NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430582 |
2jom   |
15399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jom
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 2171
_Distance_constraint_stats_list.Viol_count 2789
_Distance_constraint_stats_list.Viol_total 6297.764
_Distance_constraint_stats_list.Viol_max 2.967
_Distance_constraint_stats_list.Viol_rms 0.0671
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.1505
_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 36 LEU 4.157 0.221 4 0 "[ . 1 .]"
1 37 GLY 0.400 0.221 4 0 "[ . 1 .]"
1 38 GLY 1.600 0.194 2 0 "[ . 1 .]"
1 39 TYR 4.820 1.519 2 1 "[ + . 1 .]"
1 40 MET 28.010 1.270 5 12 "[****+* **** -*.]"
1 41 LEU 10.242 0.869 14 1 "[ . 1 +.]"
1 42 GLY 3.327 0.444 9 0 "[ . 1 .]"
1 43 SER 10.182 1.270 5 6 "[* - +* 1* * .]"
1 44 ALA 6.494 0.869 14 1 "[ . 1 +.]"
1 45 MET 24.224 1.063 7 8 "[ * . +**- * **]"
1 46 SER 3.108 0.229 9 0 "[ . 1 .]"
1 47 ARG 9.351 1.397 3 1 "[ + . 1 .]"
1 48 PRO 2.062 0.443 3 0 "[ . 1 .]"
1 49 LEU 6.038 0.694 1 2 "[+ . - 1 .]"
1 50 ILE 17.438 0.611 4 3 "[- +. 1 * .]"
1 51 HIS 8.651 0.434 13 0 "[ . 1 .]"
1 52 PHE 3.338 0.327 11 0 "[ . 1 .]"
1 53 GLY 0.066 0.048 12 0 "[ . 1 .]"
1 54 ASN 4.717 0.764 13 1 "[ . 1 + .]"
1 55 ASP 2.866 0.204 2 0 "[ . 1 .]"
1 56 TYR 4.042 1.881 13 2 "[ . -1 + .]"
1 57 GLU 6.436 0.764 13 1 "[ . 1 + .]"
1 58 ASP 3.184 0.204 2 0 "[ . 1 .]"
1 59 ARG 9.357 1.881 13 3 "[ . ** + .]"
1 60 TYR 5.612 0.317 1 0 "[ . 1 .]"
1 61 TYR 8.395 0.445 15 0 "[ . 1 .]"
1 62 ARG 9.993 0.704 10 2 "[ . + -.]"
1 63 GLU 13.062 0.837 1 2 "[+ . 1 -.]"
1 64 ASN 8.136 0.346 14 0 "[ . 1 .]"
1 65 MET 14.860 0.694 1 3 "[+ . * 1 -.]"
1 66 TYR 2.170 0.837 1 1 "[+ . 1 .]"
1 67 ARG 12.992 0.579 12 1 "[ . 1 + .]"
1 68 TYR 3.363 0.260 13 0 "[ . 1 .]"
1 69 PRO 5.258 0.720 10 1 "[ . + .]"
1 70 ASN 10.144 0.380 14 0 "[ . 1 .]"
1 71 GLN 6.492 0.468 1 0 "[ . 1 .]"
1 72 VAL 21.529 0.836 14 1 "[ . 1 +.]"
1 73 TYR 12.940 0.648 6 1 "[ .+ 1 .]"
1 74 TYR 9.311 0.749 9 1 "[ . +1 .]"
1 75 ARG 11.091 0.868 14 7 "[** -* * * +.]"
1 76 PRO 5.488 2.967 12 4 "[ * * +- .]"
1 77 VAL 3.821 0.720 9 2 "[ . +1 - .]"
1 78 ASP 6.544 0.485 7 0 "[ . 1 .]"
1 79 GLN 7.083 2.967 12 1 "[ . 1 + .]"
1 80 TYR 1.598 0.247 15 0 "[ . 1 .]"
1 81 SER 0.004 0.004 6 0 "[ . 1 .]"
1 82 ASN 3.036 0.767 10 3 "[ - . + * .]"
1 83 GLN 6.563 0.963 6 3 "[ - .+ *1 .]"
1 84 ASN 2.600 0.433 12 0 "[ . 1 .]"
1 85 SER 2.680 0.512 3 1 "[ + . 1 .]"
1 86 PHE 3.430 0.835 3 4 "[ + . -* * .]"
1 87 VAL 8.035 0.573 3 2 "[ + .* 1 .]"
1 88 HIS 10.957 1.835 9 3 "[ .- +* .]"
1 89 ASP 8.315 0.512 3 1 "[ + . 1 .]"
1 90 CYS 11.353 0.388 11 0 "[ . 1 .]"
1 91 VAL 10.889 0.236 9 0 "[ . 1 .]"
1 92 ASN 5.282 0.862 5 6 "[ * + ** - *]"
1 93 ILE 20.142 0.862 5 7 "[ * + ** -**]"
1 94 THR 24.300 0.408 12 0 "[ . 1 .]"
1 95 VAL 12.508 0.434 11 0 "[ . 1 .]"
1 96 LYS 16.433 1.889 4 3 "[ +. 1 -*.]"
1 97 GLN 4.919 0.917 12 3 "[ .- 1*+ .]"
1 98 HIS 7.662 0.358 6 0 "[ . 1 .]"
1 99 THR 15.642 0.863 15 3 "[ . *- 1 +]"
1 100 VAL 11.109 1.889 4 3 "[ +. 1-* .]"
1 101 THR 7.568 0.249 2 0 "[ . 1 .]"
1 102 THR 17.365 0.863 15 3 "[ . *- 1 +]"
1 103 THR 13.928 0.458 5 0 "[ . 1 .]"
1 104 THR 4.712 0.238 8 0 "[ . 1 .]"
1 105 LYS 4.641 0.339 2 0 "[ . 1 .]"
1 106 GLY 3.437 0.359 12 0 "[ . 1 .]"
1 107 GLU 3.574 0.294 15 0 "[ . 1 .]"
1 108 ASN 0.627 0.152 4 0 "[ . 1 .]"
1 109 PHE 11.110 0.934 4 2 "[ - +. 1 .]"
1 110 THR 8.063 0.786 2 6 "[ + ** *-* .]"
1 111 GLU 6.895 0.788 3 1 "[ + . 1 .]"
1 112 THR 6.080 0.410 12 0 "[ . 1 .]"
1 113 ASP 10.622 0.786 2 7 "[ + ** *-* * .]"
1 114 ILE 14.725 0.788 3 2 "[ + . 1 -]"
1 115 LYS 21.082 1.456 6 5 "[* .+ *1* -]"
1 116 ILE 24.051 0.934 4 2 "[ - +. 1 .]"
1 117 MET 21.340 1.456 6 4 "[- .+ *1* .]"
1 118 GLU 6.853 0.447 15 0 "[ . 1 .]"
1 119 ARG 12.522 0.422 10 0 "[ . 1 .]"
1 120 VAL 12.132 0.720 10 4 "[- *. + * .]"
1 121 VAL 6.337 0.258 13 0 "[ . 1 .]"
1 122 GLU 5.741 0.240 11 0 "[ . 1 .]"
1 123 GLN 9.339 1.835 9 2 "[ . +- .]"
1 124 MET 18.834 1.397 3 7 "[ + . ***- * *.]"
1 125 CYS 0.109 0.035 3 0 "[ . 1 .]"
1 126 VAL 2.402 0.320 10 0 "[ . 1 .]"
1 127 THR 2.670 0.256 6 0 "[ . 1 .]"
1 128 GLN 7.822 1.063 7 3 "[ - . + 1 *]"
1 129 TYR 4.475 0.963 6 1 "[ .+ 1 .]"
1 130 GLN 1.246 0.505 12 1 "[ . 1 + .]"
1 131 GLN 1.601 0.312 14 0 "[ . 1 .]"
1 132 GLU 0.268 0.079 12 0 "[ . 1 .]"
1 133 SER 1.149 0.613 12 1 "[ . 1 + .]"
1 134 GLN 1.504 0.312 14 0 "[ . 1 .]"
1 135 ALA 1.310 0.292 3 0 "[ . 1 .]"
1 136 ALA 3.468 0.244 8 0 "[ . 1 .]"
1 137 TYR 2.848 0.244 8 0 "[ . 1 .]"
1 138 GLN 1.040 0.292 3 0 "[ . 1 .]"
1 139 ARG 1.113 0.101 8 0 "[ . 1 .]"
1 140 ALA 1.846 0.170 15 0 "[ . 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 36 LEU HA 1 36 LEU QB 2.500 . 3.300 2.481 2.316 2.533 . 0 0 "[ . 1 .]" 1
2 1 36 LEU HA 1 36 LEU MD1 2.900 . 4.000 2.413 2.014 2.619 . 0 0 "[ . 1 .]" 1
3 1 36 LEU HA 1 36 LEU MD2 3.200 . 4.400 3.785 3.749 3.970 . 0 0 "[ . 1 .]" 1
4 1 36 LEU HA 1 36 LEU HG 2.500 . 3.300 2.507 2.402 2.973 . 0 0 "[ . 1 .]" 1
5 1 36 LEU HA 1 37 GLY H 2.300 . 3.000 2.510 2.169 3.041 0.041 1 0 "[ . 1 .]" 1
6 1 36 LEU HA 1 37 GLY HA3 4.600 . 6.000 4.538 4.291 4.990 . 0 0 "[ . 1 .]" 1
7 1 36 LEU HA 1 38 GLY H 4.300 . 6.000 3.678 3.265 4.153 . 0 0 "[ . 1 .]" 1
8 1 36 LEU HA 1 38 GLY HA2 4.500 . 6.000 5.950 5.424 6.126 0.126 10 0 "[ . 1 .]" 1
9 1 36 LEU HA 1 38 GLY HA3 4.400 . 6.000 5.738 5.192 6.063 0.063 15 0 "[ . 1 .]" 1
10 1 36 LEU HA 1 39 TYR QD 2.700 . 6.000 2.168 1.752 3.713 . 0 0 "[ . 1 .]" 1
11 1 36 LEU HA 1 73 TYR QD 4.100 . 6.000 5.739 5.262 6.070 0.070 11 0 "[ . 1 .]" 1
12 1 36 LEU HA 1 93 ILE MD 5.500 . 6.000 5.333 4.588 5.834 . 0 0 "[ . 1 .]" 1
13 1 36 LEU HA 1 93 ILE MG 4.300 . 6.000 4.244 3.808 4.721 . 0 0 "[ . 1 .]" 1
14 1 36 LEU QB 1 36 LEU MD1 3.100 . 4.300 2.311 2.138 2.395 . 0 0 "[ . 1 .]" 1
15 1 36 LEU QB 1 36 LEU MD2 3.300 . 3.400 2.093 2.076 2.113 . 0 0 "[ . 1 .]" 1
16 1 36 LEU QB 1 37 GLY H 3.400 . 4.900 3.261 1.679 3.884 0.221 4 0 "[ . 1 .]" 1
17 1 36 LEU QB 1 39 TYR HA 5.300 . 6.000 5.501 5.046 5.875 . 0 0 "[ . 1 .]" 1
18 1 36 LEU QB 1 39 TYR QB 5.800 . 6.000 2.967 2.537 3.343 . 0 0 "[ . 1 .]" 1
19 1 36 LEU QB 1 39 TYR QD 5.000 . 6.000 3.388 1.882 4.629 . 0 0 "[ . 1 .]" 1
20 1 36 LEU MD1 1 36 LEU MD2 2.200 . 2.800 2.084 2.073 2.091 . 0 0 "[ . 1 .]" 1
21 1 36 LEU MD1 1 39 TYR QD 3.600 . 5.200 2.930 1.987 4.190 0.013 9 0 "[ . 1 .]" 1
22 1 36 LEU MD1 1 93 ILE MD 3.700 . 6.000 3.982 3.347 4.422 . 0 0 "[ . 1 .]" 1
23 1 36 LEU MD1 1 93 ILE QG 3.200 . 6.000 4.638 4.259 4.961 . 0 0 "[ . 1 .]" 1
24 1 36 LEU MD1 1 93 ILE MG 2.900 . 3.900 2.279 2.028 2.501 . 0 0 "[ . 1 .]" 1
25 1 36 LEU MD1 1 96 LYS HB2 3.600 . 6.000 5.614 5.247 6.041 0.041 1 0 "[ . 1 .]" 1
26 1 36 LEU MD1 1 97 GLN HA 4.500 . 6.000 5.702 5.067 6.039 0.039 15 0 "[ . 1 .]" 1
27 1 36 LEU MD1 1 97 GLN QB 3.800 . 5.600 4.606 4.087 5.046 . 0 0 "[ . 1 .]" 1
28 1 36 LEU MD2 1 36 LEU HG 3.000 . 4.100 2.126 2.122 2.131 . 0 0 "[ . 1 .]" 1
29 1 36 LEU MD2 1 39 TYR QB 4.700 . 6.000 2.809 2.238 3.978 . 0 0 "[ . 1 .]" 1
30 1 36 LEU MD2 1 39 TYR QD 4.200 . 6.000 3.860 2.870 5.135 . 0 0 "[ . 1 .]" 1
31 1 36 LEU MD2 1 73 TYR HH 3.100 . 4.300 4.320 3.234 4.501 0.201 6 0 "[ . 1 .]" 1
32 1 36 LEU MD2 1 93 ILE MD 3.300 . 6.000 5.681 5.113 6.024 0.024 12 0 "[ . 1 .]" 1
33 1 36 LEU MD2 1 93 ILE MG 3.100 . 4.300 3.602 2.990 4.096 . 0 0 "[ . 1 .]" 1
34 1 36 LEU HG 1 40 MET H 4.300 . 6.000 6.042 5.844 6.129 0.129 15 0 "[ . 1 .]" 1
35 1 37 GLY H 1 37 GLY HA3 2.400 . 3.100 2.524 2.299 2.959 . 0 0 "[ . 1 .]" 1
36 1 37 GLY H 1 38 GLY H 2.800 . 3.800 2.727 2.027 3.747 . 0 0 "[ . 1 .]" 1
37 1 37 GLY H 1 38 GLY HA2 3.000 . 6.000 4.980 4.407 5.823 . 0 0 "[ . 1 .]" 1
