 LYS H 1 79 LYS QB 2.600 . 3.100 2.289 2.174 2.745 . 0 0 "[ . 1 . 2]" 1
388 1 79 LYS H 1 79 LYS HE2 4.400 . 5.300 4.594 3.883 5.323 0.023 9 0 "[ . 1 . 2]" 1
389 1 79 LYS H 1 79 LYS HE3 4.400 . 5.300 4.457 3.648 5.419 0.119 8 0 "[ . 1 . 2]" 1
390 1 79 LYS H 1 80 LYS H 3.200 . 3.800 2.427 2.317 2.537 . 0 0 "[ . 1 . 2]" 1
391 1 79 LYS H 1 81 ARG H 4.000 . 4.300 3.769 3.587 3.977 . 0 0 "[ . 1 . 2]" 1
392 1 79 LYS HA 1 80 LYS H 3.900 . 4.100 3.495 3.428 3.531 . 0 0 "[ . 1 . 2]" 1
393 1 79 LYS HA 1 81 ARG H 4.200 . 4.300 4.092 3.834 4.303 0.003 9 0 "[ . 1 . 2]" 1
394 1 79 LYS HA 1 82 HIS H 3.500 . 4.200 3.396 3.147 3.558 . 0 0 "[ . 1 . 2]" 1
395 1 79 LYS HA 1 82 HIS HB2 4.100 . 4.400 3.172 3.071 3.272 . 0 0 "[ . 1 . 2]" 1
396 1 79 LYS HA 1 82 HIS HB3 4.000 . 4.800 4.805 4.670 4.874 0.074 15 0 "[ . 1 . 2]" 1
397 1 79 LYS HA 1 82 HIS HD2 2.800 . 3.400 2.395 1.788 3.251 0.012 7 0 "[ . 1 . 2]" 1
398 1 79 LYS QB 1 80 LYS H 3.500 . 4.200 2.733 2.435 3.620 . 0 0 "[ . 1 . 2]" 1
399 1 79 LYS QB 1 86 ALA HA 3.800 . 4.600 4.354 3.778 4.631 0.031 5 0 "[ . 1 . 2]" 1
400 1 79 LYS QB 1 86 ALA MB 3.700 . 4.400 3.486 2.023 4.021 . 0 0 "[ . 1 . 2]" 1
401 1 79 LYS QB 1 86 ALA MB 3.800 . 4.600 3.696 2.026 4.557 . 0 0 "[ . 1 . 2]" 1
402 1 79 LYS HE2 1 86 ALA HA 4.000 . 4.800 4.680 4.443 4.913 0.113 14 0 "[ . 1 . 2]" 1
403 1 79 LYS HE2 1 86 ALA MB 4.000 . 4.800 4.481 4.100 4.736 . 0 0 "[ . 1 . 2]" 1
404 1 80 LYS H 1 80 LYS HA 3.000 . 3.400 2.813 2.784 2.846 . 0 0 "[ . 1 . 2]" 1
405 1 80 LYS H 1 80 LYS QB 3.100 . 3.100 2.201 2.096 2.321 . 0 0 "[ . 1 . 2]" 1
406 1 80 LYS H 1 80 LYS QE 3.800 . 4.600 4.502 4.130 4.672 0.072 7 0 "[ . 1 . 2]" 1
407 1 80 LYS H 1 81 ARG H 2.900 . 3.400 2.628 2.503 2.750 . 0 0 "[ . 1 . 2]" 1
408 1 80 LYS HA 1 80 LYS QB 2.400 . 2.900 2.315 2.234 2.524 . 0 0 "[ . 1 . 2]" 1
409 1 80 LYS HA 1 80 LYS QE 3.300 . 4.000 3.681 3.567 4.016 0.016 18 0 "[ . 1 . 2]" 1
410 1 80 LYS HA 1 80 LYS QE 3.300 . 4.000 3.680 3.567 4.015 0.015 18 0 "[ . 1 . 2]" 1
411 1 80 LYS HA 1 80 LYS QG 2.700 . 3.200 2.535 2.110 2.744 . 0 0 "[ . 1 . 2]" 1
412 1 80 LYS HA 1 81 ARG H 3.100 . 3.700 3.527 3.457 3.569 . 0 0 "[ . 1 . 2]" 1
413 1 80 LYS HA 1 83 SER H 3.300 . 4.000 3.624 3.342 3.861 . 0 0 "[ . 1 . 2]" 1
414 1 80 LYS HA 1 86 ALA H 3.700 . 4.400 3.493 2.273 4.365 . 0 0 "[ . 1 . 2]" 1
415 1 80 LYS HA 1 86 ALA MB 3.800 . 4.600 2.273 1.772 4.064 0.028 3 0 "[ . 1 . 2]" 1
416 1 80 LYS QB 1 80 LYS QD 2.300 . 2.800 2.283 2.135 2.335 . 0 0 "[ . 1 . 2]" 1
417 1 80 LYS QB 1 80 LYS QE 2.900 . 3.500 2.153 1.831 3.608 0.108 7 0 "[ . 1 . 2]" 1
418 1 80 LYS QB 1 81 ARG H 3.100 . 3.700 2.741 2.576 2.973 . 0 0 "[ . 1 . 2]" 1
419 1 80 LYS QB 1 86 ALA MB 3.900 . 4.700 2.351 1.928 4.403 . 0 0 "[ . 1 . 2]" 1
420 1 80 LYS QD 1 80 LYS QG 2.200 . 2.600 2.021 2.007 2.091 . 0 0 "[ . 1 . 2]" 1
421 1 80 LYS QD 1 86 ALA MB 3.400 . 4.100 3.633 2.047 4.223 0.123 14 0 "[ . 1 . 2]" 1
422 1 80 LYS HD3 1 80 LYS QE 2.100 . 2.500 2.348 2.305 2.395 . 0 0 "[ . 1 . 2]" 1
423 1 80 LYS QE 1 80 LYS QG 2.500 . 2.900 2.208 1.980 2.286 . 0 0 "[ . 1 . 2]" 1
424 1 80 LYS QE 1 85 GLU HB2 4.000 . 4.800 2.715 1.791 4.005 0.009 18 0 "[ . 1 . 2]" 1
425 1 80 LYS QE 1 85 GLU HG2 4.000 . 4.800 4.775 4.407 4.910 0.110 15 0 "[ . 1 . 2]" 1
426 1 80 LYS QE 1 85 GLU HG3 4.000 . 4.800 4.223 3.282 4.874 0.074 2 0 "[ . 1 . 2]" 1
427 1 80 LYS QE 1 86 ALA MB 4.000 . 4.800 2.041 1.737 2.816 0.063 15 0 "[ . 1 . 2]" 1
428 1 80 LYS QE 1 87 ARG HA 3.900 . 4.700 4.796 4.586 4.956 0.256 3 0 "[ . 1 . 2]" 1
429 1 80 LYS QG 1 84 GLY QA 4.100 . 4.900 4.443 4.233 4.841 . 0 0 "[ . 1 . 2]" 1
430 1 80 LYS QG 1 85 GLU HG2 3.700 . 4.400 4.180 3.982 4.370 . 0 0 "[ . 1 . 2]" 1
431 1 80 LYS QG 1 85 GLU HG3 3.900 . 4.700 3.923 3.554 4.409 . 0 0 "[ . 1 . 2]" 1
432 1 80 LYS QG 1 86 ALA H 4.300 . 5.200 2.173 1.694 2.820 0.106 18 0 "[ . 1 . 2]" 1
433 1 80 LYS QG 1 86 ALA HA 3.400 . 4.100 2.332 1.848 2.624 . 0 0 "[ . 1 . 2]" 1
434 1 81 ARG H 1 81 ARG HA 2.800 . 3.400 2.805 2.763 2.863 . 0 0 "[ . 1 . 2]" 1
435 1 81 ARG H 1 81 ARG HB2 2.800 . 3.400 2.448 2.302 2.636 . 0 0 "[ . 1 . 2]" 1
436 1 81 ARG H 1 81 ARG HB3 2.700 . 3.200 2.798 2.473 3.582 0.382 15 0 "[ . 1 . 2]" 1
437 1 81 ARG H 1 81 ARG QD 3.600 . 4.300 4.041 3.086 4.389 0.089 1 0 "[ . 1 . 2]" 1
438 1 81 ARG H 1 82 HIS H 2.800 . 3.400 2.739 2.503 2.845 . 0 0 "[ . 1 . 2]" 1
439 1 81 ARG HA 1 81 ARG HD2 3.400 . 4.100 3.164 1.722 4.654 0.554 1 1 "[+ . 1 . 2]" 1
440 1 81 ARG HA 1 81 ARG QG 2.400 . 2.900 2.723 2.319 3.019 0.119 15 0 "[ . 1 . 2]" 1
441 1 81 ARG HA 1 82 HIS H 3.100 . 3.700 3.529 3.455 3.564 . 0 0 "[ . 1 . 2]" 1
442 1 81 ARG HB2 1 82 HIS H 3.300 . 4.000 3.652 2.460 4.046 0.046 8 0 "[ . 1 . 2]" 1
443 1 81 ARG HB3 1 82 HIS H 3.300 . 4.000 2.889 2.488 3.879 . 0 0 "[ . 1 . 2]" 1
444 1 81 ARG QG 1 82 HIS H 3.300 . 4.000 3.893 3.523 4.195 0.195 3 0 "[ . 1 . 2]" 1
445 1 82 HIS H 1 82 HIS HA 2.900 . 3.500 2.828 2.777 2.885 . 0 0 "[ . 1 . 2]" 1
446 1 82 HIS H 1 82 HIS HB2 2.900 . 3.500 2.336 2.273 2.431 . 0 0 "[ . 1 . 2]" 1
447 1 82 HIS H 1 82 HIS HB3 3.400 . 3.500 3.566 3.538 3.594 0.094 6 0 "[ . 1 . 2]" 1
448 1 82 HIS H 1 83 SER H 4.000 . 4.800 2.658 2.501 2.865 . 0 0 "[ . 1 . 2]" 1
449 1 82 HIS HB2 1 82 HIS HD2 2.900 . 3.500 2.681 2.624 2.793 . 0 0 "[ . 1 . 2]" 1
450 1 82 HIS HB2 1 82 HIS HE1 4.200 . 5.000 5.240 5.154 5.276 0.276 20 0 "[ . 1 . 2]" 1
451 1 82 HIS HB3 1 82 HIS HD2 3.100 . 3.700 3.799 3.694 3.867 0.167 18 0 "[ . 1 . 2]" 1
452 1 82 HIS HB3 1 82 HIS HE1 4.200 . 5.000 4.759 4.695 4.820 . 0 0 "[ . 1 . 2]" 1
453 1 83 SER HA 1 84 GLY H 4.000 . 4.800 3.097 2.896 3.375 . 0 0 "[ . 1 . 2]" 1
454 1 83 SER HA 1 85 GLU H 3.700 . 4.400 4.454 4.359 4.507 0.107 18 0 "[ . 1 . 2]" 1
455 1 84 GLY H 1 98 THR MG 4.600 . 5.500 5.010 4.310 5.267 . 0 0 "[ . 1 . 2]" 1
456 1 84 GLY QA 1 85 GLU H 2.700 . 3.200 2.512 2.441 2.618 . 0 0 "[ . 1 . 2]" 1
457 1 84 GLY QA 1 85 GLU QB 3.900 . 4.700 3.900 3.525 4.081 . 0 0 "[ . 1 . 2]" 1
458 1 84 GLY QA 1 85 GLU QG 4.000 . 4.800 4.193 3.703 5.023 0.223 1 0 "[ . 1 . 2]" 1
459 1 84 GLY QA 1 98 THR MG 3.800 . 4.600 3.916 3.272 4.412 . 0 0 "[ . 1 . 2]" 1
460 1 85 GLU H 1 85 GLU HB2 3.700 . 4.400 3.894 3.507 4.051 . 0 0 "[ . 1 . 2]" 1
461 1 85 GLU H 1 85 GLU HB3 3.800 . 4.600 3.227 2.423 3.437 . 0 0 "[ . 1 . 2]" 1
462 1 85 GLU H 1 85 GLU HG2 3.200 . 3.800 2.692 2.346 4.192 0.392 1 0 "[ . 1 . 2]" 1
463 1 85 GLU H 1 85 GLU HG3 3.200 . 3.800 3.885 3.692 3.974 0.174 13 0 "[ . 1 . 2]" 1
464 1 85 GLU H 1 86 ALA H 3.400 . 4.100 4.238 4.155 4.317 0.217 1 0 "[ . 1 . 2]" 1
465 1 85 GLU HA 1 85 GLU HG2 3.500 . 4.200 3.669 3.530 4.044 . 0 0 "[ . 1 . 2]" 1
466 1 85 GLU HA 1 85 GLU HG3 3.500 . 4.200 3.908 3.221 4.230 0.030 7 0 "[ . 1 . 2]" 1