38 1 37 GLY HA3 1 38 GLY HA2 2.500 . 6.000 4.648 4.396 5.178 . 0 0 "[ . 1 .]" 1
39 1 38 GLY H 1 38 GLY HA2 2.500 . 3.300 2.825 2.433 2.962 . 0 0 "[ . 1 .]" 1
40 1 38 GLY H 1 38 GLY HA3 2.300 . 3.000 2.579 2.328 2.959 . 0 0 "[ . 1 .]" 1
41 1 38 GLY H 1 39 TYR H 2.500 . 3.300 2.457 1.933 3.223 . 0 0 "[ . 1 .]" 1
42 1 38 GLY H 1 39 TYR QD 5.100 . 6.000 3.691 3.013 4.727 . 0 0 "[ . 1 .]" 1
43 1 38 GLY HA2 1 39 TYR H 3.200 . 4.500 2.901 2.540 3.495 . 0 0 "[ . 1 .]" 1
44 1 38 GLY HA2 1 39 TYR HA 3.600 . 5.200 4.421 4.262 4.806 . 0 0 "[ . 1 .]" 1
45 1 38 GLY HA2 1 40 MET HA 3.400 . 6.000 6.044 5.907 6.194 0.194 2 0 "[ . 1 .]" 1
46 1 38 GLY HA3 1 39 TYR H 3.200 . 4.500 3.387 2.791 3.543 . 0 0 "[ . 1 .]" 1
47 1 39 TYR H 1 39 TYR HA 2.800 . 3.800 2.905 2.770 2.940 . 0 0 "[ . 1 .]" 1
48 1 39 TYR H 1 39 TYR QB 2.400 . 3.100 2.519 2.242 2.667 . 0 0 "[ . 1 .]" 1
49 1 39 TYR H 1 39 TYR QD 2.500 . 6.000 3.099 2.436 3.575 . 0 0 "[ . 1 .]" 1
50 1 39 TYR H 1 40 MET H 4.900 . 6.000 4.044 3.805 4.410 . 0 0 "[ . 1 .]" 1
51 1 39 TYR H 1 40 MET HB3 5.100 . 6.000 5.342 4.977 5.892 . 0 0 "[ . 1 .]" 1
52 1 39 TYR H 1 75 ARG QD 3.900 . 6.000 5.656 5.198 5.962 . 0 0 "[ . 1 .]" 1
53 1 39 TYR HA 1 39 TYR QB 2.900 . 3.900 2.388 2.162 2.445 . 0 0 "[ . 1 .]" 1
54 1 39 TYR HA 1 39 TYR QD 3.200 . 4.500 2.500 1.892 3.582 0.008 11 0 "[ . 1 .]" 1
55 1 39 TYR HA 1 39 TYR HH 4.600 . 6.000 6.255 6.102 7.519 1.519 2 1 "[ + . 1 .]" 1
56 1 39 TYR HA 1 40 MET H 2.300 . 3.000 2.117 1.999 2.211 . 0 0 "[ . 1 .]" 1
57 1 39 TYR HA 1 40 MET HA 3.100 . 6.000 4.386 4.322 4.446 . 0 0 "[ . 1 .]" 1
58 1 39 TYR HA 1 40 MET HB2 5.400 . 6.000 5.616 5.393 5.731 . 0 0 "[ . 1 .]" 1
59 1 39 TYR HA 1 40 MET ME 4.900 . 6.000 5.883 5.536 6.108 0.108 7 0 "[ . 1 .]" 1
60 1 39 TYR HA 1 40 MET HG3 4.900 . 6.000 4.532 4.173 5.391 . 0 0 "[ . 1 .]" 1
61 1 39 TYR HA 1 75 ARG H 4.300 . 6.000 3.126 2.811 3.595 . 0 0 "[ . 1 .]" 1
62 1 39 TYR HA 1 75 ARG HA 3.800 . 5.600 3.653 3.144 4.020 . 0 0 "[ . 1 .]" 1
63 1 39 TYR QB 1 39 TYR QD 3.200 . 4.200 2.170 2.121 2.328 . 0 0 "[ . 1 .]" 1
64 1 39 TYR QB 1 40 MET H 3.500 . 5.000 3.524 3.144 3.692 . 0 0 "[ . 1 .]" 1
65 1 39 TYR QB 1 40 MET HA 4.300 . 6.000 4.390 4.217 4.636 . 0 0 "[ . 1 .]" 1
66 1 39 TYR QB 1 41 LEU HG 4.700 . 6.000 5.986 5.781 6.081 0.081 10 0 "[ . 1 .]" 1
67 1 39 TYR QB 1 73 TYR HA 5.200 . 6.000 3.258 2.719 3.709 . 0 0 "[ . 1 .]" 1
68 1 39 TYR QB 1 73 TYR HB2 3.100 . 4.300 3.868 3.551 4.367 0.067 9 0 "[ . 1 .]" 1
69 1 39 TYR QB 1 73 TYR HB3 4.700 . 6.000 2.298 1.915 2.971 . 0 0 "[ . 1 .]" 1
70 1 39 TYR QB 1 74 TYR H 3.400 . 4.900 3.315 2.853 3.745 . 0 0 "[ . 1 .]" 1
71 1 39 TYR QB 1 74 TYR HA 3.100 . 4.300 3.292 2.652 3.731 . 0 0 "[ . 1 .]" 1
72 1 39 TYR QB 1 75 ARG H 5.500 . 6.000 4.849 4.503 5.022 . 0 0 "[ . 1 .]" 1
73 1 39 TYR QB 1 75 ARG HA 4.600 . 6.000 5.375 4.959 5.638 . 0 0 "[ . 1 .]" 1
74 1 39 TYR QB 1 93 ILE QG 5.600 . 6.000 4.587 3.919 4.883 . 0 0 "[ . 1 .]" 1
75 1 39 TYR QB 1 93 ILE MG 3.400 . 4.800 3.440 3.142 3.810 . 0 0 "[ . 1 .]" 1
76 1 39 TYR QD 1 40 MET H 4.600 . 6.000 4.064 3.357 4.580 . 0 0 "[ . 1 .]" 1
77 1 39 TYR QD 1 73 TYR HB3 4.300 . 6.000 3.020 1.973 3.986 0.027 14 0 "[ . 1 .]" 1
78 1 39 TYR QD 1 74 TYR HB3 3.900 . 5.800 3.788 2.838 6.132 0.332 2 0 "[ . 1 .]" 1
79 1 40 MET H 1 40 MET HA 2.700 . 3.600 2.897 2.850 2.921 . 0 0 "[ . 1 .]" 1
80 1 40 MET H 1 40 MET HB2 3.800 . 5.600 3.633 3.542 3.831 . 0 0 "[ . 1 .]" 1
81 1 40 MET H 1 40 MET HB3 3.000 . 4.100 2.561 2.356 2.872 . 0 0 "[ . 1 .]" 1
82 1 40 MET H 1 40 MET HG3 3.200 . 4.500 2.672 2.340 3.635 . 0 0 "[ . 1 .]" 1
83 1 40 MET H 1 41 LEU H 5.200 . 6.000 4.418 3.828 4.615 . 0 0 "[ . 1 .]" 1
84 1 40 MET H 1 41 LEU HA 3.700 . 5.400 4.899 4.167 5.166 . 0 0 "[ . 1 .]" 1
85 1 40 MET H 1 42 GLY HA3 4.600 . 6.000 6.132 6.038 6.222 0.222 14 0 "[ . 1 .]" 1
86 1 40 MET H 1 73 TYR HA 5.600 . 6.000 4.898 4.144 5.659 . 0 0 "[ . 1 .]" 1
87 1 40 MET H 1 74 TYR H 3.100 . 4.300 3.328 2.566 3.991 . 0 0 "[ . 1 .]" 1
88 1 40 MET H 1 74 TYR HA 4.200 . 6.000 3.592 3.340 3.780 . 0 0 "[ . 1 .]" 1
89 1 40 MET H 1 74 TYR HB2 4.700 . 6.000 5.092 4.841 5.864 . 0 0 "[ . 1 .]" 1
90 1 40 MET H 1 75 ARG HA 3.400 . 4.900 2.342 1.773 2.876 0.127 9 0 "[ . 1 .]" 1
91 1 40 MET H 1 75 ARG HB3 3.600 . 6.000 3.285 2.518 4.096 . 0 0 "[ . 1 .]" 1
92 1 40 MET H 1 75 ARG QG 6.000 . 6.000 4.628 4.080 5.089 . 0 0 "[ . 1 .]" 1
93 1 40 MET HA 1 40 MET HB2 2.700 . 3.600 2.334 2.301 2.372 . 0 0 "[ . 1 .]" 1
94 1 40 MET HA 1 40 MET HB3 2.800 . 3.800 2.597 2.525 2.655 . 0 0 "[ . 1 .]" 1
95 1 40 MET HA 1 40 MET HG3 3.100 . 4.300 3.675 3.576 3.769 . 0 0 "[ . 1 .]" 1
96 1 40 MET HA 1 41 LEU QD 5.400 . 6.000 4.917 4.266 5.377 . 0 0 "[ . 1 .]" 1
97 1 40 MET HA 1 43 SER H 4.600 . 6.000 6.664 6.304 7.270 1.270 5 6 "[* - +* 1* * .]" 1
98 1 40 MET HA 1 73 TYR HA 4.300 . 6.000 5.489 4.954 5.817 . 0 0 "[ . 1 .]" 1
99 1 40 MET HA 1 74 TYR H 3.800 . 5.600 4.805 4.420 5.087 . 0 0 "[ . 1 .]" 1
100 1 40 MET HA 1 75 ARG HA 4.700 . 6.000 4.521 3.930 5.005 . 0 0 "[ . 1 .]" 1
101 1 40 MET HB2 1 40 MET ME 3.200 . 4.500 3.929 3.651 4.035 . 0 0 "[ . 1 .]" 1
102 1 40 MET HB2 1 40 MET HG3 2.400 . 3.100 2.877 2.485 2.981 . 0 0 "[ . 1 .]" 1
103 1 40 MET HB2 1 41 LEU H 3.500 . 5.000 3.125 2.411 4.119 . 0 0 "[ . 1 .]" 1
104 1 40 MET HB2 1 74 TYR H 4.700 . 6.000 5.679 5.477 5.909 . 0 0 "[ . 1 .]" 1
105 1 40 MET HB2 1 75 ARG H 6.000 . 6.000 6.556 6.298 6.868 0.868 14 7 "[** -* * * +.]" 1
106 1 40 MET HB2 1 75 ARG HA 4.100 . 6.000 3.975 3.558 4.410 . 0 0 "[ . 1 .]" 1
107 1 40 MET HB2 1 75 ARG HB3 5.100 . 6.000 5.817 5.355 6.285 0.285 14 0 "[ . 1 .]" 1
108 1 40 MET HB2 1 76 PRO HD3 4.600 . 6.000 4.496 3.855 5.148 . 0 0 "[ . 1 .]" 1
109 1 40 MET HB3 1 40 MET ME 3.400 . 4.800 4.244 4.029 4.286 . 0 0 "[ . 1 .]" 1
110 1 40 MET HB3 1 40 MET HG3 2.900 . 4.000 2.707 2.555 2.995 . 0 0 "[ . 1 .]" 1
111 1 40 MET HB3 1 74 TYR HA 6.000 . 6.000 6.001 5.810 6.092 0.092 8 0 "[ . 1 .]" 1
112 1 40 MET ME 1 40 MET HG2 2.500 . 3.300 2.658 2.465 2.961 . 0 0 "[ . 1 .]" 1
113 1 40 MET ME 1 40 MET HG3 2.400 . 3.100 2.343 2.210 2.437 . 0 0 "[ . 1 .]" 1
114 1 40 MET ME 1 41 LEU H 5.400 . 6.000 4.540 4.010 5.157 . 0 0 "[ . 1 .]" 1
115 1 40 MET ME 1 41 LEU HA 3.800 . 5.600 4.606 4.249 5.557 . 0 0 "[ . 1 .]" 1
116 1 40 MET ME 1 41 LEU QD 4.300 . 6.000 4.841 4.331 5.409 . 0 0 "[ . 1 .]" 1
117 1 40 MET ME 1 41 LEU HG 4.200 . 6.000 5.951 5.325 6.152 0.152 7 0 "[ . 1 .]" 1
118 1 40 MET ME 1 74 TYR QD 3.800 . 5.600 3.475 3.258 3.675 . 0 0 "[ . 1 .]" 1
119 1 40 MET ME 1 74 TYR QE 3.100 . 4.300 2.859 2.306 4.194 . 0 0 "[ . 1 .]" 1
120 1 40 MET ME 1 75 ARG HB2 3.200 . 6.000 5.491 4.818 5.857 . 0 0 "[ . 1 .]" 1
121 1 40 MET ME 1 75 ARG QG 3.600 . 6.000 5.407 4.452 5.764 . 0 0 "[ . 1 .]" 1
122 1 40 MET ME 1 76 PRO QB 4.300 . 6.000 3.359 2.362 3.912 . 0 0 "[ . 1 .]" 1
123 1 40 MET ME 1 76 PRO HD2 4.600 . 6.000 5.255 4.473 5.867 . 0 0 "[ . 1 .]" 1
124 1 40 MET ME 1 76 PRO HD3 4.400 . 6.000 4.362 3.681 5.022 . 0 0 "[ . 1 .]" 1
125 1 40 MET ME 1 128 GLN HB3 4.100 . 6.000 5.022 4.413 5.966 . 0 0 "[ . 1 .]" 1
126 1 40 MET HG2 1 75 ARG H 4.500 . 6.000 4.860 3.749 5.477 . 0 0 "[ . 1 .]" 1
127 1 40 MET HG2 1 76 PRO HD2 4.600 . 6.000 4.253 3.959 4.838 . 0 0 "[ . 1 .]" 1
128 1 40 MET HG2 1 77 VAL QG 1.800 . 6.000 5.772 4.961 6.185 0.185 11 0 "[ . 1 .]" 1
129 1 40 MET HG3 1 41 LEU H 4.000 . 6.000 4.057 2.241 4.745 . 0 0 "[ . 1 .]" 1
130 1 40 MET HG3 1 74 TYR HB2 4.500 . 6.000 5.398 5.096 6.749 0.749 9 1 "[ . +1 .]" 1
131 1 40 MET HG3 1 75 ARG HA 3.300 . 4.700 2.442 1.882 3.146 0.018 6 0 "[ . 1 .]" 1
132 1 40 MET HG3 1 76 PRO QB 3.500 . 5.000 5.103 4.799 5.682 0.682 10 3 "[ * + - .]" 1