467 1 85 GLU HA 1 86 ALA H 2.600 . 3.100 2.403 2.158 2.737 . 0 0 "[ . 1 . 2]" 1
468 1 85 GLU HA 1 98 THR MG 3.600 . 4.300 3.338 2.767 3.890 . 0 0 "[ . 1 . 2]" 1
469 1 85 GLU HB2 1 85 GLU HG2 2.500 . 3.000 2.835 2.597 2.993 . 0 0 "[ . 1 . 2]" 1
470 1 85 GLU HB2 1 85 GLU HG3 2.400 . 2.900 2.306 2.198 2.922 0.022 1 0 "[ . 1 . 2]" 1
471 1 85 GLU HB2 1 86 ALA H 3.400 . 4.100 2.573 1.878 3.457 . 0 0 "[ . 1 . 2]" 1
472 1 85 GLU HB2 1 87 ARG HG2 3.600 . 4.300 4.128 3.481 5.126 0.826 1 2 "[+ . 1 -. 2]" 1
473 1 85 GLU HB2 1 98 THR MG 4.100 . 4.900 4.334 3.782 5.032 0.132 14 0 "[ . 1 . 2]" 1
474 1 85 GLU HB3 1 85 GLU HG2 2.400 . 2.900 2.698 2.178 2.967 0.067 13 0 "[ . 1 . 2]" 1
475 1 85 GLU HB3 1 85 GLU HG3 2.400 . 2.900 2.825 2.594 2.983 0.083 14 0 "[ . 1 . 2]" 1
476 1 85 GLU HB3 1 86 ALA H 3.500 . 4.200 3.855 3.420 4.209 0.009 17 0 "[ . 1 . 2]" 1
477 1 85 GLU HB3 1 98 THR MG 4.100 . 4.900 4.275 3.182 4.816 . 0 0 "[ . 1 . 2]" 1
478 1 85 GLU QG 1 86 ALA HA 4.200 . 5.000 3.878 3.240 4.369 . 0 0 "[ . 1 . 2]" 1
479 1 85 GLU QG 1 86 ALA MB 3.900 . 4.700 4.508 3.931 4.771 0.071 13 0 "[ . 1 . 2]" 1
480 1 85 GLU HG2 1 86 ALA H 3.900 . 4.700 3.980 3.064 4.714 0.014 20 0 "[ . 1 . 2]" 1
481 1 85 GLU HG2 1 87 ARG HA 4.400 . 5.300 5.370 4.897 5.493 0.193 17 0 "[ . 1 . 2]" 1
482 1 85 GLU HG2 1 87 ARG HG3 3.900 . 4.700 3.761 2.966 4.086 . 0 0 "[ . 1 . 2]" 1
483 1 85 GLU HG2 1 98 THR MG 4.300 . 5.200 2.182 1.753 3.149 0.047 3 0 "[ . 1 . 2]" 1
484 1 85 GLU HG3 1 86 ALA H 3.700 . 4.400 3.601 2.285 4.406 0.006 13 0 "[ . 1 . 2]" 1
485 1 85 GLU HG3 1 87 ARG HA 4.200 . 5.000 4.298 3.776 5.058 0.058 7 0 "[ . 1 . 2]" 1
486 1 85 GLU HG3 1 87 ARG HG2 4.300 . 5.200 2.359 1.827 2.997 . 0 0 "[ . 1 . 2]" 1
487 1 85 GLU HG3 1 87 ARG HG3 3.900 . 4.700 3.238 1.763 3.906 0.037 14 0 "[ . 1 . 2]" 1
488 1 85 GLU HG3 1 98 THR MG 4.300 . 5.200 3.048 2.635 3.455 . 0 0 "[ . 1 . 2]" 1
489 1 86 ALA H 1 86 ALA HA 2.600 . 3.100 2.903 2.858 2.938 . 0 0 "[ . 1 . 2]" 1
490 1 86 ALA H 1 86 ALA MB 2.700 . 3.200 2.453 2.224 2.730 . 0 0 "[ . 1 . 2]" 1
491 1 86 ALA H 1 87 ARG H 3.500 . 4.200 3.959 3.723 4.146 . 0 0 "[ . 1 . 2]" 1
492 1 86 ALA HA 1 87 ARG H 2.900 . 3.000 2.163 2.108 2.288 . 0 0 "[ . 1 . 2]" 1
493 1 86 ALA HA 1 96 LEU MD1 4.200 . 5.000 3.333 2.694 3.713 . 0 0 "[ . 1 . 2]" 1
494 1 86 ALA HA 1 96 LEU MD2 4.700 . 5.600 3.797 3.476 4.081 . 0 0 "[ . 1 . 2]" 1
495 1 86 ALA HA 1 96 LEU MD1 4.500 . 5.400 3.467 2.713 3.967 . 0 0 "[ . 1 . 2]" 1
496 1 86 ALA HA 1 96 LEU MD2 4.300 . 5.200 4.746 3.995 5.149 . 0 0 "[ . 1 . 2]" 1
497 1 86 ALA MB 1 87 ARG H 3.200 . 3.400 3.468 3.350 3.609 0.209 18 0 "[ . 1 . 2]" 1
498 1 86 ALA MB 1 96 LEU MD1 2.600 . 3.100 2.301 2.039 2.602 . 0 0 "[ . 1 . 2]" 1
499 1 86 ALA MB 1 96 LEU MD2 2.600 . 3.100 2.287 2.249 2.326 . 0 0 "[ . 1 . 2]" 1
500 1 86 ALA MB 1 96 LEU HB3 2.700 . 3.200 2.545 1.869 3.103 . 0 0 "[ . 1 . 2]" 1
501 1 86 ALA MB 1 96 LEU MD1 3.500 . 4.200 2.368 2.063 2.754 . 0 0 "[ . 1 . 2]" 1
502 1 86 ALA MB 1 96 LEU MD2 3.300 . 4.000 3.301 3.087 3.510 . 0 0 "[ . 1 . 2]" 1
503 1 86 ALA MB 1 96 LEU HG 3.100 . 3.700 1.824 1.763 2.013 0.037 10 0 "[ . 1 . 2]" 1
504 1 87 ARG H 1 87 ARG QB . . 3.200 2.484 2.239 2.620 . 0 0 "[ . 1 . 2]" 1
505 1 87 ARG H 1 87 ARG QD 4.200 . 5.000 3.508 3.373 3.692 . 0 0 "[ . 1 . 2]" 1
506 1 87 ARG H 1 87 ARG HG2 . . 3.200 2.272 2.122 3.721 0.521 14 1 "[ . 1 +. 2]" 1
507 1 87 ARG H 1 87 ARG HG3 . . 3.400 3.509 2.400 3.666 0.266 8 0 "[ . 1 . 2]" 1
508 1 87 ARG H 1 88 TYR H 2.900 . 3.500 2.947 2.629 3.139 . 0 0 "[ . 1 . 2]" 1
509 1 87 ARG H 1 96 LEU HB3 2.700 . 3.200 3.214 2.763 3.329 0.129 12 0 "[ . 1 . 2]" 1
510 1 87 ARG H 1 96 LEU MD1 4.100 . 4.900 3.623 3.028 3.958 . 0 0 "[ . 1 . 2]" 1
511 1 87 ARG H 1 97 PHE H 4.200 . 5.000 4.198 3.830 4.559 . 0 0 "[ . 1 . 2]" 1
512 1 87 ARG H 1 98 THR HA 3.400 . 4.100 3.105 2.754 3.625 . 0 0 "[ . 1 . 2]" 1
513 1 87 ARG H 1 98 THR MG . . 3.200 3.043 2.667 3.268 0.068 11 0 "[ . 1 . 2]" 1
514 1 87 ARG HA 1 87 ARG QD 3.600 . 4.200 2.267 1.938 3.920 . 0 0 "[ . 1 . 2]" 1
515 1 87 ARG HA 1 87 ARG HG2 3.500 . 4.200 3.007 2.439 3.093 . 0 0 "[ . 1 . 2]" 1
516 1 87 ARG HA 1 87 ARG HG3 4.000 . 4.000 3.719 2.624 3.877 . 0 0 "[ . 1 . 2]" 1
517 1 87 ARG HA 1 88 TYR H 3.100 . 3.200 3.451 3.336 3.497 0.297 3 0 "[ . 1 . 2]" 1
518 1 87 ARG HA 1 96 LEU MD1 4.100 . 4.700 4.422 4.117 4.704 0.004 19 0 "[ . 1 . 2]" 1
519 1 87 ARG QB 1 87 ARG HG2 2.600 . 3.100 2.349 2.204 2.414 . 0 0 "[ . 1 . 2]" 1
520 1 87 ARG QB 1 87 ARG HG3 2.600 . 3.100 2.128 2.112 2.362 . 0 0 "[ . 1 . 2]" 1
521 1 87 ARG QB 1 88 TYR H 2.900 . 3.500 1.674 1.645 1.726 0.155 5 0 "[ . 1 . 2]" 1
522 1 87 ARG QB 1 98 THR MG 3.000 . 3.600 3.607 3.236 3.747 0.147 13 0 "[ . 1 . 2]" 1
523 1 87 ARG QD 1 98 THR MG 3.900 . 4.700 3.710 2.302 4.084 . 0 0 "[ . 1 . 2]" 1
524 1 87 ARG HG2 1 88 TYR H . . 3.800 3.874 3.747 4.126 0.326 14 0 "[ . 1 . 2]" 1
525 1 87 ARG HG3 1 88 TYR H . . 3.700 3.967 3.907 4.017 0.317 14 0 "[ . 1 . 2]" 1
526 1 88 TYR H 1 88 TYR HA 3.000 . 3.600 2.908 2.890 2.924 . 0 0 "[ . 1 . 2]" 1
527 1 88 TYR H 1 88 TYR HB2 . . 3.500 2.462 2.411 2.572 . 0 0 "[ . 1 . 2]" 1
528 1 88 TYR H 1 88 TYR HB3 3.100 . 3.700 3.604 3.589 3.633 . 0 0 "[ . 1 . 2]" 1
529 1 88 TYR H 1 88 TYR QD 2.800 . 3.400 1.919 1.835 2.014 . 0 0 "[ . 1 . 2]" 1
530 1 88 TYR H 1 88 TYR QE 3.300 . 4.000 4.145 4.035 4.244 0.244 15 0 "[ . 1 . 2]" 1
531 1 88 TYR H 1 96 LEU HA 3.800 . 4.600 4.505 4.253 4.661 0.061 13 0 "[ . 1 . 2]" 1
532 1 88 TYR H 1 96 LEU MD1 4.100 . 4.900 4.020 3.659 4.301 . 0 0 "[ . 1 . 2]" 1
533 1 88 TYR H 1 97 PHE H 3.400 . 4.000 3.285 3.088 3.493 . 0 0 "[ . 1 . 2]" 1
534 1 88 TYR H 1 103 LEU MD1 4.000 . 4.800 5.040 4.984 5.071 0.271 18 0 "[ . 1 . 2]" 1
535 1 88 TYR H 1 103 LEU MD2 3.700 . 4.400 4.386 4.311 4.471 0.071 11 0 "[ . 1 . 2]" 1
536 1 88 TYR HA 1 89 ARG H 2.500 . 3.000 2.293 2.236 2.338 . 0 0 "[ . 1 . 2]" 1
537 1 88 TYR HA 1 97 PHE H 3.800 . 4.600 4.573 4.463 4.653 0.053 18 0 "[ . 1 . 2]" 1
538 1 88 TYR HA 1 103 LEU MD1 4.100 . 4.900 4.702 4.552 4.802 . 0 0 "[ . 1 . 2]" 1
539 1 88 TYR HB2 1 88 TYR QD 2.600 . 3.100 2.528 2.449 2.576 . 0 0 "[ . 1 . 2]" 1
540 1 88 TYR HB2 1 88 TYR QE 3.900 . 4.700 4.431 4.409 4.449 . 0 0 "[ . 1 . 2]" 1
541 1 88 TYR HB2 1 89 ARG H 3.400 . 4.100 3.841 3.729 3.930 . 0 0 "[ . 1 . 2]" 1
542 1 88 TYR HB2 1 97 PHE H . . 3.600 3.023 2.922 3.141 . 0 0 "[ . 1 . 2]" 1
543 1 88 TYR HB2 1 103 LEU HA 3.400 . 4.100 3.149 3.012 3.313 . 0 0 "[ . 1 . 2]" 1
544 1 88 TYR HB2 1 103 LEU MD1 2.800 . 3.400 2.705 2.608 2.754 . 0 0 "[ . 1 . 2]" 1
545 1 88 TYR HB2 1 103 LEU MD2 3.000 . 3.600 2.164 2.090 2.241 . 0 0 "[ . 1 . 2]" 1
546 1 88 TYR HB2 1 100 SER HA 4.000 . 4.800 3.683 3.518 3.843 . 0 0 "[ . 1 . 2]" 1
547 1 88 TYR HB2 1 103 LEU HB2 4.000 . 4.400 2.991 2.901 3.095 . 0 0 "[ . 1 . 2]" 1
548 1 88 TYR HB2 1 103 LEU HB3 3.800 . 4.600 3.978 3.910 4.047 . 0 0 "[ . 1 . 2]" 1
549 1 88 TYR HB2 1 103 LEU MD2 3.100 . 3.700 2.188 2.109 2.273 . 0 0 "[ . 1 . 2]" 1
550 1 88 TYR HB3 1 88 TYR QD 2.700 . 3.200 2.289 2.265 2.341 . 0 0 "[ . 1 . 2]" 1
551 1 88 TYR HB3 1 88 TYR QE 3.800 . 4.600 4.370 4.354 4.395 . 0 0 "[ . 1 . 2]" 1
552 1 88 TYR HB3 1 89 ARG H 3.300 . 4.000 2.797 2.641 2.929 . 0 0 "[ . 1 . 2]" 1
553 1 88 TYR HB3 1 97 PHE H . . 4.100 4.218 4.185 4.252 0.152 2 0 "[ . 1 . 2]" 1
554 1 88 TYR HB3 1 100 SER HA 4.200 . 5.000 4.131 4.027 4.300 . 0 0 "[ . 1 . 2]" 1
555 1 88 TYR HB3 1 100 SER HB2 4.600 . 5.500 5.528 5.361 5.557 0.057 9 0 "[ . 1 . 2]" 1
556 1 88 TYR HB3 1 100 SER HB3 4.200 . 5.000 4.889 4.711 5.018 0.018 12 0 "[ . 1 . 2]" 1
557 1 88 TYR HB3 1 103 LEU HB2 4.300 . 5.200 3.789 3.684 3.912 . 0 0 "[ . 1 . 2]" 1
558 1 88 TYR HB3 1 103 LEU HB3 3.500 . 4.200 4.389 4.284 4.470 0.270 12 0 "[ . 1 . 2]" 1
559 1 88 TYR HB3 1 103 LEU MD1 2.800 . 3.400 2.959 2.890 3.006 . 0 0 "[ . 1 . 2]" 1
560 1 88 TYR HB3 1 103 LEU MD2 3.000 . 3.600 1.750 1.727 1.767 0.073 11 0 "[ . 1 . 2]" 1
561 1 88 TYR QD 1 100 SER HA 3.200 . 3.800 3.658 3.565 3.739 . 0 0 "[ . 1 . 2]" 1
562 1 88 TYR QD 1 100 SER HB2 . . 4.200 4.218 4.070 4.281 0.081 4 0 "[ . 1 . 2]" 1
563 1 88 TYR QD 1 100 SER HB3 4.400 . 4.600 3.476 3.293 3.601 . 0 0 "[ . 1 . 2]" 1
564 1 88 TYR QD 1 103 LEU MD1 3.500 . 4.200 4.307 4.278 4.344 0.144 7 0 "[ . 1 . 2]" 1
565 1 88 TYR QD 1 103 LEU MD2 . . 3.100 2.509 2.416 2.659 . 0 0 "[ . 1 . 2]" 1
566 1 88 TYR QE 1 103 LEU MD1 2.900 . 3.500 2.851 2.708 2.996 . 0 0 "[ . 1 . 2]" 1
567 1 88 TYR QE 1 103 LEU MD2 3.600 . 4.300 3.790 3.737 3.860 . 0 0 "[ . 1 . 2]" 1
568 1 88 TYR QE 1 100 SER HA 3.400 . 4.100 4.111 3.856 4.203 0.103 19 0 "[ . 1 . 2]" 1
569 1 88 TYR QE 1 100 SER HB2 4.100 . 4.100 3.656 3.582 3.811 . 0 0 "[ . 1 . 2]" 1
570 1 88 TYR QE 1 100 SER HB3 3.900 . 4.000 2.712 2.467 2.879 . 0 0 "[ . 1 . 2]" 1
571 1 88 TYR QE 1 103 LEU MD2 3.200 . 3.800 3.883 3.821 3.952 0.152 2 0 "[ . 1 . 2]" 1
572 1 89 ARG H 1 89 ARG QB 2.900 . 3.500 2.729 2.311 2.954 . 0 0 "[ . 1 . 2]" 1
573 1 89 ARG H 1 89 ARG QD 3.600 . 4.300 4.167 4.129 4.248 . 0 0 "[ . 1 . 2]" 1
574 1 89 ARG H 1 89 ARG QG . . 3.600 2.782 2.364 3.567 . 0 0 "[ . 1 . 2]" 1
575 1 89 ARG H 1 90 CYS H 3.800 . 4.600 4.368 4.322 4.423 . 0 0 "[ . 1 . 2]" 1
576 1 89 ARG H 1 96 LEU MD1 3.400 . 4.100 3.523 3.245 3.663 . 0 0 "[ . 1 . 2]" 1
577 1 89 ARG H 1 97 PHE H 4.100 . 4.900 4.631 4.535 4.757 . 0 0 "[ . 1 . 2]" 1
578 1 89 ARG H 1 103 LEU MD1 3.100 . 3.700 3.857 3.734 3.955 0.255 11 0 "[ . 1 . 2]" 1
579 1 89 ARG H 1 103 LEU MD2 3.200 . 3.800 3.807 3.695 3.855 0.055 18 0 "[ . 1 . 2]" 1
580 1 89 ARG HA 1 90 CYS H 2.600 . 3.100 2.190 2.155 2.236 . 0 0 "[ . 1 . 2]" 1
581 1 89 ARG HA 1 96 LEU HB2 4.100 . 4.900 5.066 4.988 5.175 0.275 17 0 "[ . 1 . 2]" 1
582 1 89 ARG HA 1 96 LEU MD1 3.900 . 4.600 2.331 2.207 2.413 . 0 0 "[ . 1 . 2]" 1
583 1 89 ARG HA 1 96 LEU MD2 4.700 . 5.600 3.489 3.231 3.715 . 0 0 "[ . 1 . 2]" 1
584 1 89 ARG HA 1 97 PHE H . . 3.800 3.177 2.958 3.487 . 0 0 "[ . 1 . 2]" 1
585 1 89 ARG QB 1 90 CYS H 3.600 . 3.800 2.681 2.618 2.737 . 0 0 "[ . 1 . 2]" 1
586 1 89 ARG QB 1 94 GLY H 3.500 . 4.200 3.941 3.495 4.141 . 0 0 "[ . 1 . 2]" 1
587 1 89 ARG QB 1 94 GLY HA2 3.900 . 4.700 2.217 2.018 2.344 . 0 0 "[ . 1 . 2]" 1
588 1 89 ARG QB 1 94 GLY HA3 4.200 . 5.000 3.596 3.442 3.783 . 0 0 "[ . 1 . 2]" 1
589 1 89 ARG QB 1 95 LYS H 3.700 . 4.400 3.772 3.457 4.245 . 0 0 "[ . 1 . 2]" 1
590 1 89 ARG QB 1 96 LEU MD1 3.300 . 3.700 2.237 1.701 3.267 0.099 10 0 "[ . 1 . 2]" 1
591 1 89 ARG QD 1 94 GLY H 3.700 . 4.400 4.494 4.448 4.563 0.163 10 0 "[ . 1 . 2]" 1
592 1 89 ARG QD 1 94 GLY HA2 3.500 . 4.200 2.554 2.342 2.731 . 0 0 "[ . 1 . 2]" 1
593 1 89 ARG QD 1 94 GLY HA3 3.800 . 4.600 3.137 2.897 3.319 . 0 0 "[ . 1 . 2]" 1
594 1 89 ARG QD 1 96 LEU MD1 3.300 . 3.700 3.151 2.975 3.390 . 0 0 "[ . 1 . 2]" 1
595 1 89 ARG QD 1 96 LEU MD2 3.900 . 4.400 3.643 3.164 3.905 . 0 0 "[ . 1 . 2]" 1
596 1 89 ARG QG 1 90 CYS H . . 3.700 3.388 3.015 3.585 . 0 0 "[ . 1 . 2]" 1
597 1 89 ARG QG 1 94 GLY H 3.500 . 4.200 4.182 3.895 4.514 0.314 3 0 "[ . 1 . 2]" 1
598 1 89 ARG QG 1 94 GLY HA2 3.500 . 4.200 2.645 2.243 2.891 . 0 0 "[ . 1 . 2]" 1
599 1 89 ARG QG 1 94 GLY HA3 3.500 . 4.200 3.903 3.040 4.342 0.142 10 0 "[ . 1 . 2]" 1
600 1 89 ARG QG 1 96 LEU MD1 3.100 . 3.700 2.845 1.546 3.547 0.254 11 0 "[ . 1 . 2]" 1
601 1 90 CYS H 1 90 CYS HB2 . . 3.600 2.267 2.044 2.504 . 0 0 "[ . 1 . 2]" 1
602 1 90 CYS H 1 90 CYS HB3 . . 3.500 2.687 2.372 2.894 . 0 0 "[ . 1 . 2]" 1
603 1 90 CYS H 1 91 GLU H 4.000 . 4.800 4.451 4.322 4.586 . 0 0 "[ . 1 . 2]" 1
604 1 90 CYS H 1 92 ASP H 4.100 . 4.900 4.817 4.722 4.919 0.019 2 0 "[ . 1 . 2]" 1
605 1 90 CYS H 1 93 CYS H 4.000 . 4.800 4.624 4.419 4.809 0.009 14 0 "[ . 1 . 2]" 1
606 1 90 CYS H 1 94 GLY H 3.900 . 4.700 3.684 3.384 3.957 . 0 0 "[ . 1 . 2]" 1
607 1 90 CYS H 1 95 LYS H 3.600 . 4.200 2.513 2.289 2.710 . 0 0 "[ . 1 . 2]" 1
608 1 90 CYS H 1 96 LEU H 4.400 . 5.300 4.798 4.648 4.949 . 0 0 "[ . 1 . 2]" 1
609 1 90 CYS H 1 96 LEU MD1 3.400 . 4.100 4.077 4.017 4.140 0.040 3 0 "[ . 1 . 2]" 1
610 1 90 CYS H 1 97 PHE H 4.000 . 4.800 4.615 4.462 4.819 0.019 20 0 "[ . 1 . 2]" 1
611 1 90 CYS H 1 103 LEU MD1 3.900 . 4.100 3.057 2.911 3.193 . 0 0 "[ . 1 . 2]" 1
612 1 90 CYS HA 1 91 GLU H . . 3.100 2.204 2.135 2.263 . 0 0 "[ . 1 . 2]" 1
613 1 90 CYS HA 1 103 LEU MD1 4.000 . 4.800 1.999 1.807 2.280 . 0 0 "[ . 1 . 2]" 1
614 1 90 CYS HA 1 107 GLN HE21 3.700 . 4.400 2.557 2.021 4.474 0.074 8 0 "[ . 1 . 2]" 1
615 1 90 CYS HA 1 107 GLN HE22 4.000 . 4.800 2.566 1.793 4.109 0.007 18 0 "[ . 1 . 2]" 1
616 1 90 CYS HB2 1 92 ASP H 3.400 . 4.100 4.260 4.191 4.330 0.230 18 0 "[ . 1 . 2]" 1
617 1 90 CYS HB2 1 93 CYS H 3.000 . 3.600 3.831 3.732 3.897 0.297 1 0 "[ . 1 . 2]" 1
618 1 90 CYS HB2 1 94 GLY H 3.200 . 3.800 3.766 3.346 3.902 0.102 15 0 "[ . 1 . 2]" 1
619 1 90 CYS HB2 1 95 LYS H 3.400 . 3.600 2.545 2.397 2.951 . 0 0 "[ . 1 . 2]" 1
620 1 90 CYS HB2 1 97 PHE QE 2.900 . 3.500 2.441 2.217 2.618 . 0 0 "[ . 1 . 2]" 1
621 1 90 CYS HB2 1 103 LEU MD1 3.100 . 3.700 3.046 2.934 3.148 . 0 0 "[ . 1 . 2]" 1
622 1 90 CYS HB2 1 106 HIS HD2 2.700 . 3.200 2.599 2.114 2.988 . 0 0 "[ . 1 . 2]" 1
623 1 90 CYS HB3 1 92 ASP H 3.500 . 4.200 2.998 2.755 3.449 . 0 0 "[ . 1 . 2]" 1
624 1 90 CYS HB3 1 93 CYS H 2.900 . 3.500 2.201 1.997 2.583 . 0 0 "[ . 1 . 2]" 1
625 1 90 CYS HB3 1 94 GLY H 3.100 . 3.700 2.168 1.793 2.441 0.007 14 0 "[ . 1 . 2]" 1
626 1 90 CYS HB3 1 95 LYS H 3.300 . 3.500 2.118 1.752 2.440 0.048 8 0 "[ . 1 . 2]" 1
627 1 90 CYS HB3 1 95 LYS HB2 4.000 . 4.800 3.306 2.582 3.606 . 0 0 "[ . 1 . 2]" 1