133 1 41 LEU H 1 41 LEU HA 2.200 . 2.800 2.797 2.404 2.898 0.098 9 0 "[ . 1 .]" 1
134 1 41 LEU H 1 41 LEU HB2 2.600 . 6.000 2.419 2.126 3.672 . 0 0 "[ . 1 .]" 1
135 1 41 LEU H 1 41 LEU HB3 3.300 . 6.000 3.057 2.728 3.414 . 0 0 "[ . 1 .]" 1
136 1 41 LEU H 1 41 LEU QD 5.300 . 6.000 3.564 2.815 3.815 . 0 0 "[ . 1 .]" 1
137 1 41 LEU HA 1 41 LEU HB2 3.000 . 6.000 2.675 2.494 2.810 . 0 0 "[ . 1 .]" 1
138 1 41 LEU HA 1 41 LEU HB3 2.800 . 6.000 2.897 2.355 3.002 . 0 0 "[ . 1 .]" 1
139 1 41 LEU HA 1 41 LEU QD 3.400 . 4.100 2.447 1.995 3.416 0.005 9 0 "[ . 1 .]" 1
140 1 41 LEU HA 1 41 LEU HG 3.000 . 4.200 2.331 2.067 3.509 . 0 0 "[ . 1 .]" 1
141 1 41 LEU HA 1 43 SER H 3.100 . 6.000 4.454 4.142 4.857 . 0 0 "[ . 1 .]" 1
142 1 41 LEU HA 1 72 VAL H 3.300 . 4.700 4.713 3.753 5.014 0.314 15 0 "[ . 1 .]" 1
143 1 41 LEU HA 1 73 TYR H 5.200 . 6.000 5.226 4.096 5.492 . 0 0 "[ . 1 .]" 1
144 1 41 LEU HA 1 73 TYR HA 2.800 . 3.800 2.718 1.889 3.066 . 0 0 "[ . 1 .]" 1
145 1 41 LEU HA 1 73 TYR QD 4.300 . 6.000 3.822 2.495 4.616 . 0 0 "[ . 1 .]" 1
146 1 41 LEU HA 1 74 TYR H 4.400 . 6.000 3.296 2.469 3.693 . 0 0 "[ . 1 .]" 1
147 1 41 LEU HB2 1 41 LEU QD 3.100 . 6.000 2.165 2.097 2.259 . 0 0 "[ . 1 .]" 1
148 1 41 LEU HB2 1 42 GLY H 5.200 . 6.000 4.325 3.214 4.611 . 0 0 "[ . 1 .]" 1
149 1 41 LEU HB2 1 73 TYR HA 5.100 . 6.000 5.144 3.622 5.749 . 0 0 "[ . 1 .]" 1
150 1 41 LEU HB3 1 42 GLY H 4.500 . 6.000 3.873 1.731 4.273 . 0 0 "[ . 1 .]" 1
151 1 41 LEU HB3 1 44 ALA HA 4.500 . 6.000 5.869 5.070 6.869 0.869 14 1 "[ . 1 +.]" 1
152 1 41 LEU HB3 1 71 GLN HB2 3.500 . 5.000 4.343 3.388 4.795 . 0 0 "[ . 1 .]" 1
153 1 41 LEU HB3 1 72 VAL H 4.200 . 6.000 5.527 4.466 5.917 . 0 0 "[ . 1 .]" 1
154 1 41 LEU MD1 1 41 LEU MD2 2.400 . 3.100 2.087 2.075 2.102 . 0 0 "[ . 1 .]" 1
155 1 41 LEU QD 1 42 GLY H . . 5.200 3.079 2.217 4.008 . 0 0 "[ . 1 .]" 1
156 1 41 LEU QD 1 69 PRO HG2 6.000 . 6.000 5.316 4.832 5.580 . 0 0 "[ . 1 .]" 1
157 1 41 LEU QD 1 71 GLN HA 3.600 . 5.300 4.002 3.331 5.055 . 0 0 "[ . 1 .]" 1
158 1 41 LEU QD 1 71 GLN HB2 3.500 . 5.100 2.121 1.432 3.552 0.468 1 0 "[ . 1 .]" 1
159 1 41 LEU QD 1 71 GLN HB3 4.400 . 4.800 3.010 2.511 4.000 . 0 0 "[ . 1 .]" 1
160 1 41 LEU QD 1 71 GLN HE21 3.800 . 4.500 2.826 1.822 3.997 0.178 5 0 "[ . 1 .]" 1
161 1 41 LEU QD 1 72 VAL H 4.300 . 6.000 3.524 2.520 4.834 . 0 0 "[ . 1 .]" 1
162 1 41 LEU QD 1 73 TYR HA 4.300 . 6.000 3.609 2.470 4.086 . 0 0 "[ . 1 .]" 1
163 1 41 LEU QD 1 73 TYR QD 4.000 . 6.000 3.458 2.761 4.001 . 0 0 "[ . 1 .]" 1
164 1 41 LEU QD 1 94 THR HA 3.800 . 6.000 5.670 5.054 5.851 . 0 0 "[ . 1 .]" 1
165 1 41 LEU QD 1 94 THR HG1 3.500 . 6.000 4.611 4.265 5.030 . 0 0 "[ . 1 .]" 1
166 1 41 LEU HG 1 42 GLY H 6.000 . 6.000 3.426 1.977 4.753 . 0 0 "[ . 1 .]" 1
167 1 41 LEU HG 1 42 GLY HA3 5.000 . 6.000 5.402 3.642 6.294 0.294 14 0 "[ . 1 .]" 1
168 1 41 LEU HG 1 43 SER H 3.500 . 6.000 5.028 3.876 5.694 . 0 0 "[ . 1 .]" 1
169 1 41 LEU HG 1 44 ALA HA 5.200 . 6.000 6.081 5.509 6.322 0.322 14 0 "[ . 1 .]" 1
170 1 41 LEU HG 1 71 GLN HB2 3.900 . 5.800 3.447 2.403 4.249 . 0 0 "[ . 1 .]" 1
171 1 41 LEU HG 1 72 VAL HA 4.000 . 6.000 5.295 4.492 6.836 0.836 14 1 "[ . 1 +.]" 1
172 1 42 GLY H 1 42 GLY HA3 2.400 . 6.000 2.307 2.207 2.732 . 0 0 "[ . 1 .]" 1
173 1 42 GLY H 1 43 SER H 4.100 . 6.000 3.529 1.954 3.931 0.046 15 0 "[ . 1 .]" 1
174 1 42 GLY H 1 71 GLN HA 4.300 . 6.000 5.460 4.837 6.089 0.089 9 0 "[ . 1 .]" 1
175 1 42 GLY H 1 72 VAL H 4.200 . 6.000 3.424 2.989 4.070 . 0 0 "[ . 1 .]" 1
176 1 42 GLY H 1 72 VAL MG1 5.800 . 6.000 5.509 5.152 6.115 0.115 15 0 "[ . 1 .]" 1
177 1 42 GLY H 1 73 TYR HA 3.800 . 5.600 2.975 2.585 4.377 . 0 0 "[ . 1 .]" 1
178 1 42 GLY H 1 74 TYR QD 4.500 . 6.000 3.951 2.871 4.358 . 0 0 "[ . 1 .]" 1
179 1 42 GLY H 1 74 TYR QE 4.300 . 6.000 4.340 3.403 6.143 0.143 9 0 "[ . 1 .]" 1
180 1 42 GLY HA2 1 43 SER H 2.400 . 3.100 2.463 2.225 2.747 . 0 0 "[ . 1 .]" 1
181 1 42 GLY HA2 1 43 SER HA 3.700 . 5.400 4.467 4.282 4.754 . 0 0 "[ . 1 .]" 1
182 1 42 GLY HA2 1 72 VAL MG2 4.800 . 6.000 3.945 2.787 4.388 . 0 0 "[ . 1 .]" 1
183 1 42 GLY HA2 1 74 TYR QE 3.400 . 4.800 3.314 1.960 4.894 0.094 9 0 "[ . 1 .]" 1
184 1 42 GLY HA3 1 43 SER H 2.800 . 3.800 3.498 3.444 3.520 . 0 0 "[ . 1 .]" 1
185 1 42 GLY HA3 1 43 SER HA 3.900 . 5.800 5.310 5.236 5.334 . 0 0 "[ . 1 .]" 1
186 1 42 GLY HA3 1 72 VAL H 4.200 . 6.000 3.392 2.075 3.951 . 0 0 "[ . 1 .]" 1
187 1 42 GLY HA3 1 74 TYR QD 3.900 . 5.800 3.033 1.958 3.939 0.042 7 0 "[ . 1 .]" 1
188 1 42 GLY HA3 1 74 TYR QE 3.300 . 4.700 2.586 1.882 5.144 0.444 9 0 "[ . 1 .]" 1
189 1 43 SER H 1 43 SER HA 2.300 . 3.000 2.257 2.238 2.271 . 0 0 "[ . 1 .]" 1
190 1 43 SER H 1 43 SER QB 3.100 . 3.800 3.318 3.005 3.404 . 0 0 "[ . 1 .]" 1
191 1 43 SER H 1 44 ALA H 5.000 . 6.000 3.873 3.689 4.185 . 0 0 "[ . 1 .]" 1
192 1 43 SER H 1 71 GLN HB3 4.400 . 6.000 5.472 3.956 6.055 0.055 11 0 "[ . 1 .]" 1
193 1 43 SER H 1 72 VAL H 4.500 . 6.000 4.807 4.369 5.024 . 0 0 "[ . 1 .]" 1
194 1 43 SER HA 1 43 SER QB 2.300 . 3.000 2.343 2.248 2.385 . 0 0 "[ . 1 .]" 1
195 1 43 SER HA 1 44 ALA H 2.200 . 2.800 2.121 2.089 2.159 . 0 0 "[ . 1 .]" 1
196 1 43 SER HA 1 44 ALA MB 4.600 . 6.000 4.025 3.941 4.078 . 0 0 "[ . 1 .]" 1
197 1 43 SER HA 1 71 GLN HA 3.400 . 6.000 5.729 5.462 6.043 0.043 9 0 "[ . 1 .]" 1
198 1 43 SER HA 1 71 GLN HB2 4.300 . 6.000 5.252 4.599 5.631 . 0 0 "[ . 1 .]" 1
199 1 43 SER QB 1 44 ALA H 2.600 . 3.500 3.313 3.067 3.401 . 0 0 "[ . 1 .]" 1
200 1 43 SER QB 1 44 ALA MB 4.400 . 6.000 4.584 4.322 4.878 . 0 0 "[ . 1 .]" 1
201 1 43 SER QB 1 124 MET QB 3.900 . 6.000 5.558 5.451 5.670 . 0 0 "[ . 1 .]" 1
202 1 44 ALA H 1 44 ALA MB 2.400 . 3.100 2.304 2.262 2.426 . 0 0 "[ . 1 .]" 1
203 1 44 ALA H 1 45 MET H 3.400 . 4.900 3.894 3.365 4.247 . 0 0 "[ . 1 .]" 1
204 1 44 ALA H 1 71 GLN HB2 5.100 . 6.000 4.770 4.333 5.411 . 0 0 "[ . 1 .]" 1
205 1 44 ALA HA 1 44 ALA MB 2.100 . 2.700 2.131 2.126 2.139 . 0 0 "[ . 1 .]" 1
206 1 44 ALA HA 1 45 MET H 2.200 . 2.800 2.280 2.144 2.411 . 0 0 "[ . 1 .]" 1
207 1 44 ALA HA 1 45 MET HB2 4.100 . 6.000 5.757 5.670 5.876 . 0 0 "[ . 1 .]" 1
208 1 44 ALA HA 1 45 MET QG 4.200 . 6.000 3.746 3.567 4.089 . 0 0 "[ . 1 .]" 1
209 1 44 ALA HA 1 70 ASN H 3.600 . 5.300 5.189 4.886 5.281 . 0 0 "[ . 1 .]" 1
210 1 44 ALA HA 1 70 ASN HB3 5.100 . 6.000 6.029 5.718 6.171 0.171 2 0 "[ . 1 .]" 1
211 1 44 ALA HA 1 71 GLN HA 4.100 . 6.000 3.339 2.616 4.039 . 0 0 "[ . 1 .]" 1
212 1 44 ALA HA 1 71 GLN HB2 3.500 . 5.100 3.224 2.747 4.114 . 0 0 "[ . 1 .]" 1
213 1 44 ALA HA 1 71 GLN HB3 2.100 . 2.700 1.924 1.574 2.796 0.096 12 0 "[ . 1 .]" 1
214 1 44 ALA MB 1 45 MET H 3.500 . 5.000 3.591 3.433 3.673 . 0 0 "[ . 1 .]" 1
215 1 44 ALA MB 1 45 MET HA 4.000 . 6.000 4.520 4.450 4.604 . 0 0 "[ . 1 .]" 1
216 1 44 ALA MB 1 45 MET HB2 4.600 . 6.000 6.060 5.994 6.129 0.129 14 0 "[ . 1 .]" 1
217 1 44 ALA MB 1 70 ASN HB2 4.100 . 6.000 5.009 4.647 5.536 . 0 0 "[ . 1 .]" 1
218 1 44 ALA MB 1 70 ASN HB3 4.700 . 6.000 6.054 5.911 6.148 0.148 13 0 "[ . 1 .]" 1
219 1 44 ALA MB 1 71 GLN HA 5.600 . 6.000 4.792 4.168 5.382 . 0 0 "[ . 1 .]" 1
220 1 44 ALA MB 1 71 GLN HB2 4.100 . 6.000 4.009 3.360 4.824 . 0 0 "[ . 1 .]" 1
221 1 44 ALA MB 1 71 GLN HB3 3.400 . 4.800 3.130 2.506 4.031 . 0 0 "[ . 1 .]" 1
222 1 45 MET H 1 45 MET HB2 4.000 . 6.000 3.568 3.545 3.584 . 0 0 "[ . 1 .]" 1
223 1 45 MET H 1 45 MET HB3 2.900 . 3.900 2.582 2.382 2.766 . 0 0 "[ . 1 .]" 1
224 1 45 MET H 1 45 MET ME 4.900 . 6.000 4.265 4.026 4.584 . 0 0 "[ . 1 .]" 1
225 1 45 MET H 1 45 MET QG 3.300 . 4.100 2.162 1.960 2.471 . 0 0 "[ . 1 .]" 1
226 1 45 MET H 1 46 SER H 4.400 . 6.000 3.792 2.431 4.646 . 0 0 "[ . 1 .]" 1
227 1 45 MET H 1 70 ASN HA 4.300 . 6.000 5.102 4.870 5.716 . 0 0 "[ . 1 .]" 1