628 1 90 CYS HB3 1 95 LYS HB3 4.200 . 5.000 4.959 4.221 5.145 0.145 3 0 "[ . 1 . 2]" 1
629 1 90 CYS HB3 1 97 PHE QE 3.300 . 4.000 4.021 3.732 4.120 0.120 12 0 "[ . 1 . 2]" 1
630 1 90 CYS HB3 1 103 LEU MD1 3.300 . 4.000 4.113 4.073 4.142 0.142 1 0 "[ . 1 . 2]" 1
631 1 90 CYS HB3 1 106 HIS HD2 3.300 . 3.800 3.735 3.549 3.848 0.048 16 0 "[ . 1 . 2]" 1
632 1 91 GLU H 1 91 GLU HB2 3.300 . 4.000 3.588 3.568 3.617 . 0 0 "[ . 1 . 2]" 1
633 1 91 GLU H 1 91 GLU HB3 . . 3.600 2.633 2.463 2.825 . 0 0 "[ . 1 . 2]" 1
634 1 91 GLU H 1 91 GLU HG2 . . 3.800 1.958 1.769 2.320 0.031 14 0 "[ . 1 . 2]" 1
635 1 91 GLU H 1 91 GLU HG3 . . 3.800 3.094 2.845 3.472 . 0 0 "[ . 1 . 2]" 1
636 1 91 GLU H 1 92 ASP H 2.800 . 3.400 2.799 2.659 2.940 . 0 0 "[ . 1 . 2]" 1
637 1 91 GLU H 1 93 CYS H 4.000 . 4.600 4.529 4.393 4.659 0.059 6 0 "[ . 1 . 2]" 1
638 1 91 GLU H 1 94 GLY H 4.300 . 5.200 4.789 4.707 4.843 . 0 0 "[ . 1 . 2]" 1
639 1 91 GLU H 1 103 LEU MD1 3.500 . 4.200 3.526 3.233 3.873 . 0 0 "[ . 1 . 2]" 1
640 1 91 GLU H 1 107 GLN HE21 4.000 . 4.800 3.171 2.163 4.072 . 0 0 "[ . 1 . 2]" 1
641 1 91 GLU H 1 107 GLN HE22 4.400 . 5.300 2.223 1.746 3.617 0.054 1 0 "[ . 1 . 2]" 1
642 1 91 GLU HA 1 91 GLU HB2 2.500 . 3.000 2.472 2.394 2.523 . 0 0 "[ . 1 . 2]" 1
643 1 91 GLU HA 1 91 GLU HB3 2.600 . 3.100 2.400 2.350 2.479 . 0 0 "[ . 1 . 2]" 1
644 1 91 GLU HA 1 91 GLU HG2 3.300 . 3.400 3.666 3.585 3.803 0.403 15 0 "[ . 1 . 2]" 1
645 1 91 GLU HA 1 91 GLU HG3 3.100 . 3.700 3.703 3.578 3.800 0.100 14 0 "[ . 1 . 2]" 1
646 1 91 GLU HA 1 92 ASP H 3.200 . 3.600 3.190 3.047 3.324 . 0 0 "[ . 1 . 2]" 1
647 1 91 GLU HB2 1 91 GLU HG2 2.400 . 2.900 2.979 2.964 3.001 0.101 2 0 "[ . 1 . 2]" 1
648 1 91 GLU HB2 1 91 GLU HG3 2.300 . 2.800 2.424 2.333 2.522 . 0 0 "[ . 1 . 2]" 1
649 1 91 GLU HB2 1 92 ASP H 3.700 . 4.400 4.318 4.198 4.385 . 0 0 "[ . 1 . 2]" 1
650 1 91 GLU HB3 1 91 GLU HG2 2.500 . 3.000 2.405 2.319 2.500 . 0 0 "[ . 1 . 2]" 1
651 1 91 GLU HB3 1 91 GLU HG3 2.500 . 3.000 2.984 2.962 2.998 . 0 0 "[ . 1 . 2]" 1
652 1 91 GLU HG2 1 92 ASP H 3.200 . 3.800 3.690 3.293 3.953 0.153 1 0 "[ . 1 . 2]" 1
653 1 91 GLU HG3 1 92 ASP H 3.300 . 4.000 3.488 3.084 3.916 . 0 0 "[ . 1 . 2]" 1
654 1 92 ASP H 1 92 ASP HA . . 3.100 2.936 2.922 2.943 . 0 0 "[ . 1 . 2]" 1
655 1 92 ASP H 1 93 CYS H 2.500 . 3.000 2.062 1.991 2.192 . 0 0 "[ . 1 . 2]" 1
656 1 92 ASP H 1 93 CYS HA 3.800 . 4.600 4.676 4.638 4.721 0.121 10 0 "[ . 1 . 2]" 1
657 1 92 ASP HA 1 93 CYS H 3.200 . 3.800 3.581 3.556 3.614 . 0 0 "[ . 1 . 2]" 1
658 1 93 CYS H 1 93 CYS HB2 3.500 . 3.600 3.831 3.769 3.856 0.256 10 0 "[ . 1 . 2]" 1
659 1 93 CYS H 1 93 CYS HB3 3.600 . 3.700 2.963 2.889 3.047 . 0 0 "[ . 1 . 2]" 1
660 1 93 CYS H 1 94 GLY H 2.400 . 2.900 1.810 1.768 1.849 0.032 6 0 "[ . 1 . 2]" 1
661 1 93 CYS H 1 94 GLY HA2 3.200 . 3.800 4.003 3.966 4.036 0.236 8 0 "[ . 1 . 2]" 1
662 1 93 CYS HA 1 94 GLY H 3.900 . 4.100 3.285 3.202 3.447 . 0 0 "[ . 1 . 2]" 1
663 1 93 CYS HB2 1 110 HIS HE1 2.900 . 3.500 3.542 3.313 3.712 0.212 6 0 "[ . 1 . 2]" 1
664 1 93 CYS HB3 1 110 HIS HE1 3.000 . 3.600 2.274 1.773 2.663 0.027 14 0 "[ . 1 . 2]" 1
665 1 94 GLY H 1 94 GLY HA2 2.700 . 3.200 2.246 2.215 2.310 . 0 0 "[ . 1 . 2]" 1
666 1 94 GLY H 1 94 GLY HA3 3.100 . 3.100 2.817 2.768 2.906 . 0 0 "[ . 1 . 2]" 1
667 1 94 GLY H 1 95 LYS H 2.900 . 2.900 2.636 2.283 2.810 . 0 0 "[ . 1 . 2]" 1
668 1 94 GLY H 1 95 LYS QD 4.000 . 4.800 5.075 4.699 5.470 0.670 12 9 "[ - * *1*+* * **]" 1
669 1 94 GLY HA2 1 95 LYS H 3.300 . 3.800 2.886 2.810 2.971 . 0 0 "[ . 1 . 2]" 1
670 1 94 GLY HA3 1 95 LYS H 3.400 . 4.000 3.514 3.458 3.547 . 0 0 "[ . 1 . 2]" 1
671 1 94 GLY HA3 1 96 LEU MD1 4.600 . 5.500 5.188 4.986 5.477 . 0 0 "[ . 1 . 2]" 1
672 1 95 LYS H 1 95 LYS HA 2.800 . 3.400 2.875 2.838 2.900 . 0 0 "[ . 1 . 2]" 1
673 1 95 LYS H 1 95 LYS HB2 . . 3.100 2.343 2.013 2.578 . 0 0 "[ . 1 . 2]" 1
674 1 95 LYS H 1 95 LYS HB3 3.300 . 4.000 3.551 3.327 3.618 . 0 0 "[ . 1 . 2]" 1
675 1 95 LYS H 1 95 LYS QD 3.600 . 4.300 4.090 3.997 4.221 . 0 0 "[ . 1 . 2]" 1
676 1 95 LYS H 1 95 LYS HG2 . . 3.200 3.394 2.996 3.727 0.527 9 3 "[ . +1 - . *2]" 1
677 1 95 LYS H 1 95 LYS HG3 3.600 . 3.600 2.679 2.314 3.709 0.109 7 0 "[ . 1 . 2]" 1
678 1 95 LYS H 1 96 LEU MD1 4.200 . 5.000 5.138 5.095 5.200 0.200 15 0 "[ . 1 . 2]" 1
679 1 95 LYS H 1 96 LEU MD2 4.100 . 4.900 4.213 3.979 4.403 . 0 0 "[ . 1 . 2]" 1
680 1 95 LYS H 1 103 LEU MD1 4.200 . 5.000 4.744 4.645 4.850 . 0 0 "[ . 1 . 2]" 1
681 1 95 LYS HA 1 95 LYS QE 3.400 . 4.100 4.055 2.860 4.408 0.308 9 0 "[ . 1 . 2]" 1
682 1 95 LYS HA 1 95 LYS HG2 3.200 . 3.800 2.357 2.162 2.566 . 0 0 "[ . 1 . 2]" 1
683 1 95 LYS HA 1 95 LYS HG3 3.400 . 3.600 3.217 2.851 3.607 0.007 8 0 "[ . 1 . 2]" 1
684 1 95 LYS HA 1 96 LEU H 2.400 . 2.900 2.206 2.170 2.293 . 0 0 "[ . 1 . 2]" 1
685 1 95 LYS HA 1 96 LEU MD1 4.200 . 4.800 4.604 4.445 4.838 0.038 6 0 "[ . 1 . 2]" 1
686 1 95 LYS HA 1 96 LEU MD2 4.000 . 4.200 2.816 2.671 2.976 . 0 0 "[ . 1 . 2]" 1
687 1 95 LYS HB2 1 95 LYS QD 2.600 . 3.000 2.591 2.333 3.150 0.150 7 0 "[ . 1 . 2]" 1
688 1 95 LYS HB2 1 95 LYS QE 3.600 . 4.300 3.992 3.280 4.512 0.212 8 0 "[ . 1 . 2]" 1
689 1 95 LYS HB2 1 95 LYS HG2 2.600 . 2.800 2.930 2.568 2.983 0.183 15 0 "[ . 1 . 2]" 1
690 1 95 LYS HB2 1 95 LYS HG3 2.900 . 3.500 2.319 2.268 2.385 . 0 0 "[ . 1 . 2]" 1
691 1 95 LYS HB2 1 96 LEU H 3.500 . 4.200 4.130 3.765 4.418 0.218 8 0 "[ . 1 . 2]" 1
692 1 95 LYS HB2 1 97 PHE QE 3.300 . 4.000 1.960 1.722 2.360 0.078 2 0 "[ . 1 . 2]" 1
693 1 95 LYS HB2 1 97 PHE HZ 3.600 . 4.300 3.283 3.055 3.723 . 0 0 "[ . 1 . 2]" 1
694 1 95 LYS HB3 1 95 LYS QD 2.700 . 3.200 2.232 2.081 2.507 . 0 0 "[ . 1 . 2]" 1
695 1 95 LYS HB3 1 95 LYS QE 3.900 . 4.700 3.413 1.985 4.051 . 0 0 "[ . 1 . 2]" 1
696 1 95 LYS HB3 1 95 LYS HG2 2.800 . 3.400 2.565 2.456 2.953 . 0 0 "[ . 1 . 2]" 1
697 1 95 LYS HB3 1 95 LYS HG3 2.900 . 3.500 2.943 2.564 3.003 . 0 0 "[ . 1 . 2]" 1
698 1 95 LYS HB3 1 96 LEU H 3.700 . 4.400 3.126 2.814 3.445 . 0 0 "[ . 1 . 2]" 1
699 1 95 LYS HB3 1 97 PHE QE 3.300 . 4.000 2.685 1.794 3.272 0.006 8 0 "[ . 1 . 2]" 1
700 1 95 LYS QD 1 97 PHE QE 3.300 . 3.800 3.288 2.639 3.667 . 0 0 "[ . 1 . 2]" 1
701 1 95 LYS QD 1 97 PHE HZ 3.900 . 4.000 2.658 2.028 3.185 . 0 0 "[ . 1 . 2]" 1
702 1 95 LYS QE 1 95 LYS HG2 3.100 . 3.700 2.334 2.191 2.795 . 0 0 "[ . 1 . 2]" 1
703 1 95 LYS QE 1 95 LYS HG3 2.800 . 3.400 2.859 2.329 3.507 0.107 2 0 "[ . 1 . 2]" 1
704 1 95 LYS HG3 1 97 PHE QE 3.500 . 4.200 4.005 3.558 4.383 0.183 9 0 "[ . 1 . 2]" 1
705 1 95 LYS HG3 1 97 PHE HZ 3.900 . 4.700 4.555 3.596 4.816 0.116 9 0 "[ . 1 . 2]" 1
706 1 96 LEU H 1 96 LEU HB2 2.700 . 3.200 2.377 2.307 2.443 . 0 0 "[ . 1 . 2]" 1