228 1 45 MET H 1 70 ASN HB2 4.300 . 6.000 3.767 3.429 4.146 . 0 0 "[ . 1 .]" 1
229 1 45 MET H 1 71 GLN HA 4.100 . 6.000 3.212 2.872 3.668 . 0 0 "[ . 1 .]" 1
230 1 45 MET H 1 71 GLN QG 5.200 . 6.000 4.867 3.068 5.381 . 0 0 "[ . 1 .]" 1
231 1 45 MET HA 1 45 MET HB2 2.900 . 3.900 2.493 2.413 2.554 . 0 0 "[ . 1 .]" 1
232 1 45 MET HA 1 45 MET HB3 2.700 . 3.600 2.418 2.345 2.526 . 0 0 "[ . 1 .]" 1
233 1 45 MET HA 1 45 MET ME 3.400 . 6.000 5.375 5.297 5.416 . 0 0 "[ . 1 .]" 1
234 1 45 MET HA 1 45 MET QG 4.100 . 6.000 3.326 3.296 3.390 . 0 0 "[ . 1 .]" 1
235 1 45 MET HA 1 46 SER H 2.500 . 3.300 2.767 2.234 3.374 0.074 3 0 "[ . 1 .]" 1
236 1 45 MET HA 1 46 SER HA 4.900 . 6.000 4.714 4.324 5.208 . 0 0 "[ . 1 .]" 1
237 1 45 MET HA 1 71 GLN HB3 3.800 . 6.000 5.957 5.621 6.109 0.109 14 0 "[ . 1 .]" 1
238 1 45 MET HA 1 124 MET ME 4.200 . 6.000 4.494 4.126 4.796 . 0 0 "[ . 1 .]" 1
239 1 45 MET HB2 1 45 MET ME 3.100 . 4.300 3.910 3.689 3.997 . 0 0 "[ . 1 .]" 1
240 1 45 MET HB2 1 46 SER H 3.000 . 4.100 3.188 1.974 4.100 0.000 15 0 "[ . 1 .]" 1
241 1 45 MET HB2 1 48 PRO HG2 2.800 . 6.000 5.869 5.302 6.247 0.247 8 0 "[ . 1 .]" 1
242 1 45 MET HB2 1 70 ASN HB3 5.000 . 6.000 5.454 4.107 6.093 0.093 8 0 "[ . 1 .]" 1
243 1 45 MET HB2 1 124 MET ME 3.700 . 5.400 3.541 3.153 4.036 . 0 0 "[ . 1 .]" 1
244 1 45 MET HB2 1 124 MET QG 5.700 . 6.000 4.427 3.578 5.227 . 0 0 "[ . 1 .]" 1
245 1 45 MET HB3 1 45 MET ME 3.300 . 4.700 3.981 3.793 4.103 . 0 0 "[ . 1 .]" 1
246 1 45 MET HB3 1 45 MET QG 3.100 . 4.300 2.142 2.097 2.188 . 0 0 "[ . 1 .]" 1
247 1 45 MET HB3 1 46 SER H 3.500 . 5.000 4.002 3.450 4.306 . 0 0 "[ . 1 .]" 1
248 1 45 MET HB3 1 46 SER HA 6.000 . 6.000 5.928 5.636 6.226 0.226 10 0 "[ . 1 .]" 1
249 1 45 MET HB3 1 70 ASN HA 4.500 . 6.000 5.890 5.665 6.130 0.130 5 0 "[ . 1 .]" 1
250 1 45 MET HB3 1 124 MET ME 2.400 . 3.100 2.589 2.152 3.090 . 0 0 "[ . 1 .]" 1
251 1 45 MET HB3 1 124 MET QG 3.700 . 5.400 4.279 3.434 4.882 . 0 0 "[ . 1 .]" 1
252 1 45 MET ME 1 45 MET QG 2.100 . 2.600 2.203 2.145 2.246 . 0 0 "[ . 1 .]" 1
253 1 45 MET ME 1 47 ARG HA 2.700 . 3.600 2.866 2.214 3.567 . 0 0 "[ . 1 .]" 1
254 1 45 MET ME 1 47 ARG QD 3.800 . 5.600 5.109 4.706 5.497 . 0 0 "[ . 1 .]" 1
255 1 45 MET ME 1 48 PRO HD2 2.800 . 3.800 3.419 3.084 3.648 . 0 0 "[ . 1 .]" 1
256 1 45 MET ME 1 48 PRO HD3 2.600 . 3.400 2.275 1.819 2.807 . 0 0 "[ . 1 .]" 1
257 1 45 MET ME 1 70 ASN HA 2.200 . 2.800 1.758 1.562 2.003 0.038 6 0 "[ . 1 .]" 1
258 1 45 MET ME 1 70 ASN HB2 2.400 . 3.100 2.593 2.063 3.238 0.138 5 0 "[ . 1 .]" 1
259 1 45 MET ME 1 70 ASN HB3 2.300 . 3.000 2.614 1.740 3.303 0.303 1 0 "[ . 1 .]" 1
260 1 45 MET ME 1 71 GLN H 3.700 . 5.400 3.443 2.923 4.343 . 0 0 "[ . 1 .]" 1
261 1 45 MET ME 1 71 GLN HA 3.200 . 4.500 3.858 3.553 4.247 . 0 0 "[ . 1 .]" 1
262 1 45 MET ME 1 71 GLN QG 3.500 . 6.000 5.009 4.778 5.535 . 0 0 "[ . 1 .]" 1
263 1 45 MET ME 1 72 VAL HA 3.900 . 6.000 6.018 5.476 6.254 0.254 12 0 "[ . 1 .]" 1
264 1 45 MET ME 1 72 VAL MG1 3.400 . 4.800 4.200 3.754 4.656 . 0 0 "[ . 1 .]" 1
265 1 45 MET ME 1 120 VAL HB 2.700 . 3.600 3.642 3.427 3.771 0.171 5 0 "[ . 1 .]" 1
266 1 45 MET ME 1 120 VAL QG 2.000 . 2.500 1.718 1.569 2.060 . 0 0 "[ . 1 .]" 1
267 1 45 MET ME 1 121 VAL HA 3.200 . 4.500 2.851 2.344 3.179 . 0 0 "[ . 1 .]" 1
268 1 45 MET ME 1 121 VAL HB 2.600 . 6.000 4.473 4.016 4.800 . 0 0 "[ . 1 .]" 1
269 1 45 MET ME 1 121 VAL QG 3.700 . 5.400 3.079 2.622 3.417 . 0 0 "[ . 1 .]" 1
270 1 45 MET ME 1 124 MET HA 3.900 . 5.800 4.722 4.154 5.354 . 0 0 "[ . 1 .]" 1
271 1 45 MET ME 1 124 MET QB 2.000 . 4.100 2.609 1.968 3.330 . 0 0 "[ . 1 .]" 1
272 1 45 MET ME 1 124 MET ME 2.400 . 3.100 2.304 1.582 3.088 0.118 13 0 "[ . 1 .]" 1
273 1 45 MET ME 1 124 MET QG 3.100 . 4.300 1.534 1.120 1.950 0.780 7 6 "[ . +**- * *.]" 1
274 1 45 MET ME 1 127 THR HB 4.600 . 6.000 5.819 5.537 6.089 0.089 2 0 "[ . 1 .]" 1
275 1 45 MET ME 1 127 THR HG1 3.700 . 5.400 5.444 5.199 5.656 0.256 6 0 "[ . 1 .]" 1
276 1 45 MET ME 1 128 GLN H 4.600 . 6.000 6.489 6.298 7.063 1.063 7 3 "[ - . + 1 *]" 1
277 1 45 MET QG 1 46 SER H 4.700 . 6.000 3.310 2.318 4.403 . 0 0 "[ . 1 .]" 1
278 1 45 MET QG 1 47 ARG HA 4.300 . 6.000 3.740 3.213 4.628 . 0 0 "[ . 1 .]" 1
279 1 45 MET QG 1 70 ASN HA 4.000 . 6.000 3.198 2.899 3.518 . 0 0 "[ . 1 .]" 1
280 1 45 MET QG 1 70 ASN HB3 3.100 . 4.300 3.193 1.816 4.027 0.084 11 0 "[ . 1 .]" 1
281 1 45 MET QG 1 71 GLN HB2 4.000 . 6.000 5.032 4.719 5.357 . 0 0 "[ . 1 .]" 1
282 1 45 MET QG 1 71 GLN HB3 3.300 . 4.600 4.067 3.662 4.263 . 0 0 "[ . 1 .]" 1
283 1 45 MET QG 1 72 VAL MG1 4.000 . 6.000 5.141 4.765 5.532 . 0 0 "[ . 1 .]" 1
284 1 45 MET QG 1 120 VAL QG 4.600 . 6.000 4.409 4.131 4.712 . 0 0 "[ . 1 .]" 1
285 1 45 MET QG 1 124 MET ME . . 3.300 1.815 1.644 1.991 0.356 7 0 "[ . 1 .]" 1
286 1 45 MET QG 1 124 MET QG 2.600 . 3.500 3.016 2.450 3.369 . 0 0 "[ . 1 .]" 1
287 1 46 SER H 1 46 SER HA 2.700 . 3.600 2.652 2.227 2.947 . 0 0 "[ . 1 .]" 1
288 1 46 SER H 1 46 SER HB2 2.800 . 3.800 3.225 2.564 4.007 0.207 15 0 "[ . 1 .]" 1
289 1 46 SER H 1 47 ARG H 3.900 . 5.800 2.957 2.546 4.528 . 0 0 "[ . 1 .]" 1
290 1 46 SER H 1 124 MET ME 4.400 . 6.000 5.401 4.655 6.003 0.003 5 0 "[ . 1 .]" 1
291 1 46 SER HA 1 46 SER HB2 2.600 . 3.500 2.706 2.496 3.040 . 0 0 "[ . 1 .]" 1
292 1 46 SER HA 1 46 SER HB3 2.700 . 3.600 2.662 2.349 3.040 . 0 0 "[ . 1 .]" 1
293 1 46 SER HA 1 47 ARG H 2.200 . 2.800 2.721 2.273 2.899 0.099 12 0 "[ . 1 .]" 1
294 1 46 SER HA 1 47 ARG QB 3.500 . 5.100 3.836 3.647 4.149 . 0 0 "[ . 1 .]" 1
295 1 46 SER HA 1 70 ASN HA 4.800 . 6.000 6.031 5.598 6.229 0.229 9 0 "[ . 1 .]" 1
296 1 46 SER HB2 1 47 ARG H 3.600 . 5.200 4.369 3.990 4.589 . 0 0 "[ . 1 .]" 1
297 1 46 SER HB3 1 47 ARG H 5.000 . 6.000 4.372 3.865 4.651 . 0 0 "[ . 1 .]" 1
298 1 47 ARG H 1 47 ARG HA 2.000 . 2.500 2.271 2.211 2.682 0.182 5 0 "[ . 1 .]" 1
299 1 47 ARG H 1 47 ARG QB 2.600 . 3.400 2.938 2.058 3.213 . 0 0 "[ . 1 .]" 1
300 1 47 ARG H 1 47 ARG QD 5.200 . 6.000 4.963 4.405 5.473 . 0 0 "[ . 1 .]" 1
301 1 47 ARG H 1 47 ARG QG 3.600 . 4.700 3.843 3.187 4.237 . 0 0 "[ . 1 .]" 1
302 1 47 ARG H 1 70 ASN HB2 3.700 . 6.000 2.370 1.685 3.814 . 0 0 "[ . 1 .]" 1
303 1 47 ARG HA 1 47 ARG QD 4.600 . 6.000 3.839 3.122 4.048 . 0 0 "[ . 1 .]" 1
304 1 47 ARG HA 1 47 ARG QG 3.000 . 3.500 2.259 1.996 2.533 . 0 0 "[ . 1 .]" 1
305 1 47 ARG HA 1 48 PRO HB2 5.200 . 6.000 5.354 5.208 5.489 . 0 0 "[ . 1 .]" 1
306 1 47 ARG HA 1 48 PRO HD2 3.500 . 5.000 2.838 2.678 3.035 . 0 0 "[ . 1 .]" 1
307 1 47 ARG HA 1 48 PRO HD3 2.300 . 2.900 1.777 1.671 1.875 0.029 12 0 "[ . 1 .]" 1
308 1 47 ARG HA 1 49 LEU H 2.600 . 6.000 3.931 3.351 6.152 0.152 7 0 "[ . 1 .]" 1
309 1 47 ARG HA 1 65 MET QB 3.900 . 5.200 4.666 4.457 4.964 . 0 0 "[ . 1 .]" 1
310 1 47 ARG HA 1 65 MET ME 4.000 . 6.000 5.671 4.235 6.237 0.237 12 0 "[ . 1 .]" 1
311 1 47 ARG HA 1 120 VAL QG 3.700 . 5.400 3.516 3.221 4.012 . 0 0 "[ . 1 .]" 1
312 1 47 ARG QB 1 47 ARG QD 2.800 . 3.800 2.231 1.840 2.560 0.060 11 0 "[ . 1 .]" 1
313 1 47 ARG QB 1 48 PRO HD2 4.400 . 6.000 3.897 3.095 4.336 . 0 0 "[ . 1 .]" 1
314 1 47 ARG QB 1 48 PRO HD3 4.600 . 6.000 3.765 3.506 3.950 . 0 0 "[ . 1 .]" 1
315 1 47 ARG QB 1 61 TYR HH 5.400 . 6.000 4.360 2.803 5.596 . 0 0 "[ . 1 .]" 1
316 1 47 ARG QD 1 47 ARG QG 3.000 . 3.300 2.021 1.925 2.093 . 0 0 "[ . 1 .]" 1
317 1 47 ARG QD 1 49 LEU HA 4.100 . 6.000 3.628 2.447 4.663 . 0 0 "[ . 1 .]" 1
318 1 47 ARG QD 1 49 LEU HB2 3.700 . 6.000 5.295 4.356 6.279 0.279 12 0 "[ . 1 .]" 1
319 1 47 ARG QD 1 65 MET QB 3.500 . 5.000 3.007 1.586 4.369 0.414 12 0 "[ . 1 .]" 1
320 1 47 ARG QD 1 120 VAL QG 2.100 . 6.000 4.055 2.928 4.773 . 0 0 "[ . 1 .]" 1