707 1 96 LEU H 1 96 LEU HB3 3.300 . 4.000 3.620 3.576 3.655 . 0 0 "[ . 1 . 2]" 1
708 1 96 LEU H 1 96 LEU MD1 3.500 . 4.000 3.690 3.532 3.853 . 0 0 "[ . 1 . 2]" 1
709 1 96 LEU H 1 96 LEU MD2 3.200 . 3.800 2.235 2.022 2.462 . 0 0 "[ . 1 . 2]" 1
710 1 96 LEU H 1 97 PHE H 3.900 . 4.700 4.360 4.178 4.447 . 0 0 "[ . 1 . 2]" 1
711 1 96 LEU HA 1 96 LEU MD1 4.600 . 4.600 1.912 1.833 1.967 . 0 0 "[ . 1 . 2]" 1
712 1 96 LEU HA 1 97 PHE H . . 3.200 2.090 2.073 2.111 . 0 0 "[ . 1 . 2]" 1
713 1 96 LEU HB2 1 96 LEU MD1 3.300 . 4.000 3.190 3.173 3.200 . 0 0 "[ . 1 . 2]" 1
714 1 96 LEU HB2 1 96 LEU MD2 3.200 . 3.800 2.333 2.302 2.377 . 0 0 "[ . 1 . 2]" 1
715 1 96 LEU HB2 1 97 PHE H 4.000 . 4.800 4.329 4.219 4.476 . 0 0 "[ . 1 . 2]" 1
716 1 96 LEU HB3 1 96 LEU MD2 3.100 . 3.700 3.197 3.189 3.214 . 0 0 "[ . 1 . 2]" 1
717 1 96 LEU HB3 1 97 PHE H . . 3.800 3.446 3.274 3.744 . 0 0 "[ . 1 . 2]" 1
718 1 96 LEU MD1 1 96 LEU MD2 2.200 . 2.600 2.063 2.050 2.070 . 0 0 "[ . 1 . 2]" 1
719 1 96 LEU MD1 1 97 PHE H 3.300 . 4.000 3.386 3.256 3.516 . 0 0 "[ . 1 . 2]" 1
720 1 96 LEU MD2 1 97 PHE H 4.200 . 4.400 4.585 4.461 4.652 0.252 13 0 "[ . 1 . 2]" 1
721 1 97 PHE H 1 97 PHE HA 2.800 . 3.400 2.951 2.943 2.956 . 0 0 "[ . 1 . 2]" 1
722 1 97 PHE H 1 97 PHE HB2 3.000 . 3.600 2.671 2.572 2.745 . 0 0 "[ . 1 . 2]" 1
723 1 97 PHE H 1 97 PHE HB3 3.400 . 4.100 3.788 3.721 3.837 . 0 0 "[ . 1 . 2]" 1
724 1 97 PHE H 1 97 PHE QD 3.200 . 3.800 2.629 2.443 2.739 . 0 0 "[ . 1 . 2]" 1
725 1 97 PHE H 1 103 LEU MD1 3.700 . 4.400 3.539 3.408 3.696 . 0 0 "[ . 1 . 2]" 1
726 1 97 PHE H 1 103 LEU MD2 3.700 . 4.400 4.380 4.327 4.448 0.048 17 0 "[ . 1 . 2]" 1
727 1 97 PHE HB2 1 97 PHE QD 2.900 . 3.500 2.453 2.405 2.496 . 0 0 "[ . 1 . 2]" 1
728 1 97 PHE HB2 1 98 THR MG 4.300 . 5.200 5.333 5.279 5.369 0.169 18 0 "[ . 1 . 2]" 1
729 1 97 PHE HB2 1 99 THR H 2.800 . 3.400 3.373 3.119 3.483 0.083 13 0 "[ . 1 . 2]" 1
730 1 97 PHE HB2 1 99 THR MG 4.300 . 5.200 5.416 5.351 5.451 0.251 2 0 "[ . 1 . 2]" 1
731 1 97 PHE HB2 1 103 LEU H 2.900 . 3.500 3.534 3.397 3.653 0.153 14 0 "[ . 1 . 2]" 1
732 1 97 PHE HB2 1 103 LEU HB2 3.800 . 4.600 1.813 1.746 1.964 0.054 13 0 "[ . 1 . 2]" 1
733 1 97 PHE HB2 1 103 LEU HB3 3.800 . 4.600 3.419 3.362 3.605 . 0 0 "[ . 1 . 2]" 1
734 1 97 PHE HB2 1 103 LEU MD1 4.200 . 5.000 2.991 2.912 3.069 . 0 0 "[ . 1 . 2]" 1
735 1 97 PHE HB2 1 103 LEU MD2 4.100 . 4.900 3.424 3.390 3.475 . 0 0 "[ . 1 . 2]" 1
736 1 97 PHE HB3 1 97 PHE QD 3.100 . 3.700 2.348 2.311 2.391 . 0 0 "[ . 1 . 2]" 1
737 1 97 PHE HB3 1 98 THR MG 3.800 . 4.600 4.729 4.661 4.816 0.216 12 0 "[ . 1 . 2]" 1
738 1 97 PHE HB3 1 99 THR H 2.900 . 3.500 2.464 2.371 2.591 . 0 0 "[ . 1 . 2]" 1
739 1 97 PHE HB3 1 99 THR MG 3.800 . 4.600 4.731 4.669 4.805 0.205 9 0 "[ . 1 . 2]" 1
740 1 97 PHE HB3 1 102 ASN HB2 4.100 . 4.900 2.680 2.403 3.032 . 0 0 "[ . 1 . 2]" 1
741 1 97 PHE HB3 1 102 ASN HB3 3.600 . 4.300 3.434 3.139 3.672 . 0 0 "[ . 1 . 2]" 1
742 1 97 PHE HB3 1 103 LEU H . . 3.700 3.327 3.166 3.578 . 0 0 "[ . 1 . 2]" 1
743 1 97 PHE HB3 1 103 LEU HA 3.500 . 4.200 3.589 3.436 3.787 . 0 0 "[ . 1 . 2]" 1
744 1 97 PHE HB3 1 103 LEU MD1 3.800 . 4.100 4.250 4.162 4.314 0.214 4 0 "[ . 1 . 2]" 1
745 1 97 PHE HB3 1 103 LEU MD2 3.900 . 4.700 4.756 4.724 4.796 0.096 16 0 "[ . 1 . 2]" 1
746 1 97 PHE QD 1 102 ASN HB2 3.000 . 3.600 3.162 2.825 3.410 . 0 0 "[ . 1 . 2]" 1
747 1 97 PHE QD 1 102 ASN HB3 3.000 . 3.600 2.542 2.223 2.778 . 0 0 "[ . 1 . 2]" 1
748 1 97 PHE QD 1 103 LEU HA 3.200 . 3.800 3.027 2.918 3.141 . 0 0 "[ . 1 . 2]" 1
749 1 97 PHE QD 1 103 LEU MD1 3.000 . 3.600 2.055 1.924 2.159 . 0 0 "[ . 1 . 2]" 1
750 1 97 PHE QD 1 103 LEU MD2 3.200 . 3.800 3.886 3.817 3.940 0.140 2 0 "[ . 1 . 2]" 1
751 1 97 PHE QD 1 106 HIS HB2 4.500 . 5.400 4.683 4.557 4.855 . 0 0 "[ . 1 . 2]" 1
752 1 97 PHE QD 1 106 HIS HB3 4.100 . 4.900 4.323 4.241 4.430 . 0 0 "[ . 1 . 2]" 1
753 1 97 PHE QE 1 103 LEU MD1 3.000 . 3.600 2.858 2.712 3.005 . 0 0 "[ . 1 . 2]" 1
754 1 97 PHE QE 1 106 HIS HB2 3.100 . 3.700 3.307 3.036 3.584 . 0 0 "[ . 1 . 2]" 1
755 1 97 PHE QE 1 106 HIS HB3 2.900 . 3.500 3.358 3.111 3.556 0.056 12 0 "[ . 1 . 2]" 1
756 1 97 PHE HZ 1 106 HIS HB2 4.200 . 5.000 3.034 2.583 3.308 . 0 0 "[ . 1 . 2]" 1
757 1 97 PHE HZ 1 106 HIS HB3 4.300 . 4.800 3.322 2.983 3.520 . 0 0 "[ . 1 . 2]" 1
758 1 97 PHE HZ 1 106 HIS HD2 3.000 . 3.600 3.637 3.568 3.690 0.090 10 0 "[ . 1 . 2]" 1
759 1 98 THR MG 1 99 THR H 4.600 . 5.500 3.955 3.823 4.117 . 0 0 "[ . 1 . 2]" 1
760 1 99 THR H 1 99 THR HB 3.200 . 3.800 2.616 2.514 2.802 . 0 0 "[ . 1 . 2]" 1
761 1 99 THR H 1 99 THR MG 3.600 . 4.300 3.760 3.698 3.813 . 0 0 "[ . 1 . 2]" 1
762 1 99 THR H 1 100 SER H 4.000 . 4.800 4.234 4.110 4.306 . 0 0 "[ . 1 . 2]" 1
763 1 99 THR H 1 102 ASN H 3.700 . 4.400 4.529 4.477 4.583 0.183 2 0 "[ . 1 . 2]" 1
764 1 99 THR HA 1 100 SER H 2.800 . 3.400 2.168 2.149 2.194 . 0 0 "[ . 1 . 2]" 1
765 1 99 THR HB 1 100 SER H 4.100 . 4.900 4.231 4.170 4.295 . 0 0 "[ . 1 . 2]" 1
766 1 99 THR HB 1 102 ASN HB2 4.300 . 5.200 2.282 1.943 2.691 . 0 0 "[ . 1 . 2]" 1
767 1 99 THR HB 1 102 ASN HB3 4.300 . 5.200 3.780 3.530 4.170 . 0 0 "[ . 1 . 2]" 1
768 1 99 THR MG 1 100 SER H 3.200 . 3.800 2.656 2.608 2.697 . 0 0 "[ . 1 . 2]" 1
769 1 99 THR MG 1 101 GLY H 3.800 . 4.600 1.756 1.714 1.843 0.086 9 0 "[ . 1 . 2]" 1
770 1 99 THR MG 1 101 GLY QA 3.600 . 4.300 2.749 2.639 2.951 . 0 0 "[ . 1 . 2]" 1
771 1 99 THR MG 1 102 ASN H 3.600 . 4.300 1.743 1.720 1.765 0.080 13 0 "[ . 1 . 2]" 1
772 1 99 THR MG 1 102 ASN HB2 3.800 . 4.600 3.155 3.022 3.302 . 0 0 "[ . 1 . 2]" 1
773 1 99 THR MG 1 102 ASN HB3 3.600 . 4.300 4.367 4.257 4.522 0.222 4 0 "[ . 1 . 2]" 1
774 1 99 THR MG 1 102 ASN HD21 4.000 . 4.800 3.958 1.886 4.857 0.057 17 0 "[ . 1 . 2]" 1
775 1 99 THR MG 1 102 ASN HD22 3.600 . 4.300 3.718 2.902 4.363 0.063 19 0 "[ . 1 . 2]" 1
776 1 100 SER H 1 100 SER HB2 . . 3.600 3.553 3.503 3.585 . 0 0 "[ . 1 . 2]" 1
777 1 100 SER H 1 100 SER HB3 . . 3.700 2.694 2.600 2.778 . 0 0 "[ . 1 . 2]" 1
778 1 100 SER H 1 102 ASN H 4.000 . 4.700 4.264 4.145 4.392 . 0 0 "[ . 1 . 2]" 1
779 1 100 SER H 1 103 LEU H 3.700 . 4.400 4.539 4.508 4.583 0.183 4 0 "[ . 1 . 2]" 1
780 1 100 SER H 1 103 LEU MD2 3.800 . 4.600 4.684 4.616 4.765 0.165 12 0 "[ . 1 . 2]" 1
781 1 100 SER HA 1 103 LEU H . . 3.700 3.271 3.169 3.403 . 0 0 "[ . 1 . 2]" 1
782 1 100 SER HA 1 103 LEU HB2 3.600 . 4.200 3.003 2.871 3.124 . 0 0 "[ . 1 . 2]" 1
783 1 100 SER HA 1 103 LEU HB3 3.700 . 4.400 1.995 1.867 2.085 . 0 0 "[ . 1 . 2]" 1
784 1 100 SER HA 1 103 LEU MD2 3.500 . 4.200 2.364 2.287 2.493 . 0 0 "[ . 1 . 2]" 1
785 1 100 SER HA 1 103 LEU HG 3.800 . 4.600 4.082 3.984 4.152 . 0 0 "[ . 1 . 2]" 1
786 1 100 SER HA 1 104 LYS H 3.500 . 4.200 3.676 3.567 3.775 . 0 0 "[ . 1 . 2]" 1