321 1 47 ARG HE 1 50 ILE MD 3.300 . 6.000 5.984 5.590 6.171 0.171 5 0 "[ . 1 .]" 1
322 1 47 ARG QG 1 48 PRO HG2 3.500 . 5.000 4.533 3.957 4.851 . 0 0 "[ . 1 .]" 1
323 1 47 ARG QG 1 49 LEU H 4.600 . 6.000 2.938 1.504 4.387 . 0 0 "[ . 1 .]" 1
324 1 47 ARG QG 1 50 ILE MG 4.000 . 6.000 5.681 5.067 5.957 . 0 0 "[ . 1 .]" 1
325 1 47 ARG QG 1 61 TYR HH 4.700 . 6.000 2.956 2.111 4.790 . 0 0 "[ . 1 .]" 1
326 1 47 ARG QG 1 65 MET H 4.800 . 6.000 5.041 4.377 5.946 . 0 0 "[ . 1 .]" 1
327 1 47 ARG QG 1 124 MET ME 2.000 . 6.000 6.374 6.085 7.397 1.397 3 1 "[ + . 1 .]" 1
328 1 48 PRO HA 1 48 PRO HB2 2.600 . 3.400 2.807 2.659 2.896 . 0 0 "[ . 1 .]" 1
329 1 48 PRO HA 1 48 PRO HD2 3.900 . 5.800 3.904 3.831 3.985 . 0 0 "[ . 1 .]" 1
330 1 48 PRO HA 1 48 PRO HG2 4.000 . 6.000 4.075 3.916 4.127 . 0 0 "[ . 1 .]" 1
331 1 48 PRO HA 1 49 LEU HB3 3.900 . 5.800 5.172 4.533 5.814 0.014 12 0 "[ . 1 .]" 1
332 1 48 PRO HB2 1 48 PRO HG3 2.300 . 3.000 2.891 2.723 2.972 . 0 0 "[ . 1 .]" 1
333 1 48 PRO HB2 1 49 LEU H 3.800 . 5.600 3.606 1.706 4.239 0.294 7 0 "[ . 1 .]" 1
334 1 48 PRO HB2 1 49 LEU MD2 4.700 . 6.000 5.542 4.602 6.443 0.443 3 0 "[ . 1 .]" 1
335 1 48 PRO HB2 1 50 ILE MD 4.200 . 6.000 3.206 2.639 3.827 . 0 0 "[ . 1 .]" 1
336 1 48 PRO HB2 1 50 ILE MG 5.100 . 6.000 5.408 4.842 6.075 0.075 10 0 "[ . 1 .]" 1
337 1 48 PRO HB2 1 120 VAL QG 4.700 . 6.000 4.324 3.990 4.584 . 0 0 "[ . 1 .]" 1
338 1 48 PRO HB3 1 50 ILE MD 4.100 . 6.000 4.316 3.878 4.832 . 0 0 "[ . 1 .]" 1
339 1 48 PRO HD2 1 48 PRO HG2 2.400 . 3.100 2.287 2.254 2.325 . 0 0 "[ . 1 .]" 1
340 1 48 PRO HD2 1 50 ILE HA 3.700 . 5.500 5.109 4.755 5.569 0.069 10 0 "[ . 1 .]" 1
341 1 48 PRO HD2 1 61 TYR HH 3.600 . 6.000 3.054 1.541 6.036 0.036 1 0 "[ . 1 .]" 1
342 1 48 PRO HD2 1 120 VAL HA 4.000 . 6.000 5.120 4.467 5.908 . 0 0 "[ . 1 .]" 1
343 1 48 PRO HD2 1 120 VAL QG 2.600 . 3.500 2.522 2.065 2.804 . 0 0 "[ . 1 .]" 1
344 1 48 PRO HD2 1 124 MET QG 5.700 . 6.000 4.692 3.990 5.666 . 0 0 "[ . 1 .]" 1
345 1 48 PRO HD3 1 48 PRO HG2 2.700 . 3.600 2.738 2.654 2.884 . 0 0 "[ . 1 .]" 1
346 1 48 PRO HD3 1 120 VAL QG 2.900 . 4.000 2.697 2.418 3.411 . 0 0 "[ . 1 .]" 1
347 1 48 PRO HD3 1 124 MET ME 2.100 . 6.000 4.835 4.305 5.555 . 0 0 "[ . 1 .]" 1
348 1 48 PRO HG2 1 50 ILE MD 2.200 . 2.800 2.182 1.805 2.892 0.092 10 0 "[ . 1 .]" 1
349 1 48 PRO HG2 1 50 ILE QG 3.800 . 5.600 2.923 2.232 3.464 . 0 0 "[ . 1 .]" 1
350 1 48 PRO HG2 1 50 ILE MG 4.600 . 6.000 4.874 4.498 5.281 . 0 0 "[ . 1 .]" 1
351 1 48 PRO HG2 1 120 VAL QG 3.200 . 4.500 2.645 2.204 3.137 . 0 0 "[ . 1 .]" 1
352 1 48 PRO HG2 1 124 MET QG 4.300 . 6.000 3.768 2.708 4.756 . 0 0 "[ . 1 .]" 1
353 1 48 PRO HG3 1 49 LEU H 4.000 . 6.000 4.623 3.562 5.177 . 0 0 "[ . 1 .]" 1
354 1 48 PRO HG3 1 50 ILE MD 3.800 . 5.600 3.657 2.819 4.412 . 0 0 "[ . 1 .]" 1
355 1 48 PRO HG3 1 50 ILE QG 4.900 . 6.000 4.316 3.699 4.829 . 0 0 "[ . 1 .]" 1
356 1 48 PRO HG3 1 120 VAL QG 3.400 . 4.900 3.291 2.484 4.164 . 0 0 "[ . 1 .]" 1
357 1 49 LEU H 1 49 LEU HA 2.700 . 3.600 2.320 2.218 2.910 . 0 0 "[ . 1 .]" 1
358 1 49 LEU H 1 49 LEU HB2 2.800 . 3.800 3.203 2.906 3.960 0.160 13 0 "[ . 1 .]" 1
359 1 49 LEU H 1 49 LEU HB3 2.900 . 4.000 3.719 3.063 4.110 0.110 8 0 "[ . 1 .]" 1
360 1 49 LEU H 1 49 LEU HG 3.600 . 5.200 4.747 2.960 5.303 0.103 10 0 "[ . 1 .]" 1
361 1 49 LEU H 1 50 ILE H 4.000 . 6.000 3.229 2.929 3.725 . 0 0 "[ . 1 .]" 1
362 1 49 LEU H 1 50 ILE QG 3.800 . 5.600 3.455 2.315 3.860 . 0 0 "[ . 1 .]" 1
363 1 49 LEU HA 1 49 LEU HB2 2.700 . 3.600 2.718 2.499 3.003 . 0 0 "[ . 1 .]" 1
364 1 49 LEU HA 1 49 LEU HB3 2.600 . 3.500 2.810 2.240 3.025 . 0 0 "[ . 1 .]" 1
365 1 49 LEU HA 1 49 LEU MD1 3.300 . 4.700 2.593 1.641 3.896 0.259 4 0 "[ . 1 .]" 1
366 1 49 LEU HA 1 49 LEU MD2 2.400 . 3.100 2.185 1.697 3.514 0.414 13 0 "[ . 1 .]" 1
367 1 49 LEU HA 1 50 ILE H 2.100 . 2.600 2.206 2.023 2.365 . 0 0 "[ . 1 .]" 1
368 1 49 LEU HA 1 50 ILE HB 5.000 . 6.000 4.629 4.114 4.941 . 0 0 "[ . 1 .]" 1
369 1 49 LEU HA 1 50 ILE QG 4.900 . 6.000 3.757 3.462 4.100 . 0 0 "[ . 1 .]" 1
370 1 49 LEU HA 1 61 TYR QD 3.700 . 6.000 5.358 4.388 6.140 0.140 10 0 "[ . 1 .]" 1
371 1 49 LEU HA 1 61 TYR HH 2.700 . 3.600 2.920 1.763 3.813 0.213 10 0 "[ . 1 .]" 1
372 1 49 LEU HB2 1 49 LEU HG 2.200 . 2.800 2.423 2.264 2.842 0.042 13 0 "[ . 1 .]" 1
373 1 49 LEU HB2 1 50 ILE H 4.300 . 6.000 4.501 4.090 4.626 . 0 0 "[ . 1 .]" 1
374 1 49 LEU HB3 1 49 LEU MD1 3.100 . 4.300 2.364 2.179 2.929 . 0 0 "[ . 1 .]" 1
375 1 49 LEU HB3 1 50 ILE H 4.000 . 6.000 4.206 3.576 4.424 . 0 0 "[ . 1 .]" 1
376 1 49 LEU MD1 1 50 ILE HB 2.900 . 6.000 5.285 4.811 6.333 0.333 13 0 "[ . 1 .]" 1
377 1 49 LEU MD2 1 49 LEU HG 2.400 . 3.100 2.125 2.105 2.133 . 0 0 "[ . 1 .]" 1
378 1 49 LEU MD2 1 50 ILE QG 3.400 . 6.000 4.888 4.457 5.817 . 0 0 "[ . 1 .]" 1
379 1 49 LEU MD2 1 61 TYR HH 4.200 . 6.000 4.191 1.981 5.284 0.019 14 0 "[ . 1 .]" 1
380 1 49 LEU MD2 1 65 MET ME 1.600 . 6.000 5.921 4.867 6.694 0.694 1 2 "[+ . - 1 .]" 1
381 1 49 LEU HG 1 50 ILE H 5.000 . 6.000 5.471 4.637 5.812 . 0 0 "[ . 1 .]" 1
382 1 50 ILE H 1 50 ILE HA 2.900 . 4.000 2.885 2.764 2.946 . 0 0 "[ . 1 .]" 1
383 1 50 ILE H 1 50 ILE MD 5.100 . 6.000 3.568 3.167 3.887 . 0 0 "[ . 1 .]" 1
384 1 50 ILE H 1 50 ILE QG . . 3.100 2.154 1.663 3.014 0.337 14 0 "[ . 1 .]" 1
385 1 50 ILE H 1 51 HIS HD1 3.800 . 5.600 4.971 4.180 5.760 0.160 5 0 "[ . 1 .]" 1
386 1 50 ILE H 1 51 HIS HE1 4.100 . 6.000 5.673 3.622 6.041 0.041 11 0 "[ . 1 .]" 1
387 1 50 ILE H 1 120 VAL QG 3.700 . 5.400 3.912 3.572 4.545 . 0 0 "[ . 1 .]" 1
388 1 50 ILE HA 1 50 ILE MD 3.000 . 4.100 2.431 1.855 3.648 0.045 1 0 "[ . 1 .]" 1
389 1 50 ILE HA 1 50 ILE QG 3.700 . 4.800 2.813 2.446 3.087 . 0 0 "[ . 1 .]" 1
390 1 50 ILE HA 1 50 ILE MG 2.600 . 3.500 2.346 2.200 2.510 . 0 0 "[ . 1 .]" 1
391 1 50 ILE HA 1 51 HIS H 2.300 . 6.000 3.219 2.190 3.529 . 0 0 "[ . 1 .]" 1
392 1 50 ILE HA 1 52 PHE HZ 5.100 . 6.000 6.098 5.999 6.174 0.174 1 0 "[ . 1 .]" 1
393 1 50 ILE HB 1 50 ILE MD 3.100 . 4.300 3.154 2.642 3.221 . 0 0 "[ . 1 .]" 1
394 1 50 ILE HB 1 50 ILE QG 2.700 . 3.600 2.180 2.161 2.253 . 0 0 "[ . 1 .]" 1
395 1 50 ILE HB 1 50 ILE MG 2.300 . 3.000 2.113 2.093 2.124 . 0 0 "[ . 1 .]" 1
396 1 50 ILE HB 1 51 HIS HE2 4.300 . 6.000 6.110 4.739 6.434 0.434 13 0 "[ . 1 .]" 1
397 1 50 ILE HB 1 120 VAL HB 5.600 . 6.000 5.992 5.566 6.118 0.118 2 0 "[ . 1 .]" 1
398 1 50 ILE MD 1 50 ILE QG 2.200 . 2.800 1.880 1.875 1.886 . 0 0 "[ . 1 .]" 1
399 1 50 ILE MD 1 50 ILE MG 2.400 . 3.100 1.882 1.777 2.024 . 0 0 "[ . 1 .]" 1
400 1 50 ILE MD 1 51 HIS HE2 3.700 . 6.000 5.699 4.992 6.240 0.240 10 0 "[ . 1 .]" 1
401 1 50 ILE MD 1 119 ARG HA 4.300 . 6.000 5.693 5.094 5.978 . 0 0 "[ . 1 .]" 1
402 1 50 ILE MD 1 119 ARG HB3 4.000 . 6.000 6.092 5.504 6.376 0.376 5 0 "[ . 1 .]" 1
403 1 50 ILE MD 1 119 ARG HD3 3.900 . 5.800 3.072 2.313 4.449 . 0 0 "[ . 1 .]" 1
404 1 50 ILE MD 1 120 VAL HA 2.600 . 3.400 2.418 1.846 2.935 . 0 0 "[ . 1 .]" 1
405 1 50 ILE MD 1 120 VAL QG 2.800 . 3.800 2.044 1.667 2.374 0.133 15 0 "[ . 1 .]" 1
406 1 50 ILE MD 1 123 GLN QG 2.700 . 3.600 2.543 2.140 2.777 . 0 0 "[ . 1 .]" 1
407 1 50 ILE QG 1 50 ILE MG 2.800 . 3.800 2.438 2.286 2.562 . 0 0 "[ . 1 .]" 1
408 1 50 ILE QG 1 119 ARG HD2 4.900 . 6.000 4.199 3.180 5.821 . 0 0 "[ . 1 .]" 1
409 1 50 ILE QG 1 120 VAL H 6.000 . 6.000 4.804 4.396 5.726 . 0 0 "[ . 1 .]" 1
410 1 50 ILE QG 1 120 VAL HA 4.000 . 6.000 3.184 2.790 3.675 . 0 0 "[ . 1 .]" 1
411 1 50 ILE QG 1 120 VAL QG 3.100 . 4.300 1.588 1.289 2.240 0.611 4 3 "[- +. 1 * .]" 1
412 1 50 ILE QG 1 123 GLN QG 3.700 . 5.400 4.159 3.800 4.442 . 0 0 "[ . 1 .]" 1
413 1 50 ILE QG 1 124 MET QB 5.400 . 6.000 5.216 4.732 5.374 . 0 0 "[ . 1 .]" 1
414 1 50 ILE MG 1 51 HIS HE2 3.600 . 5.200 4.565 3.809 5.559 0.359 10 0 "[ . 1 .]" 1
415 1 50 ILE MG 1 52 PHE HA 3.500 . 5.000 4.500 4.044 4.864 . 0 0 "[ . 1 .]" 1
416 1 50 ILE MG 1 52 PHE QD 3.300 . 4.700 3.632 3.330 4.172 . 0 0 "[ . 1 .]" 1
417 1 50 ILE MG 1 119 ARG HB3 4.800 . 6.000 5.535 5.192 5.922 . 0 0 "[ . 1 .]" 1
418 1 50 ILE MG 1 119 ARG HD3 3.500 . 5.000 2.631 1.868 3.222 0.132 4 0 "[ . 1 .]" 1
419 1 50 ILE MG 1 120 VAL HA 4.500 . 6.000 3.819 3.394 4.253 . 0 0 "[ . 1 .]" 1
420 1 50 ILE MG 1 123 GLN QG 3.900 . 5.800 4.107 3.360 4.653 . 0 0 "[ . 1 .]" 1
421 1 51 HIS H 1 51 HIS HB2 3.400 . 4.800 3.890 2.893 4.094 . 0 0 "[ . 1 .]" 1
422 1 51 HIS H 1 51 HIS HB3 3.400 . 4.800 3.400 3.080 3.987 . 0 0 "[ . 1 .]" 1
423 1 51 HIS H 1 51 HIS HD1 3.000 . 4.200 3.828 2.653 4.458 0.258 1 0 "[ . 1 .]" 1
424 1 51 HIS H 1 120 VAL QG 5.300 . 6.000 4.972 4.525 5.242 . 0 0 "[ . 1 .]" 1
425 1 51 HIS HA 1 51 HIS HB3 2.700 . 3.600 2.326 2.252 2.433 . 0 0 "[ . 1 .]" 1
426 1 51 HIS HA 1 51 HIS HD2 4.500 . 6.000 4.176 2.614 4.696 . 0 0 "[ . 1 .]" 1
427 1 51 HIS HA 1 52 PHE H 2.800 . 3.800 2.955 2.079 3.603 . 0 0 "[ . 1 .]" 1
428 1 51 HIS HA 1 53 GLY H 4.100 . 6.000 3.508 3.215 3.829 . 0 0 "[ . 1 .]" 1
429 1 51 HIS HB2 1 52 PHE H 3.300 . 4.700 2.861 2.416 3.876 . 0 0 "[ . 1 .]" 1
430 1 51 HIS HB2 1 52 PHE HA 4.700 . 6.000 4.372 4.166 4.635 . 0 0 "[ . 1 .]" 1
431 1 51 HIS HB2 1 54 ASN H 4.700 . 6.000 4.998 4.658 6.101 0.101 5 0 "[ . 1 .]" 1
432 1 51 HIS HB3 1 52 PHE H 3.700 . 5.400 3.577 2.674 3.967 . 0 0 "[ . 1 .]" 1
433 1 51 HIS HB3 1 52 PHE HA 5.600 . 6.000 5.530 4.475 5.996 . 0 0 "[ . 1 .]" 1
434 1 51 HIS HB3 1 53 GLY H 4.000 . 6.000 3.729 2.482 4.212 . 0 0 "[ . 1 .]" 1
435 1 51 HIS HB3 1 54 ASN H 4.300 . 6.000 5.803 4.523 6.235 0.235 11 0 "[ . 1 .]" 1
436 1 51 HIS HD2 1 54 ASN H 2.100 . 6.000 6.087 5.805 6.249 0.249 5 0 "[ . 1 .]" 1
437 1 52 PHE H 1 52 PHE HB2 3.200 . 4.500 3.239 2.589 3.743 . 0 0 "[ . 1 .]" 1
438 1 52 PHE H 1 52 PHE QD 3.200 . 4.500 3.319 2.470 3.782 . 0 0 "[ . 1 .]" 1
439 1 52 PHE H 1 53 GLY H 2.900 . 4.000 2.473 1.752 3.164 0.048 12 0 "[ . 1 .]" 1
440 1 52 PHE H 1 54 ASN H 5.200 . 6.000 4.045 2.775 5.200 . 0 0 "[ . 1 .]" 1
441 1 52 PHE H 1 58 ASP HA 5.200 . 6.000 4.549 3.255 5.608 . 0 0 "[ . 1 .]" 1
442 1 52 PHE H 1 58 ASP HB2 4.600 . 6.000 4.837 3.017 6.095 0.095 7 0 "[ . 1 .]" 1
443 1 52 PHE HA 1 52 PHE HB3 2.800 . 3.800 2.466 2.415 2.575 . 0 0 "[ . 1 .]" 1
444 1 52 PHE HA 1 52 PHE QD 3.100 . 4.300 2.661 2.111 3.127 . 0 0 "[ . 1 .]" 1
445 1 52 PHE HA 1 53 GLY H 3.300 . 4.700 3.351 3.117 3.516 . 0 0 "[ . 1 .]" 1
446 1 52 PHE HB2 1 52 PHE QD 3.100 . 4.300 2.325 2.242 2.477 . 0 0 "[ . 1 .]" 1
447 1 52 PHE HB2 1 54 ASN QB . . 2.800 2.628 2.169 3.127 0.327 11 0 "[ . 1 .]" 1
448 1 52 PHE HB2 1 57 GLU HB2 4.400 . 6.000 3.899 3.327 5.020 . 0 0 "[ . 1 .]" 1
449 1 52 PHE HB2 1 57 GLU HB3 3.500 . 5.000 4.804 4.431 5.159 0.159 13 0 "[ . 1 .]" 1
450 1 52 PHE HB2 1 58 ASP H 2.900 . 4.000 3.726 3.442 4.008 0.008 10 0 "[ . 1 .]" 1
451 1 52 PHE HB2 1 59 ARG H 4.300 . 6.000 5.664 5.183 6.030 0.030 1 0 "[ . 1 .]" 1
452 1 52 PHE HB3 1 52 PHE QD 3.500 . 5.000 2.489 2.334 2.691 . 0 0 "[ . 1 .]" 1
453 1 52 PHE HB3 1 53 GLY H 3.700 . 5.400 4.129 3.782 4.439 . 0 0 "[ . 1 .]" 1
454 1 52 PHE HB3 1 54 ASN QB 3.500 . 4.000 3.170 2.067 3.890 . 0 0 "[ . 1 .]" 1
455 1 52 PHE HB3 1 57 GLU HB2 4.300 . 6.000 3.968 3.199 5.426 . 0 0 "[ . 1 .]" 1
456 1 52 PHE HB3 1 57 GLU HB3 3.700 . 5.500 4.787 4.152 5.670 0.170 13 0 "[ . 1 .]" 1
457 1 52 PHE HB3 1 58 ASP HB2 5.200 . 6.000 4.480 3.585 5.129 . 0 0 "[ . 1 .]" 1
458 1 52 PHE QD 1 58 ASP HA 2.800 . 3.800 2.037 1.677 3.211 0.123 2 0 "[ . 1 .]" 1
459 1 52 PHE HZ 1 61 TYR H 4.700 . 6.000 5.801 5.177 6.044 0.044 15 0 "[ . 1 .]" 1
460 1 53 GLY H 1 53 GLY HA2 2.600 . 3.400 2.302 2.288 2.319 . 0 0 "[ . 1 .]" 1
461 1 53 GLY H 1 53 GLY HA3 3.000 . 4.100 2.846 2.806 2.886 . 0 0 "[ . 1 .]" 1
462 1 53 GLY H 1 54 ASN H 2.400 . 3.100 2.473 2.360 2.592 . 0 0 "[ . 1 .]" 1
463 1 53 GLY H 1 54 ASN HA 6.000 . 6.000 5.117 5.004 5.210 . 0 0 "[ . 1 .]" 1
464 1 53 GLY H 1 54 ASN QB 4.900 . 6.000 4.361 4.026 4.584 . 0 0 "[ . 1 .]" 1
465 1 53 GLY HA2 1 54 ASN H 3.100 . 4.300 2.905 2.769 3.167 . 0 0 "[ . 1 .]" 1
466 1 53 GLY HA3 1 54 ASN H 3.400 . 4.900 3.453 3.334 3.541 . 0 0 "[ . 1 .]" 1
467 1 54 ASN H 1 54 ASN HA 2.800 . 3.800 2.945 2.919 2.962 . 0 0 "[ . 1 .]" 1
468 1 54 ASN H 1 54 ASN QB 3.100 . 3.300 2.470 2.290 2.695 . 0 0 "[ . 1 .]" 1
469 1 54 ASN H 1 54 ASN HD21 3.900 . 5.800 4.037 3.373 4.781 . 0 0 "[ . 1 .]" 1
470 1 54 ASN H 1 55 ASP H 3.500 . 5.000 4.451 4.387 4.527 . 0 0 "[ . 1 .]" 1
471 1 54 ASN H 1 57 GLU HB2 6.000 . 6.000 5.262 4.782 6.764 0.764 13 1 "[ . 1 + .]" 1
472 1 54 ASN H 1 58 ASP H 5.300 . 6.000 3.954 3.605 4.534 . 0 0 "[ . 1 .]" 1
473 1 54 ASN HA 1 54 ASN QB 2.500 . 3.300 2.421 2.360 2.538 . 0 0 "[ . 1 .]" 1
474 1 54 ASN HA 1 55 ASP H 2.300 . 3.000 2.482 2.285 2.581 . 0 0 "[ . 1 .]" 1
475 1 54 ASN HA 1 55 ASP QB 4.200 . 5.600 4.335 4.048 4.638 . 0 0 "[ . 1 .]" 1
476 1 54 ASN QB 1 55 ASP H 2.700 . 3.600 2.406 1.938 2.984 . 0 0 "[ . 1 .]" 1
477 1 54 ASN QB 1 55 ASP HA 4.000 . 6.000 4.124 3.838 4.457 . 0 0 "[ . 1 .]" 1
478 1 54 ASN QB 1 57 GLU H 3.200 . 4.500 2.777 2.368 3.256 . 0 0 "[ . 1 .]" 1
479 1 54 ASN QB 1 57 GLU HB2 4.800 . 6.000 2.677 2.214 4.277 . 0 0 "[ . 1 .]" 1
480 1 54 ASN QB 1 59 ARG HB3 5.700 . 6.000 5.666 4.689 6.635 0.635 13 1 "[ . 1 + .]" 1
481 1 55 ASP H 1 55 ASP HA 2.900 . 3.900 2.932 2.921 2.945 . 0 0 "[ . 1 .]" 1
482 1 55 ASP H 1 55 ASP QB 2.400 . 3.100 2.364 2.297 2.429 . 0 0 "[ . 1 .]" 1
483 1 55 ASP H 1 56 TYR H 2.900 . 3.900 2.378 2.101 2.505 . 0 0 "[ . 1 .]" 1
484 1 55 ASP H 1 57 GLU H 4.400 . 6.000 3.629 3.309 3.925 . 0 0 "[ . 1 .]" 1
485 1 55 ASP H 1 58 ASP HA 4.800 . 6.000 6.110 6.032 6.204 0.204 2 0 "[ . 1 .]" 1
486 1 55 ASP HA 1 55 ASP QB 2.700 . 3.600 2.393 2.329 2.435 . 0 0 "[ . 1 .]" 1
487 1 55 ASP HA 1 56 TYR H 6.000 . 6.000 3.549 3.500 3.578 . 0 0 "[ . 1 .]" 1
488 1 55 ASP HA 1 58 ASP H 4.400 . 6.000 4.554 4.195 4.817 . 0 0 "[ . 1 .]" 1
489 1 55 ASP HA 1 58 ASP HB2 3.300 . 4.600 4.140 3.631 4.674 0.074 14 0 "[ . 1 .]" 1
490 1 55 ASP HA 1 58 ASP HB3 2.900 . 3.900 3.361 3.033 3.622 . 0 0 "[ . 1 .]" 1
491 1 55 ASP HA 1 59 ARG HA 3.900 . 6.000 6.052 5.826 6.189 0.189 7 0 "[ . 1 .]" 1
492 1 55 ASP QB 1 56 TYR H 2.500 . 3.300 2.141 2.000 2.392 . 0 0 "[ . 1 .]" 1
493 1 55 ASP QB 1 57 GLU QG 5.300 . 6.000 5.489 5.084 5.618 . 0 0 "[ . 1 .]" 1
494 1 55 ASP QB 1 58 ASP HB3 3.800 . 5.600 4.986 4.820 5.140 . 0 0 "[ . 1 .]" 1
495 1 56 TYR H 1 56 TYR HA 3.000 . 4.100 2.887 2.833 2.931 . 0 0 "[ . 1 .]" 1
496 1 56 TYR H 1 56 TYR HB2 2.400 . 3.100 2.559 2.292 3.460 0.360 13 0 "[ . 1 .]" 1
497 1 56 TYR H 1 56 TYR HB3 2.700 . 3.600 2.725 2.244 3.183 . 0 0 "[ . 1 .]" 1
498 1 56 TYR H 1 56 TYR QD 5.000 . 6.000 4.053 2.638 4.251 . 0 0 "[ . 1 .]" 1
499 1 56 TYR H 1 59 ARG H 4.600 . 6.000 4.463 4.052 4.781 . 0 0 "[ . 1 .]" 1
500 1 56 TYR HA 1 56 TYR HB2 2.900 . 4.000 2.575 2.425 2.722 . 0 0 "[ . 1 .]" 1
501 1 56 TYR HA 1 56 TYR HB3 3.000 . 4.200 2.953 2.246 3.043 . 0 0 "[ . 1 .]" 1
502 1 56 TYR HA 1 56 TYR QD 3.000 . 4.100 2.562 1.892 3.564 0.008 8 0 "[ . 1 .]" 1
503 1 56 TYR HA 1 57 GLU H 3.800 . 5.600 3.565 3.473 3.606 . 0 0 "[ . 1 .]" 1
504 1 56 TYR HA 1 59 ARG H 3.800 . 5.600 3.651 2.954 4.332 . 0 0 "[ . 1 .]" 1
505 1 56 TYR HA 1 59 ARG HB3 3.000 . 4.100 2.710 1.849 3.606 0.051 14 0 "[ . 1 .]" 1
506 1 56 TYR HA 1 59 ARG QD 3.500 . 4.300 3.957 3.344 5.041 0.741 9 1 "[ . +1 .]" 1
507 1 56 TYR HB2 1 56 TYR QD 3.500 . 5.000 2.535 2.285 2.754 . 0 0 "[ . 1 .]" 1
508 1 56 TYR HB2 1 57 GLU H 3.900 . 5.800 3.715 3.445 4.197 . 0 0 "[ . 1 .]" 1