787 1 100 SER HB2 1 103 LEU MD2 4.200 . 5.000 3.165 2.964 3.309 . 0 0 "[ . 1 . 2]" 1
788 1 101 GLY H 1 104 LYS H 3.700 . 4.400 4.304 4.221 4.406 0.006 18 0 "[ . 1 . 2]" 1
789 1 101 GLY QA 1 102 ASN H 3.400 . 4.100 2.708 2.638 2.784 . 0 0 "[ . 1 . 2]" 1
790 1 101 GLY QA 1 103 LEU H 3.700 . 4.400 3.765 3.694 3.839 . 0 0 "[ . 1 . 2]" 1
791 1 101 GLY QA 1 104 LYS H 3.400 . 4.100 3.029 2.967 3.170 . 0 0 "[ . 1 . 2]" 1
792 1 101 GLY QA 1 104 LYS QB 3.300 . 4.000 2.082 1.765 2.692 0.035 16 0 "[ . 1 . 2]" 1
793 1 101 GLY QA 1 104 LYS QD 3.700 . 4.400 2.906 1.782 3.582 0.018 14 0 "[ . 1 . 2]" 1
794 1 101 GLY QA 1 104 LYS HG2 4.200 . 5.000 4.034 2.145 4.546 . 0 0 "[ . 1 . 2]" 1
795 1 101 GLY QA 1 105 ARG H 3.600 . 4.300 3.705 3.544 3.893 . 0 0 "[ . 1 . 2]" 1
796 1 102 ASN H 1 102 ASN HB2 3.000 . 3.600 2.442 2.350 2.512 . 0 0 "[ . 1 . 2]" 1
797 1 102 ASN H 1 102 ASN HB3 3.200 . 3.800 3.604 3.587 3.620 . 0 0 "[ . 1 . 2]" 1
798 1 102 ASN H 1 103 LEU H 3.100 . 3.600 2.487 2.372 2.571 . 0 0 "[ . 1 . 2]" 1
799 1 102 ASN H 1 104 LYS H 4.000 . 4.800 4.121 3.979 4.212 . 0 0 "[ . 1 . 2]" 1
800 1 102 ASN H 1 105 ARG H 4.200 . 5.000 4.794 4.648 4.895 . 0 0 "[ . 1 . 2]" 1
801 1 102 ASN HA 1 103 LEU H 3.400 . 4.100 3.467 3.450 3.480 . 0 0 "[ . 1 . 2]" 1
802 1 102 ASN HA 1 105 ARG H . . 3.700 3.630 3.403 3.773 0.073 4 0 "[ . 1 . 2]" 1
803 1 102 ASN HA 1 105 ARG QB 3.600 . 4.300 3.338 2.826 4.231 . 0 0 "[ . 1 . 2]" 1
804 1 102 ASN HA 1 105 ARG QD 4.100 . 4.900 4.072 3.043 4.993 0.093 10 0 "[ . 1 . 2]" 1
805 1 102 ASN HA 1 106 HIS H 3.700 . 4.400 4.431 4.286 4.485 0.085 15 0 "[ . 1 . 2]" 1
806 1 102 ASN HB2 1 102 ASN HD22 3.800 . 4.600 3.815 3.502 4.075 . 0 0 "[ . 1 . 2]" 1
807 1 102 ASN HB2 1 103 LEU H . . 3.500 2.549 2.458 2.764 . 0 0 "[ . 1 . 2]" 1
808 1 102 ASN HB2 1 103 LEU HA 3.400 . 4.100 4.192 4.114 4.349 0.249 14 0 "[ . 1 . 2]" 1
809 1 102 ASN HB3 1 102 ASN HD22 3.700 . 4.400 3.675 3.478 4.042 . 0 0 "[ . 1 . 2]" 1
810 1 102 ASN HB3 1 103 LEU H . . 3.800 3.517 3.428 3.560 . 0 0 "[ . 1 . 2]" 1
811 1 102 ASN HB3 1 103 LEU HA 3.300 . 4.000 4.200 4.097 4.256 0.256 8 0 "[ . 1 . 2]" 1
812 1 103 LEU H 1 103 LEU HB2 2.800 . 3.400 2.670 2.604 2.729 . 0 0 "[ . 1 . 2]" 1
813 1 103 LEU H 1 103 LEU HB3 2.800 . 3.400 2.171 2.129 2.215 . 0 0 "[ . 1 . 2]" 1
814 1 103 LEU H 1 103 LEU MD1 3.600 . 4.300 4.158 4.110 4.198 . 0 0 "[ . 1 . 2]" 1
815 1 103 LEU H 1 103 LEU MD2 3.700 . 3.800 3.991 3.963 4.031 0.231 17 0 "[ . 1 . 2]" 1
816 1 103 LEU H 1 104 LYS H 2.800 . 3.400 2.623 2.549 2.758 . 0 0 "[ . 1 . 2]" 1
817 1 103 LEU H 1 104 LYS QB 3.300 . 4.000 4.136 4.052 4.291 0.291 14 0 "[ . 1 . 2]" 1
818 1 103 LEU H 1 105 ARG H 3.700 . 4.400 4.222 4.080 4.344 . 0 0 "[ . 1 . 2]" 1
819 1 103 LEU HA 1 103 LEU MD1 2.900 . 3.500 2.224 2.116 2.325 . 0 0 "[ . 1 . 2]" 1
820 1 103 LEU HA 1 103 LEU MD2 3.500 . 3.800 3.920 3.883 3.943 0.143 9 0 "[ . 1 . 2]" 1
821 1 103 LEU HA 1 103 LEU HG 3.500 . 4.200 3.247 3.195 3.309 . 0 0 "[ . 1 . 2]" 1
822 1 103 LEU HA 1 104 LYS H 3.500 . 4.200 3.508 3.495 3.526 . 0 0 "[ . 1 . 2]" 1
823 1 103 LEU HA 1 106 HIS H . . 3.600 3.601 3.532 3.646 0.046 1 0 "[ . 1 . 2]" 1
824 1 103 LEU HA 1 106 HIS HB2 4.100 . 4.200 3.870 3.638 4.020 . 0 0 "[ . 1 . 2]" 1
825 1 103 LEU HA 1 106 HIS HB3 3.400 . 4.100 2.805 2.610 3.001 . 0 0 "[ . 1 . 2]" 1
826 1 103 LEU HB2 1 103 LEU MD1 3.100 . 3.700 2.316 2.264 2.352 . 0 0 "[ . 1 . 2]" 1
827 1 103 LEU HB2 1 103 LEU MD2 3.000 . 3.500 2.363 2.293 2.413 . 0 0 "[ . 1 . 2]" 1
828 1 103 LEU HB2 1 104 LYS H . . 3.500 3.722 3.645 3.775 0.275 19 0 "[ . 1 . 2]" 1
829 1 103 LEU HB3 1 103 LEU MD1 3.300 . 3.400 3.168 3.152 3.175 . 0 0 "[ . 1 . 2]" 1
830 1 103 LEU HB3 1 103 LEU MD2 3.200 . 3.400 2.202 2.158 2.245 . 0 0 "[ . 1 . 2]" 1
831 1 103 LEU HB3 1 104 LYS H 3.200 . 3.800 2.288 2.188 2.365 . 0 0 "[ . 1 . 2]" 1
832 1 103 LEU MD1 1 104 LYS H 3.300 . 4.000 4.134 4.015 4.198 0.198 1 0 "[ . 1 . 2]" 1
833 1 103 LEU MD1 1 106 HIS HB2 3.800 . 4.600 4.681 4.614 4.730 0.130 3 0 "[ . 1 . 2]" 1
834 1 103 LEU MD1 1 106 HIS HB3 3.200 . 3.800 3.262 3.175 3.330 . 0 0 "[ . 1 . 2]" 1
835 1 103 LEU MD1 1 107 GLN H 3.700 . 4.400 4.446 4.380 4.515 0.115 20 0 "[ . 1 . 2]" 1
836 1 103 LEU MD1 1 107 GLN HB2 3.900 . 4.700 4.929 4.881 4.987 0.287 5 0 "[ . 1 . 2]" 1
837 1 103 LEU MD1 1 107 GLN HB3 4.100 . 4.600 4.680 4.341 4.809 0.209 7 0 "[ . 1 . 2]" 1
838 1 103 LEU MD1 1 107 GLN HE21 3.400 . 4.100 2.419 2.200 3.710 . 0 0 "[ . 1 . 2]" 1
839 1 103 LEU MD1 1 107 GLN HE22 3.500 . 4.200 2.801 2.384 3.414 . 0 0 "[ . 1 . 2]" 1
840 1 103 LEU MD1 1 107 GLN HG2 3.400 . 4.100 2.682 2.513 2.812 . 0 0 "[ . 1 . 2]" 1
841 1 103 LEU MD1 1 107 GLN HG3 3.300 . 4.000 3.434 3.331 3.577 . 0 0 "[ . 1 . 2]" 1
842 1 103 LEU MD2 1 104 LYS H 3.900 . 4.100 3.497 3.263 3.661 . 0 0 "[ . 1 . 2]" 1
843 1 103 LEU MD2 1 104 LYS HA 4.200 . 5.000 4.187 3.988 4.308 . 0 0 "[ . 1 . 2]" 1
844 1 103 LEU MD2 1 107 GLN HE21 3.300 . 4.000 3.697 2.169 4.232 0.232 18 0 "[ . 1 . 2]" 1
845 1 103 LEU MD2 1 107 GLN HE22 3.500 . 4.200 3.470 2.753 4.075 . 0 0 "[ . 1 . 2]" 1
846 1 103 LEU HG 1 104 LYS H 2.900 . 3.500 2.981 2.740 3.127 . 0 0 "[ . 1 . 2]" 1
847 1 103 LEU HG 1 107 GLN HG2 3.700 . 4.400 2.598 2.449 2.865 . 0 0 "[ . 1 . 2]" 1
848 1 103 LEU HG 1 107 GLN HG3 3.800 . 4.600 2.416 2.236 2.727 . 0 0 "[ . 1 . 2]" 1
849 1 104 LYS H 1 104 LYS HA 2.800 . 3.400 2.716 2.648 2.767 . 0 0 "[ . 1 . 2]" 1
850 1 104 LYS H 1 104 LYS QB 2.800 . 2.900 2.131 2.038 2.205 . 0 0 "[ . 1 . 2]" 1
851 1 104 LYS H 1 104 LYS QD 3.700 . 4.400 4.247 2.693 4.528 0.128 19 0 "[ . 1 . 2]" 1
852 1 104 LYS H 1 104 LYS QE 4.000 . 4.800 4.296 3.982 4.943 0.143 9 0 "[ . 1 . 2]" 1
853 1 104 LYS H 1 104 LYS HG2 3.600 . 4.300 4.187 2.744 4.451 0.151 9 0 "[ . 1 . 2]" 1
854 1 104 LYS H 1 104 LYS HG3 3.600 . 4.300 4.041 2.449 4.446 0.146 16 0 "[ . 1 . 2]" 1
855 1 104 LYS H 1 105 ARG H 2.800 . 3.400 2.982 2.836 3.212 . 0 0 "[ . 1 . 2]" 1
856 1 104 LYS H 1 107 GLN HG2 3.500 . 4.200 4.340 4.232 4.516 0.316 5 0 "[ . 1 . 2]" 1
857 1 104 LYS H 1 107 GLN HG3 3.500 . 4.200 3.612 3.255 4.066 . 0 0 "[ . 1 . 2]" 1
858 1 104 LYS HA 1 104 LYS QB 2.500 . 3.000 2.341 2.155 2.535 . 0 0 "[ . 1 . 2]" 1
859 1 104 LYS HA 1 104 LYS HG2 2.900 . 3.500 3.182 2.368 3.736 0.236 14 0 "[ . 1 . 2]" 1
860 1 104 LYS HA 1 104 LYS HG3 3.000 . 3.600 2.658 2.336 3.612 0.012 14 0 "[ . 1 . 2]" 1
861 1 104 LYS HA 1 105 ARG H 3.400 . 4.100 3.583 3.562 3.614 . 0 0 "[ . 1 . 2]" 1
862 1 104 LYS HA 1 107 GLN H 3.300 . 3.600 3.177 3.079 3.325 . 0 0 "[ . 1 . 2]" 1
863 1 104 LYS HA 1 107 GLN HB2 3.200 . 3.800 2.572 2.407 2.976 . 0 0 "[ . 1 . 2]" 1
864 1 104 LYS HA 1 107 GLN HB3 3.200 . 3.800 3.893 3.804 4.075 0.275 2 0 "[ . 1 . 2]" 1
865 1 104 LYS HA 1 107 GLN HG2 3.900 . 4.700 3.068 2.762 3.346 . 0 0 "[ . 1 . 2]" 1