509 1 56 TYR HB3 1 57 GLU H 3.000 . 4.100 2.701 2.080 4.385 0.285 13 0 "[ . 1 .]" 1
510 1 56 TYR QD 1 57 GLU H 4.400 . 6.000 3.913 2.813 4.448 . 0 0 "[ . 1 .]" 1
511 1 56 TYR QD 1 57 GLU HA 4.100 . 6.000 4.130 2.879 4.775 . 0 0 "[ . 1 .]" 1
512 1 56 TYR QD 1 57 GLU QG 5.300 . 6.000 3.672 2.161 4.787 . 0 0 "[ . 1 .]" 1
513 1 56 TYR QE 1 57 GLU HA 4.400 . 6.000 5.604 4.150 6.132 0.132 11 0 "[ . 1 .]" 1
514 1 56 TYR QE 1 59 ARG HE 4.400 . 6.000 6.049 5.375 7.881 1.881 13 1 "[ . 1 + .]" 1
515 1 57 GLU H 1 57 GLU HA 3.000 . 4.200 2.874 2.841 2.953 . 0 0 "[ . 1 .]" 1
516 1 57 GLU H 1 57 GLU HB2 3.400 . 4.900 2.710 2.575 3.612 . 0 0 "[ . 1 .]" 1
517 1 57 GLU H 1 57 GLU HB3 3.100 . 4.300 3.532 2.347 3.652 . 0 0 "[ . 1 .]" 1
518 1 57 GLU H 1 57 GLU QG 2.700 . 3.600 2.126 1.875 2.689 0.025 2 0 "[ . 1 .]" 1
519 1 57 GLU H 1 58 ASP H 2.700 . 3.600 2.477 2.244 2.658 . 0 0 "[ . 1 .]" 1
520 1 57 GLU H 1 58 ASP HB2 4.800 . 6.000 4.607 4.360 4.919 . 0 0 "[ . 1 .]" 1
521 1 57 GLU H 1 59 ARG H 2.900 . 6.000 4.102 3.310 4.658 . 0 0 "[ . 1 .]" 1
522 1 57 GLU H 1 60 TYR H 3.800 . 5.600 4.327 4.070 4.526 . 0 0 "[ . 1 .]" 1
523 1 57 GLU H 1 60 TYR QB 4.800 . 6.000 4.418 3.828 5.476 . 0 0 "[ . 1 .]" 1
524 1 57 GLU HA 1 57 GLU HB2 2.600 . 3.400 2.958 2.276 3.031 . 0 0 "[ . 1 .]" 1
525 1 57 GLU HA 1 57 GLU QG 3.500 . 3.800 2.579 2.459 3.252 . 0 0 "[ . 1 .]" 1
526 1 57 GLU HA 1 58 ASP H 4.300 . 6.000 3.506 3.467 3.568 . 0 0 "[ . 1 .]" 1
527 1 57 GLU HA 1 60 TYR H 3.800 . 5.600 3.135 2.635 3.353 . 0 0 "[ . 1 .]" 1
528 1 57 GLU HA 1 60 TYR QB . . 3.600 2.203 1.683 3.486 0.317 1 0 "[ . 1 .]" 1
529 1 57 GLU HA 1 60 TYR QD 3.400 . 4.900 2.916 1.872 4.333 0.028 5 0 "[ . 1 .]" 1
530 1 57 GLU HA 1 61 TYR H 3.400 . 4.800 3.614 3.263 4.082 . 0 0 "[ . 1 .]" 1
531 1 57 GLU HA 1 112 THR MG 3.500 . 5.100 3.054 2.118 5.114 0.014 14 0 "[ . 1 .]" 1
532 1 57 GLU HA 1 116 ILE MD 4.300 . 6.000 4.210 3.951 4.320 . 0 0 "[ . 1 .]" 1
533 1 57 GLU HA 1 116 ILE QG 5.300 . 6.000 5.774 5.468 5.927 . 0 0 "[ . 1 .]" 1
534 1 57 GLU HB2 1 58 ASP H 3.800 . 5.600 2.712 2.413 4.078 . 0 0 "[ . 1 .]" 1
535 1 57 GLU HB2 1 60 TYR H 3.600 . 5.200 5.252 5.082 5.355 0.155 9 0 "[ . 1 .]" 1
536 1 57 GLU HB2 1 61 TYR H 3.000 . 6.000 5.261 4.945 5.560 . 0 0 "[ . 1 .]" 1
537 1 57 GLU HB2 1 116 ILE MD 4.400 . 6.000 6.025 4.832 6.291 0.291 15 0 "[ . 1 .]" 1
538 1 57 GLU HB3 1 57 GLU QG 3.100 . 4.300 2.336 2.128 2.413 . 0 0 "[ . 1 .]" 1
539 1 57 GLU HB3 1 58 ASP H 3.400 . 4.900 3.794 3.557 3.994 . 0 0 "[ . 1 .]" 1
540 1 57 GLU HB3 1 116 ILE MD 2.200 . 6.000 4.926 4.762 6.107 0.107 13 0 "[ . 1 .]" 1
541 1 57 GLU QG 1 60 TYR QB 6.000 . 6.000 4.128 3.801 4.785 . 0 0 "[ . 1 .]" 1
542 1 57 GLU QG 1 112 THR MG 4.600 . 5.200 2.397 1.859 3.883 0.141 3 0 "[ . 1 .]" 1
543 1 57 GLU QG 1 116 ILE MD 4.800 . 6.000 5.345 4.937 5.695 . 0 0 "[ . 1 .]" 1
544 1 58 ASP H 1 58 ASP HA 2.800 . 3.800 2.788 2.744 2.846 . 0 0 "[ . 1 .]" 1
545 1 58 ASP H 1 58 ASP HB2 2.700 . 3.600 2.362 2.135 2.474 . 0 0 "[ . 1 .]" 1
546 1 58 ASP HA 1 58 ASP HB2 3.000 . 4.200 2.539 2.490 2.656 . 0 0 "[ . 1 .]" 1
547 1 58 ASP HA 1 59 ARG H 4.000 . 6.000 3.478 3.399 3.517 . 0 0 "[ . 1 .]" 1
548 1 58 ASP HA 1 61 TYR HB2 4.400 . 6.000 4.296 3.746 5.145 . 0 0 "[ . 1 .]" 1
549 1 58 ASP HA 1 61 TYR HB3 2.700 . 3.600 2.959 2.644 3.498 . 0 0 "[ . 1 .]" 1
550 1 58 ASP HB2 1 59 ARG H 2.600 . 3.500 3.394 3.097 3.671 0.171 10 0 "[ . 1 .]" 1
551 1 58 ASP HB3 1 59 ARG H 6.000 . 6.000 2.036 1.683 2.550 . 0 0 "[ . 1 .]" 1
552 1 58 ASP HB3 1 59 ARG QD 5.100 . 6.000 5.642 4.235 5.894 . 0 0 "[ . 1 .]" 1
553 1 58 ASP HB3 1 61 TYR H 3.900 . 5.800 5.730 5.527 5.958 0.158 2 0 "[ . 1 .]" 1
554 1 59 ARG H 1 59 ARG HA 2.700 . 3.600 2.786 2.735 2.870 . 0 0 "[ . 1 .]" 1
555 1 59 ARG H 1 59 ARG HB3 2.200 . 2.800 2.399 2.089 2.942 0.142 13 0 "[ . 1 .]" 1
556 1 59 ARG H 1 59 ARG QG 4.500 . 6.000 3.955 3.847 4.014 . 0 0 "[ . 1 .]" 1
557 1 59 ARG H 1 60 TYR H 2.700 . 3.600 2.718 2.438 2.842 . 0 0 "[ . 1 .]" 1
558 1 59 ARG H 1 62 ARG HD2 4.900 . 6.000 5.416 5.062 6.046 0.046 5 0 "[ . 1 .]" 1
559 1 59 ARG H 1 62 ARG HG2 3.700 . 5.400 4.772 4.355 5.201 . 0 0 "[ . 1 .]" 1
560 1 59 ARG HA 1 59 ARG HB3 2.500 . 3.300 2.991 2.938 3.016 . 0 0 "[ . 1 .]" 1
561 1 59 ARG HA 1 59 ARG QD 3.200 . 4.500 3.045 1.248 3.839 0.652 13 1 "[ . 1 + .]" 1
562 1 59 ARG HA 1 59 ARG QG 3.600 . 3.800 2.565 2.377 3.000 . 0 0 "[ . 1 .]" 1
563 1 59 ARG HA 1 60 TYR H 3.900 . 5.800 3.560 3.472 3.636 . 0 0 "[ . 1 .]" 1
564 1 59 ARG HA 1 60 TYR HA 4.100 . 6.000 4.815 4.563 4.983 . 0 0 "[ . 1 .]" 1
565 1 59 ARG HA 1 62 ARG H 3.600 . 5.200 2.908 2.342 3.170 . 0 0 "[ . 1 .]" 1
566 1 59 ARG HA 1 62 ARG HB3 2.100 . 2.600 2.242 1.584 2.874 0.274 14 0 "[ . 1 .]" 1
567 1 59 ARG HA 1 62 ARG HD3 3.800 . 5.600 3.633 2.991 4.495 . 0 0 "[ . 1 .]" 1
568 1 59 ARG HA 1 62 ARG HG3 2.700 . 6.000 3.754 3.407 4.191 . 0 0 "[ . 1 .]" 1
569 1 59 ARG HA 1 63 GLU QB 3.200 . 6.000 5.118 4.671 5.342 . 0 0 "[ . 1 .]" 1
570 1 59 ARG HB3 1 59 ARG QD 2.400 . 3.100 2.483 2.135 3.429 0.329 14 0 "[ . 1 .]" 1
571 1 59 ARG HB3 1 59 ARG QG 2.400 . 3.100 2.387 2.161 2.474 . 0 0 "[ . 1 .]" 1
572 1 59 ARG HB3 1 60 TYR H 2.600 . 3.400 2.531 2.017 3.056 . 0 0 "[ . 1 .]" 1
573 1 59 ARG HB3 1 60 TYR QB 4.600 . 6.000 4.355 4.014 5.008 . 0 0 "[ . 1 .]" 1
574 1 59 ARG HB3 1 62 ARG HG3 4.300 . 6.000 5.923 5.606 6.174 0.174 6 0 "[ . 1 .]" 1
575 1 59 ARG HB3 1 63 GLU QG 3.600 . 5.300 4.530 3.583 4.807 . 0 0 "[ . 1 .]" 1
576 1 59 ARG QD 1 60 TYR H 4.000 . 6.000 3.117 2.624 4.361 . 0 0 "[ . 1 .]" 1
577 1 59 ARG QD 1 60 TYR HA 4.500 . 6.000 2.962 2.161 5.356 . 0 0 "[ . 1 .]" 1
578 1 59 ARG QD 1 60 TYR QB 4.500 . 6.000 4.160 3.251 5.701 . 0 0 "[ . 1 .]" 1
579 1 59 ARG QD 1 62 ARG HA 4.300 . 6.000 5.990 5.333 6.704 0.704 10 1 "[ . + .]" 1
580 1 59 ARG QD 1 63 GLU QB 3.400 . 4.800 3.368 2.949 4.349 . 0 0 "[ . 1 .]" 1
581 1 59 ARG HE 1 62 ARG HB3 5.700 . 6.000 5.982 5.450 6.113 0.113 6 0 "[ . 1 .]" 1
582 1 59 ARG HE 1 62 ARG HD2 3.900 . 6.000 5.198 4.196 6.180 0.180 4 0 "[ . 1 .]" 1
583 1 59 ARG QG 1 60 TYR H 4.200 . 6.000 4.009 2.936 4.284 . 0 0 "[ . 1 .]" 1
584 1 59 ARG QG 1 63 GLU HA 4.400 . 6.000 5.713 5.120 5.908 . 0 0 "[ . 1 .]" 1
585 1 59 ARG QG 1 63 GLU QG 4.000 . 6.000 3.359 2.616 4.017 . 0 0 "[ . 1 .]" 1
586 1 60 TYR H 1 60 TYR HA 2.900 . 4.000 2.756 2.639 2.797 . 0 0 "[ . 1 .]" 1
587 1 60 TYR H 1 60 TYR QB 3.400 . 4.900 2.234 2.038 2.663 . 0 0 "[ . 1 .]" 1
588 1 60 TYR H 1 60 TYR QD 3.700 . 5.400 3.514 3.113 4.035 . 0 0 "[ . 1 .]" 1
589 1 60 TYR H 1 61 TYR H 3.200 . 4.500 2.981 2.823 3.235 . 0 0 "[ . 1 .]" 1
590 1 60 TYR H 1 63 GLU QB 5.000 . 6.000 5.733 5.064 5.984 . 0 0 "[ . 1 .]" 1
591 1 60 TYR HA 1 60 TYR QB 3.600 . 4.100 2.463 2.142 2.541 . 0 0 "[ . 1 .]" 1
592 1 60 TYR HA 1 60 TYR QD 2.900 . 6.000 2.223 1.686 3.710 . 0 0 "[ . 1 .]" 1
593 1 60 TYR HA 1 61 TYR H 3.900 . 5.800 3.559 3.523 3.596 . 0 0 "[ . 1 .]" 1
594 1 60 TYR HA 1 62 ARG HB3 4.700 . 6.000 5.795 5.318 6.073 0.073 5 0 "[ . 1 .]" 1
595 1 60 TYR HA 1 62 ARG HG2 4.100 . 6.000 4.654 4.389 5.069 . 0 0 "[ . 1 .]" 1
596 1 60 TYR HA 1 63 GLU H 4.200 . 6.000 3.534 3.159 3.850 . 0 0 "[ . 1 .]" 1
597 1 60 TYR HA 1 63 GLU QB 4.300 . 6.000 4.020 2.875 4.706 . 0 0 "[ . 1 .]" 1
598 1 60 TYR HA 1 63 GLU QG 3.500 . 5.000 2.318 1.804 3.481 0.196 15 0 "[ . 1 .]" 1
599 1 60 TYR HA 1 64 ASN HD21 5.200 . 6.000 6.042 5.052 6.200 0.200 10 0 "[ . 1 .]" 1
600 1 60 TYR HA 1 116 ILE MD 4.000 . 6.000 3.899 3.590 4.211 . 0 0 "[ . 1 .]" 1
601 1 60 TYR QB 1 60 TYR QD 3.700 . 4.900 2.235 2.134 2.315 . 0 0 "[ . 1 .]" 1
602 1 60 TYR QB 1 61 TYR H 3.200 . 4.500 2.461 2.019 3.642 . 0 0 "[ . 1 .]" 1