866 1 104 LYS HA 1 107 GLN HG3 3.900 . 4.700 1.736 1.529 1.951 0.271 3 0 "[ . 1 . 2]" 1
867 1 104 LYS QB 1 104 LYS QE 3.500 . 4.200 2.343 1.795 3.744 0.005 12 0 "[ . 1 . 2]" 1
868 1 104 LYS QB 1 104 LYS HG2 2.500 . 3.000 2.296 2.135 2.393 . 0 0 "[ . 1 . 2]" 1
869 1 104 LYS QB 1 104 LYS HG3 2.600 . 3.100 2.366 2.282 2.504 . 0 0 "[ . 1 . 2]" 1
870 1 104 LYS QB 1 105 ARG H 3.200 . 3.800 2.470 2.306 3.364 . 0 0 "[ . 1 . 2]" 1
871 1 104 LYS QB 1 107 GLN HG2 4.000 . 4.800 4.878 4.526 5.162 0.362 2 0 "[ . 1 . 2]" 1
872 1 104 LYS QB 1 107 GLN HG3 4.200 . 5.000 3.714 3.514 4.010 . 0 0 "[ . 1 . 2]" 1
873 1 104 LYS QD 1 104 LYS HG2 2.000 . 2.400 2.255 2.165 2.385 . 0 0 "[ . 1 . 2]" 1
874 1 104 LYS QD 1 104 LYS HG3 2.100 . 2.500 2.329 2.171 2.440 . 0 0 "[ . 1 . 2]" 1
875 1 104 LYS QE 1 104 LYS HG2 2.900 . 3.500 3.020 2.346 3.530 0.030 1 0 "[ . 1 . 2]" 1
876 1 104 LYS QE 1 104 LYS HG3 3.100 . 3.700 2.747 2.262 3.507 . 0 0 "[ . 1 . 2]" 1
877 1 104 LYS HG2 1 105 ARG H 3.900 . 4.700 3.657 2.007 5.022 0.322 18 0 "[ . 1 . 2]" 1
878 1 104 LYS HG3 1 105 ARG H 4.300 . 5.200 4.399 2.780 4.681 . 0 0 "[ . 1 . 2]" 1
879 1 105 ARG H 1 105 ARG HA 2.600 . 3.100 2.790 2.748 2.839 . 0 0 "[ . 1 . 2]" 1
880 1 105 ARG H 1 105 ARG QB 2.200 . 2.600 2.522 2.389 2.659 0.059 15 0 "[ . 1 . 2]" 1
881 1 105 ARG H 1 105 ARG QD 3.300 . 4.000 3.691 2.912 4.062 0.062 1 0 "[ . 1 . 2]" 1
882 1 105 ARG H 1 105 ARG HG2 . . 3.000 2.565 1.900 3.283 0.283 12 0 "[ . 1 . 2]" 1
883 1 105 ARG H 1 105 ARG HG3 2.900 . 3.500 2.869 1.917 3.583 0.083 7 0 "[ . 1 . 2]" 1
884 1 105 ARG H 1 106 HIS H 2.800 . 3.200 2.699 2.540 2.873 . 0 0 "[ . 1 . 2]" 1
885 1 105 ARG H 1 107 GLN H 3.600 . 4.300 3.875 3.807 3.976 . 0 0 "[ . 1 . 2]" 1
886 1 105 ARG HA 1 105 ARG QB 2.500 . 3.000 2.325 2.157 2.420 . 0 0 "[ . 1 . 2]" 1
887 1 105 ARG HA 1 105 ARG QD 3.500 . 4.200 3.161 2.091 4.210 0.010 4 0 "[ . 1 . 2]" 1
888 1 105 ARG HA 1 105 ARG HG2 3.300 . 4.000 3.024 2.397 4.147 0.147 6 0 "[ . 1 . 2]" 1
889 1 105 ARG HA 1 105 ARG HG3 3.200 . 3.800 3.571 3.187 3.863 0.063 15 0 "[ . 1 . 2]" 1
890 1 105 ARG HA 1 106 HIS H 3.700 . 3.700 3.503 3.465 3.538 . 0 0 "[ . 1 . 2]" 1
891 1 105 ARG HA 1 108 LEU H . . 3.800 3.471 3.199 3.695 . 0 0 "[ . 1 . 2]" 1
892 1 105 ARG HA 1 108 LEU QD 3.000 . 3.600 1.914 1.758 2.038 0.042 16 0 "[ . 1 . 2]" 1
893 1 105 ARG QB 1 105 ARG QD 2.500 . 3.000 2.340 2.033 2.893 . 0 0 "[ . 1 . 2]" 1
894 1 105 ARG QB 1 105 ARG HG3 2.300 . 2.800 2.251 2.148 2.476 . 0 0 "[ . 1 . 2]" 1
895 1 105 ARG QB 1 106 HIS H 3.300 . 4.000 2.688 2.301 3.594 . 0 0 "[ . 1 . 2]" 1
896 1 105 ARG HB2 1 105 ARG HG3 2.200 . 2.600 2.436 2.325 2.947 0.347 5 0 "[ . 1 . 2]" 1
897 1 105 ARG QD 1 108 LEU QD 3.900 . 4.700 3.785 2.517 4.756 0.056 16 0 "[ . 1 . 2]" 1
898 1 105 ARG HG2 1 106 HIS H 3.800 . 4.600 4.234 2.682 4.875 0.275 12 0 "[ . 1 . 2]" 1
899 1 105 ARG HG3 1 106 HIS H 4.000 . 4.800 4.067 2.277 4.830 0.030 13 0 "[ . 1 . 2]" 1
900 1 106 HIS H 1 106 HIS HB2 2.600 . 3.100 2.647 2.553 2.757 . 0 0 "[ . 1 . 2]" 1
901 1 106 HIS H 1 106 HIS HB3 2.600 . 3.100 2.451 2.399 2.495 . 0 0 "[ . 1 . 2]" 1
902 1 106 HIS H 1 107 GLN H 2.800 . 3.400 2.547 2.437 2.671 . 0 0 "[ . 1 . 2]" 1
903 1 106 HIS H 1 108 LEU H 3.800 . 4.600 3.895 3.732 4.035 . 0 0 "[ . 1 . 2]" 1
904 1 106 HIS H 1 109 VAL H 4.100 . 4.900 4.874 4.725 4.951 0.051 12 0 "[ . 1 . 2]" 1
905 1 106 HIS HA 1 107 GLN H 3.400 . 4.100 3.407 3.381 3.427 . 0 0 "[ . 1 . 2]" 1
906 1 106 HIS HA 1 108 LEU H 4.100 . 4.400 3.878 3.768 4.024 . 0 0 "[ . 1 . 2]" 1
907 1 106 HIS HA 1 109 VAL H 3.900 . 4.700 3.241 3.089 3.346 . 0 0 "[ . 1 . 2]" 1
908 1 106 HIS HA 1 109 VAL MG1 4.100 . 4.600 2.199 1.994 2.372 . 0 0 "[ . 1 . 2]" 1
909 1 106 HIS HA 1 109 VAL MG2 3.800 . 4.300 2.540 2.422 2.622 . 0 0 "[ . 1 . 2]" 1
910 1 106 HIS HB2 1 106 HIS HD2 3.100 . 3.700 3.815 3.788 3.836 0.136 14 0 "[ . 1 . 2]" 1
911 1 106 HIS HB2 1 107 GLN H 4.000 . 4.800 4.254 4.218 4.299 . 0 0 "[ . 1 . 2]" 1
912 1 106 HIS HB3 1 106 HIS HD2 3.400 . 4.100 2.694 2.659 2.726 . 0 0 "[ . 1 . 2]" 1
913 1 106 HIS HB3 1 107 GLN H 2.900 . 3.500 3.239 3.177 3.298 . 0 0 "[ . 1 . 2]" 1
914 1 106 HIS HB3 1 109 VAL MG1 4.300 . 5.200 4.793 4.615 4.950 . 0 0 "[ . 1 . 2]" 1
915 1 106 HIS HB3 1 109 VAL MG2 4.500 . 5.400 4.462 4.333 4.539 . 0 0 "[ . 1 . 2]" 1
916 1 106 HIS HD2 1 107 GLN HA 3.000 . 3.600 3.704 3.665 3.756 0.156 10 0 "[ . 1 . 2]" 1
917 1 107 GLN H 1 107 GLN HA 2.900 . 3.500 2.888 2.868 2.901 . 0 0 "[ . 1 . 2]" 1
918 1 107 GLN H 1 107 GLN HB2 3.400 . 4.100 2.596 2.503 2.842 . 0 0 "[ . 1 . 2]" 1
919 1 107 GLN H 1 107 GLN HB3 3.400 . 4.100 3.629 3.587 3.666 . 0 0 "[ . 1 . 2]" 1
920 1 107 GLN H 1 107 GLN HE21 4.100 . 4.900 4.650 4.092 5.105 0.205 8 0 "[ . 1 . 2]" 1
921 1 107 GLN H 1 107 GLN HG2 . . 3.200 2.534 2.274 2.892 . 0 0 "[ . 1 . 2]" 1
922 1 107 GLN H 1 107 GLN HG3 . . 3.100 2.972 2.191 3.304 0.204 18 0 "[ . 1 . 2]" 1
923 1 107 GLN H 1 108 LEU H 3.000 . 3.500 2.028 1.962 2.099 . 0 0 "[ . 1 . 2]" 1
924 1 107 GLN H 1 108 LEU HB2 3.500 . 4.200 3.921 3.789 4.073 . 0 0 "[ . 1 . 2]" 1
925 1 107 GLN H 1 108 LEU QD 3.200 . 3.800 3.149 3.069 3.222 . 0 0 "[ . 1 . 2]" 1
926 1 107 GLN H 1 109 VAL H 3.200 . 3.800 3.680 3.632 3.721 . 0 0 "[ . 1 . 2]" 1
927 1 107 GLN H 1 110 HIS H 3.900 . 4.700 4.921 4.868 4.981 0.281 6 0 "[ . 1 . 2]" 1
928 1 107 GLN HA 1 107 GLN HG2 3.200 . 3.800 2.767 2.701 2.891 . 0 0 "[ . 1 . 2]" 1
929 1 107 GLN HA 1 107 GLN HG3 3.200 . 3.800 3.804 3.572 3.869 0.069 14 0 "[ . 1 . 2]" 1
930 1 107 GLN HA 1 108 LEU H 3.900 . 4.300 3.383 3.359 3.401 . 0 0 "[ . 1 . 2]" 1
931 1 107 GLN HA 1 109 VAL H 4.000 . 4.100 4.041 3.867 4.204 0.104 18 0 "[ . 1 . 2]" 1
932 1 107 GLN HA 1 109 VAL MG1 4.200 . 5.000 5.067 5.015 5.128 0.128 14 0 "[ . 1 . 2]" 1
933 1 107 GLN HA 1 109 VAL MG2 4.100 . 4.900 3.800 3.708 3.920 . 0 0 "[ . 1 . 2]" 1
934 1 107 GLN HA 1 110 HIS H 3.700 . 4.000 3.649 3.513 3.804 . 0 0 "[ . 1 . 2]" 1
935 1 107 GLN HA 1 110 HIS HB2 4.000 . 4.800 3.345 3.140 3.547 . 0 0 "[ . 1 . 2]" 1
936 1 107 GLN HA 1 110 HIS HB3 4.400 . 5.300 4.960 4.763 5.150 . 0 0 "[ . 1 . 2]" 1
937 1 107 GLN HA 1 110 HIS HD2 2.700 . 3.200 2.742 2.507 3.047 . 0 0 "[ . 1 . 2]" 1
938 1 107 GLN HB2 1 107 GLN HE21 3.800 . 4.600 4.160 3.388 4.305 . 0 0 "[ . 1 . 2]" 1
939 1 107 GLN HB2 1 107 GLN HE22 3.900 . 4.700 2.817 2.754 2.888 . 0 0 "[ . 1 . 2]" 1
940 1 107 GLN HB2 1 108 LEU H 3.400 . 4.100 2.834 2.766 2.912 . 0 0 "[ . 1 . 2]" 1
941 1 107 GLN HB3 1 107 GLN HE21 3.800 . 4.600 3.321 2.705 4.013 . 0 0 "[ . 1 . 2]" 1
942 1 107 GLN HB3 1 107 GLN HE22 3.900 . 4.700 3.475 3.360 3.637 . 0 0 "[ . 1 . 2]" 1
943 1 107 GLN HB3 1 108 LEU H 3.300 . 4.000 3.965 3.886 4.074 0.074 5 0 "[ . 1 . 2]" 1
944 1 107 GLN HB3 1 108 LEU QD 3.600 . 4.300 3.417 3.288 3.640 . 0 0 "[ . 1 . 2]" 1
945 1 107 GLN HE21 1 107 GLN HG2 3.000 . 3.600 2.397 2.163 3.404 . 0 0 "[ . 1 . 2]" 1
946 1 107 GLN HE21 1 107 GLN HG3 3.000 . 3.600 3.189 2.143 3.465 . 0 0 "[ . 1 . 2]" 1
947 1 107 GLN HE22 1 107 GLN HG2 3.300 . 4.000 3.563 3.450 4.041 0.041 8 0 "[ . 1 . 2]" 1
948 1 107 GLN HE22 1 107 GLN HG3 3.300 . 4.000 3.915 3.438 4.050 0.050 5 0 "[ . 1 . 2]" 1
949 1 107 GLN HG2 1 108 LEU H 3.800 . 4.600 4.215 4.064 4.455 . 0 0 "[ . 1 . 2]" 1
950 1 107 GLN HG2 1 108 LEU QD 3.700 . 4.400 4.336 4.216 4.485 0.085 20 0 "[ . 1 . 2]" 1
951 1 107 GLN HG3 1 108 LEU H 3.700 . 4.400 4.320 3.547 4.615 0.215 19 0 "[ . 1 . 2]" 1
952 1 107 GLN HG3 1 108 LEU QD 3.600 . 4.300 3.706 3.256 3.885 . 0 0 "[ . 1 . 2]" 1
953 1 108 LEU H 1 108 LEU HB2 2.900 . 3.500 2.218 2.160 2.275 . 0 0 "[ . 1 . 2]" 1
954 1 108 LEU H 1 108 LEU HB3 3.300 . 4.000 3.500 3.462 3.538 . 0 0 "[ . 1 . 2]" 1
955 1 108 LEU H 1 108 LEU QD 3.200 . 3.600 2.281 2.181 2.355 . 0 0 "[ . 1 . 2]" 1
956 1 108 LEU H 1 109 VAL H 2.900 . 3.500 2.398 2.361 2.428 . 0 0 "[ . 1 . 2]" 1
957 1 108 LEU H 1 109 VAL HA 4.100 . 4.900 4.968 4.938 4.992 0.092 17 0 "[ . 1 . 2]" 1
958 1 108 LEU H 1 109 VAL MG1 4.100 . 4.900 3.507 3.440 3.541 . 0 0 "[ . 1 . 2]" 1
959 1 108 LEU H 1 109 VAL MG2 4.000 . 4.800 3.838 3.760 3.898 . 0 0 "[ . 1 . 2]" 1
960 1 108 LEU H 1 110 HIS H 3.500 . 3.800 3.833 3.767 3.902 0.102 8 0 "[ . 1 . 2]" 1
961 1 108 LEU HA 1 108 LEU HB2 . . 2.900 2.983 2.971 2.995 0.095 9 0 "[ . 1 . 2]" 1
962 1 108 LEU HA 1 108 LEU HB3 . . 3.000 2.574 2.553 2.590 . 0 0 "[ . 1 . 2]" 1
963 1 108 LEU HA 1 108 LEU QD 2.500 . 3.000 1.899 1.833 1.954 . 0 0 "[ . 1 . 2]" 1
964 1 108 LEU HA 1 108 LEU HG . . 3.100 3.023 2.964 3.096 . 0 0 "[ . 1 . 2]" 1
965 1 108 LEU HA 1 109 VAL H 3.200 . 3.800 3.440 3.377 3.488 . 0 0 "[ . 1 . 2]" 1
966 1 108 LEU HA 1 109 VAL MG1 4.200 . 5.000 4.779 4.706 4.860 . 0 0 "[ . 1 . 2]" 1
967 1 108 LEU HA 1 109 VAL MG2 4.000 . 4.800 4.922 4.876 4.990 0.190 20 0 "[ . 1 . 2]" 1
968 1 108 LEU HA 1 111 SER H 3.300 . 4.000 3.182 2.860 4.033 0.033 2 0 "[ . 1 . 2]" 1
969 1 108 LEU HA 1 112 GLY H 3.700 . 4.400 4.375 3.316 4.602 0.202 19 0 "[ . 1 . 2]" 1
970 1 108 LEU HB2 1 108 LEU QD 2.400 . 2.900 2.063 2.045 2.082 . 0 0 "[ . 1 . 2]" 1
971 1 108 LEU HB2 1 109 VAL H 3.200 . 3.800 3.022 2.743 3.216 . 0 0 "[ . 1 . 2]" 1
972 1 108 LEU HB2 1 109 VAL HA 3.800 . 4.600 4.514 4.286 4.681 0.081 11 0 "[ . 1 . 2]" 1
973 1 108 LEU HB2 1 109 VAL MG1 3.900 . 4.700 3.460 3.244 3.571 . 0 0 "[ . 1 . 2]" 1
974 1 108 LEU HB2 1 109 VAL MG2 3.800 . 4.600 4.755 4.666 4.805 0.205 3 0 "[ . 1 . 2]" 1
975 1 108 LEU HB3 1 108 LEU QD . . 2.900 2.524 2.491 2.564 . 0 0 "[ . 1 . 2]" 1
976 1 108 LEU HB3 1 108 LEU HG 2.900 . 3.500 2.251 2.235 2.268 . 0 0 "[ . 1 . 2]" 1
977 1 108 LEU HB3 1 109 VAL H 3.100 . 3.700 3.715 3.503 3.829 0.129 11 0 "[ . 1 . 2]" 1
978 1 108 LEU HB3 1 109 VAL HA 3.800 . 4.600 4.175 3.978 4.260 . 0 0 "[ . 1 . 2]" 1
979 1 108 LEU HB3 1 109 VAL MG1 3.800 . 4.600 4.110 3.986 4.255 . 0 0 "[ . 1 . 2]" 1
980 1 108 LEU QD 1 109 VAL H 3.600 . 4.300 3.842 3.730 3.918 . 0 0 "[ . 1 . 2]" 1
981 1 108 LEU QD 1 112 GLY QA 3.800 . 4.600 4.183 3.929 4.321 . 0 0 "[ . 1 . 2]" 1
982 1 108 LEU QD 1 112 GLY HA3 4.100 . 4.900 4.651 4.456 5.742 0.842 20 2 "[ - . 1 . +]" 1
983 1 109 VAL H 1 109 VAL HA 2.700 . 3.200 2.834 2.794 2.865 . 0 0 "[ . 1 . 2]" 1
984 1 109 VAL H 1 109 VAL HB 2.800 . 3.400 3.593 3.566 3.615 0.215 11 0 "[ . 1 . 2]" 1
985 1 109 VAL H 1 109 VAL MG1 2.800 . 3.200 1.978 1.828 2.097 . 0 0 "[ . 1 . 2]" 1
986 1 109 VAL H 1 109 VAL MG2 2.600 . 3.100 2.138 2.048 2.277 . 0 0 "[ . 1 . 2]" 1
987 1 109 VAL H 1 110 HIS H 2.800 . 3.400 2.395 2.218 2.576 . 0 0 "[ . 1 . 2]" 1
988 1 109 VAL H 1 110 HIS HB2 3.800 . 4.600 4.491 4.329 4.631 0.031 8 0 "[ . 1 . 2]" 1
989 1 109 VAL HA 1 109 VAL HB 2.600 . 3.100 2.394 2.377 2.408 . 0 0 "[ . 1 . 2]" 1
990 1 109 VAL HA 1 109 VAL MG1 3.000 . 3.600 2.441 2.414 2.462 . 0 0 "[ . 1 . 2]" 1
991 1 109 VAL HA 1 109 VAL MG2 2.600 . 3.100 3.168 3.163 3.174 0.074 2 0 "[ . 1 . 2]" 1
992 1 109 VAL HA 1 110 HIS H 3.700 . 3.800 3.426 3.396 3.453 . 0 0 "[ . 1 . 2]" 1
993 1 109 VAL HA 1 111 SER H 3.000 . 3.600 3.628 3.362 3.732 0.132 13 0 "[ . 1 . 2]" 1
994 1 109 VAL HA 1 112 GLY H 3.100 . 3.700 3.678 3.160 3.786 0.086 11 0 "[ . 1 . 2]" 1
995 1 109 VAL HA 1 112 GLY HA3 2.800 . 3.400 3.613 3.486 4.298 0.898 2 2 "[ + . 1 . -]" 1
996 1 109 VAL HB 1 110 HIS H 3.500 . 4.200 4.128 4.097 4.189 . 0 0 "[ . 1 . 2]" 1
997 1 109 VAL MG1 1 109 VAL MG2 2.300 . 2.800 2.057 2.047 2.064 . 0 0 "[ . 1 . 2]" 1
998 1 109 VAL MG1 1 110 HIS H 3.200 . 3.800 3.791 3.757 3.821 0.021 1 0 "[ . 1 . 2]" 1
999 1 109 VAL MG1 1 110 HIS HB2 4.600 . 5.500 5.612 5.563 5.655 0.155 1 0 "[ . 1 . 2]" 1
1000 1 109 VAL MG1 1 110 HIS HD2 3.600 . 4.300 4.408 4.343 4.479 0.179 7 0 "[ . 1 . 2]" 1
1001 1 109 VAL MG1 1 111 SER H 4.500 . 5.400 4.973 4.866 5.074 . 0 0 "[ . 1 . 2]" 1
1002 1 109 VAL MG1 1 112 GLY QA 4.700 . 5.600 4.738 4.596 4.834 . 0 0 "[ . 1 . 2]" 1
1003 1 109 VAL MG2 1 110 HIS H 3.600 . 4.000 2.406 2.336 2.479 . 0 0 "[ . 1 . 2]" 1
1004 1 109 VAL MG2 1 110 HIS HB2 4.300 . 5.200 3.751 3.681 3.870 . 0 0 "[ . 1 . 2]" 1
1005 1 109 VAL MG2 1 110 HIS HD2 3.500 . 4.200 2.296 2.106 2.421 . 0 0 "[ . 1 . 2]" 1
1006 1 109 VAL MG2 1 111 SER H 4.600 . 5.500 4.209 4.119 4.299 . 0 0 "[ . 1 . 2]" 1
1007 1 109 VAL MG2 1 112 GLY QA 4.500 . 5.400 5.527 5.430 5.554 0.154 1 0 "[ . 1 . 2]" 1
1008 1 110 HIS H 1 110 HIS HB2 2.800 . 3.400 2.323 2.257 2.422 . 0 0 "[ . 1 . 2]" 1
1009 1 110 HIS H 1 110 HIS HB3 3.500 . 3.500 3.580 3.549 3.629 0.129 4 0 "[ . 1 . 2]" 1
1010 1 110 HIS H 1 111 SER H 2.900 . 3.500 2.430 2.276 2.783 . 0 0 "[ . 1 . 2]" 1
1011 1 110 HIS HA 1 111 SER H 3.600 . 4.300 3.327 3.199 3.402 . 0 0 "[ . 1 . 2]" 1
1012 1 110 HIS HB2 1 110 HIS HD2 3.300 . 3.500 2.708 2.635 2.787 . 0 0 "[ . 1 . 2]" 1
1013 1 110 HIS HB2 1 110 HIS HE1 4.200 . 5.000 5.200 5.170 5.234 0.234 8 0 "[ . 1 . 2]" 1
1014 1 110 HIS HB2 1 111 SER H 3.900 . 4.700 3.416 3.211 3.811 . 0 0 "[ . 1 . 2]" 1
1015 1 110 HIS HB3 1 110 HIS HD2 3.500 . 3.600 3.823 3.780 3.856 0.256 14 0 "[ . 1 . 2]" 1
1016 1 110 HIS HB3 1 110 HIS HE1 4.200 . 5.000 4.739 4.710 4.761 . 0 0 "[ . 1 . 2]" 1
1017 1 110 HIS HB3 1 111 SER H 3.700 . 4.400 4.073 3.954 4.232 . 0 0 "[ . 1 . 2]" 1
1018 1 111 SER H 1 112 GLY H 3.100 . 3.700 2.314 1.789 2.737 0.011 2 0 "[ . 1 . 2]" 1
1019 1 111 SER H 1 112 GLY HA3 4.300 . 5.200 3.744 3.568 4.027 . 0 0 "[ . 1 . 2]" 1
1020 1 111 SER HA 1 112 GLY H 2.700 . 3.200 2.778 2.541 3.436 0.236 20 0 "[ . 1 . 2]" 1
1021 1 112 GLY H 1 112 GLY QA 2.400 . 2.900 2.376 2.185 2.465 . 0 0 "[ . 1 . 2]" 1
stop_
save_