603 1 60 TYR QB 1 116 ILE MD . . 3.900 2.091 1.693 2.819 0.207 7 0 "[ . 1 .]" 1
604 1 60 TYR QD 1 61 TYR H 3.800 . 5.600 3.951 1.887 4.455 0.113 15 0 "[ . 1 .]" 1
605 1 60 TYR QD 1 116 ILE MD 2.700 . 3.600 2.866 1.719 3.626 0.081 14 0 "[ . 1 .]" 1
606 1 60 TYR QD 1 116 ILE QG 4.400 . 6.000 4.515 3.510 5.341 . 0 0 "[ . 1 .]" 1
607 1 60 TYR QE 1 112 THR MG 3.300 . 4.700 3.676 2.772 4.875 0.175 6 0 "[ . 1 .]" 1
608 1 60 TYR QE 1 113 ASP HA 3.900 . 5.800 4.549 3.657 5.456 . 0 0 "[ . 1 .]" 1
609 1 61 TYR H 1 61 TYR HA 2.900 . 3.900 2.711 2.649 2.761 . 0 0 "[ . 1 .]" 1
610 1 61 TYR H 1 61 TYR HB3 2.200 . 2.800 2.256 1.996 2.459 . 0 0 "[ . 1 .]" 1
611 1 61 TYR H 1 62 ARG H 3.200 . 4.400 3.051 2.848 3.257 . 0 0 "[ . 1 .]" 1
612 1 61 TYR H 1 63 GLU QG 4.400 . 6.000 4.600 4.299 5.569 . 0 0 "[ . 1 .]" 1
613 1 61 TYR H 1 116 ILE H 4.300 . 6.000 6.258 6.146 6.445 0.445 15 0 "[ . 1 .]" 1
614 1 61 TYR H 1 116 ILE MD 3.300 . 4.600 3.091 2.734 3.436 . 0 0 "[ . 1 .]" 1
615 1 61 TYR H 1 116 ILE QG 5.000 . 6.000 4.809 4.583 4.966 . 0 0 "[ . 1 .]" 1
616 1 61 TYR H 1 116 ILE MG 6.000 . 6.000 2.540 2.351 2.874 . 0 0 "[ . 1 .]" 1
617 1 61 TYR HA 1 61 TYR HB2 2.600 . 3.500 2.294 2.204 2.344 . 0 0 "[ . 1 .]" 1
618 1 61 TYR HA 1 61 TYR HB3 2.700 . 6.000 2.958 2.848 3.000 . 0 0 "[ . 1 .]" 1
619 1 61 TYR HA 1 62 ARG H 2.600 . 3.500 3.578 3.550 3.611 0.111 14 0 "[ . 1 .]" 1
620 1 61 TYR HA 1 64 ASN H 4.400 . 6.000 3.306 3.095 3.515 . 0 0 "[ . 1 .]" 1
621 1 61 TYR HA 1 116 ILE HB 2.600 . 3.500 2.484 2.238 2.665 . 0 0 "[ . 1 .]" 1
622 1 61 TYR HB2 1 116 ILE HB 3.500 . 5.000 2.649 2.012 3.228 . 0 0 "[ . 1 .]" 1
623 1 61 TYR HB3 1 64 ASN H 4.900 . 6.000 5.305 5.171 5.534 . 0 0 "[ . 1 .]" 1
624 1 61 TYR HB3 1 116 ILE MG 3.300 . 4.700 3.147 2.337 3.727 . 0 0 "[ . 1 .]" 1
625 1 61 TYR QD 1 64 ASN HA 4.700 . 6.000 6.122 6.008 6.332 0.332 12 0 "[ . 1 .]" 1
626 1 61 TYR QD 1 65 MET QB 4.300 . 6.000 4.276 3.203 5.061 . 0 0 "[ . 1 .]" 1
627 1 61 TYR QD 1 116 ILE HA 4.100 . 6.000 4.701 4.269 5.333 . 0 0 "[ . 1 .]" 1
628 1 61 TYR QD 1 116 ILE QG 5.200 . 6.000 5.060 4.423 5.702 . 0 0 "[ . 1 .]" 1
629 1 61 TYR QD 1 120 VAL QG 4.200 . 6.000 1.996 1.763 2.407 . 0 0 "[ . 1 .]" 1
630 1 61 TYR QE 1 62 ARG HA 2.900 . 6.000 4.155 3.518 4.593 . 0 0 "[ . 1 .]" 1
631 1 62 ARG H 1 62 ARG HA 2.800 . 3.800 2.795 2.760 2.844 . 0 0 "[ . 1 .]" 1
632 1 62 ARG H 1 62 ARG HB3 2.000 . 2.500 2.229 2.115 2.391 . 0 0 "[ . 1 .]" 1
633 1 62 ARG H 1 62 ARG HD2 3.800 . 5.600 4.656 4.418 4.828 . 0 0 "[ . 1 .]" 1
634 1 62 ARG H 1 62 ARG HD3 4.300 . 6.000 5.291 5.013 5.482 . 0 0 "[ . 1 .]" 1
635 1 62 ARG H 1 62 ARG HE 4.700 . 6.000 5.460 5.061 5.768 . 0 0 "[ . 1 .]" 1
636 1 62 ARG H 1 63 GLU H 2.700 . 3.600 2.686 2.566 2.834 . 0 0 "[ . 1 .]" 1
637 1 62 ARG H 1 63 GLU QB 3.300 . 6.000 4.939 4.418 5.097 . 0 0 "[ . 1 .]" 1
638 1 62 ARG H 1 63 GLU QG 4.400 . 6.000 3.890 3.687 4.138 . 0 0 "[ . 1 .]" 1
639 1 62 ARG HA 1 62 ARG HB2 2.900 . 4.000 2.270 2.229 2.335 . 0 0 "[ . 1 .]" 1
640 1 62 ARG HA 1 62 ARG HB3 2.600 . 3.400 2.667 2.570 2.734 . 0 0 "[ . 1 .]" 1
641 1 62 ARG HA 1 62 ARG HD3 4.700 . 6.000 5.386 5.263 5.479 . 0 0 "[ . 1 .]" 1
642 1 62 ARG HA 1 62 ARG HG2 3.400 . 4.800 3.932 3.874 3.983 . 0 0 "[ . 1 .]" 1
643 1 62 ARG HA 1 62 ARG HG3 3.100 . 4.300 3.443 3.348 3.553 . 0 0 "[ . 1 .]" 1
644 1 62 ARG HA 1 63 GLU HA 3.800 . 5.600 4.614 4.548 4.683 . 0 0 "[ . 1 .]" 1
645 1 62 ARG HA 1 64 ASN H 4.400 . 6.000 4.238 4.008 4.653 . 0 0 "[ . 1 .]" 1
646 1 62 ARG HA 1 65 MET QB 2.600 . 3.500 3.520 3.015 4.128 0.628 14 1 "[ . 1 +.]" 1
647 1 62 ARG HA 1 65 MET ME 2.800 . 3.800 3.266 1.763 3.971 0.171 14 0 "[ . 1 .]" 1
648 1 62 ARG HA 1 65 MET HG3 4.300 . 6.000 5.571 4.723 6.098 0.098 3 0 "[ . 1 .]" 1
649 1 62 ARG HB2 1 64 ASN H 5.300 . 6.000 5.662 5.474 6.021 0.021 2 0 "[ . 1 .]" 1
650 1 62 ARG HB3 1 63 GLU H 2.500 . 6.000 3.726 3.584 3.924 . 0 0 "[ . 1 .]" 1
651 1 62 ARG HD2 1 65 MET ME 1.900 . 6.000 5.980 5.406 6.267 0.267 1 0 "[ . 1 .]" 1
652 1 62 ARG HD3 1 62 ARG HE 2.500 . 3.300 2.751 2.526 2.948 . 0 0 "[ . 1 .]" 1
653 1 62 ARG HD3 1 62 ARG HG2 2.300 . 3.000 2.383 2.292 2.496 . 0 0 "[ . 1 .]" 1
654 1 62 ARG HD3 1 62 ARG HG3 2.600 . 3.400 2.509 2.400 2.627 . 0 0 "[ . 1 .]" 1
655 1 62 ARG HE 1 62 ARG HG2 2.900 . 4.000 3.589 3.536 3.671 . 0 0 "[ . 1 .]" 1
656 1 62 ARG HE 1 65 MET QB 4.100 . 6.000 5.733 5.430 5.890 . 0 0 "[ . 1 .]" 1
657 1 62 ARG HG2 1 63 GLU H 2.200 . 2.800 2.918 2.815 3.017 0.217 13 0 "[ . 1 .]" 1
658 1 62 ARG HG3 1 63 GLU QB 2.500 . 3.300 2.976 2.593 3.371 0.071 12 0 "[ . 1 .]" 1
659 1 62 ARG HG3 1 65 MET H 2.000 . 6.000 5.207 4.942 5.397 . 0 0 "[ . 1 .]" 1
660 1 62 ARG HG3 1 65 MET ME 1.300 . 6.000 4.195 3.867 4.489 . 0 0 "[ . 1 .]" 1
661 1 63 GLU H 1 63 GLU HA 2.800 . 3.800 2.914 2.901 2.928 . 0 0 "[ . 1 .]" 1
662 1 63 GLU H 1 63 GLU QB 3.500 . 5.000 2.771 2.262 2.941 . 0 0 "[ . 1 .]" 1
663 1 63 GLU H 1 63 GLU QG 3.000 . 3.500 2.141 2.004 2.571 . 0 0 "[ . 1 .]" 1
664 1 63 GLU H 1 64 ASN H 2.300 . 3.000 1.873 1.713 2.018 . 0 0 "[ . 1 .]" 1
665 1 63 GLU H 1 64 ASN HB2 5.400 . 6.000 4.997 4.685 5.416 . 0 0 "[ . 1 .]" 1
666 1 63 GLU H 1 65 MET H 3.600 . 5.200 3.606 3.404 3.865 . 0 0 "[ . 1 .]" 1
667 1 63 GLU H 1 65 MET HA 4.900 . 6.000 6.366 6.221 6.631 0.631 14 1 "[ . 1 +.]" 1
668 1 63 GLU H 1 65 MET QB 3.000 . 6.000 4.541 4.351 4.755 . 0 0 "[ . 1 .]" 1
669 1 63 GLU H 1 67 ARG H 3.700 . 6.000 6.111 5.781 6.266 0.266 13 0 "[ . 1 .]" 1
670 1 63 GLU H 1 67 ARG QD 6.000 . 6.000 4.878 4.479 5.532 . 0 0 "[ . 1 .]" 1
671 1 63 GLU HA 1 63 GLU QB 2.300 . 3.000 2.205 2.168 2.366 . 0 0 "[ . 1 .]" 1
672 1 63 GLU HA 1 63 GLU QG 3.200 . 4.500 3.199 2.388 3.354 . 0 0 "[ . 1 .]" 1
673 1 63 GLU HA 1 64 ASN H 3.900 . 5.800 3.374 3.294 3.458 . 0 0 "[ . 1 .]" 1
674 1 63 GLU HA 1 67 ARG HB3 3.400 . 6.000 6.075 5.505 6.271 0.271 10 0 "[ . 1 .]" 1
675 1 63 GLU HA 1 67 ARG QD 4.000 . 6.000 4.739 4.273 5.818 . 0 0 "[ . 1 .]" 1
676 1 63 GLU HA 1 67 ARG QG 5.000 . 6.000 4.473 4.101 5.694 . 0 0 "[ . 1 .]" 1
677 1 63 GLU QB 1 63 GLU QG 3.000 . 3.300 2.036 1.964 2.066 . 0 0 "[ . 1 .]" 1
678 1 63 GLU QB 1 64 ASN H 5.800 . 6.000 3.445 2.682 3.806 . 0 0 "[ . 1 .]" 1
679 1 63 GLU QB 1 64 ASN HA 3.500 . 6.000 4.411 3.780 4.720 . 0 0 "[ . 1 .]" 1
680 1 63 GLU QB 1 65 MET H 4.800 . 6.000 4.602 4.223 4.964 . 0 0 "[ . 1 .]" 1
681 1 63 GLU QG 1 64 ASN HA 3.100 . 6.000 3.841 3.321 5.581 . 0 0 "[ . 1 .]" 1
682 1 63 GLU QG 1 64 ASN HB3 2.000 . 6.000 3.826 3.353 5.462 . 0 0 "[ . 1 .]" 1
683 1 63 GLU QG 1 65 MET QB 3.800 . 6.000 5.470 5.284 5.611 . 0 0 "[ . 1 .]" 1
684 1 63 GLU QG 1 65 MET ME 3.800 . 6.000 4.985 4.539 5.334 . 0 0 "[ . 1 .]" 1
685 1 63 GLU QG 1 66 TYR HB2 4.700 . 6.000 5.751 4.878 6.837 0.837 1 1 "[+ . 1 .]" 1
686 1 63 GLU QG 1 67 ARG QD 5.200 . 6.000 3.273 2.333 4.780 . 0 0 "[ . 1 .]" 1
687 1 63 GLU QG 1 67 ARG QG 4.900 . 6.000 4.175 3.340 5.174 . 0 0 "[ . 1 .]" 1
688 1 64 ASN H 1 64 ASN HA 2.700 . 3.600 2.789 2.736 2.821 . 0 0 "[ . 1 .]" 1
689 1 64 ASN H 1 64 ASN HB2 3.200 . 4.500 3.267 3.014 3.528 . 0 0 "[ . 1 .]" 1
690 1 64 ASN H 1 64 ASN HB3 2.600 . 3.500 2.097 2.031 2.261 . 0 0 "[ . 1 .]" 1
691 1 64 ASN H 1 64 ASN HD21 3.300 . 4.600 3.148 2.664 3.636 . 0 0 "[ . 1 .]" 1
692 1 64 ASN H 1 64 ASN HD22 5.000 . 6.000 4.713 4.174 5.129 . 0 0 "[ . 1 .]" 1
693 1 64 ASN H 1 65 MET HA 4.700 . 6.000 5.100 4.981 5.330 . 0 0 "[ . 1 .]" 1
694 1 64 ASN H 1 65 MET QB 3.500 . 5.100 4.092 3.848 4.409 . 0 0 "[ . 1 .]" 1
695 1 64 ASN HA 1 64 ASN HB2 2.300 . 3.000 2.218 2.194 2.251 . 0 0 "[ . 1 .]" 1
696 1 64 ASN HA 1 64 ASN HB3 2.700 . 3.600 2.829 2.662 2.932 . 0 0 "[ . 1 .]" 1
697 1 64 ASN HA 1 65 MET H 3.200 . 4.500 3.340 3.191 3.537 . 0 0 "[ . 1 .]" 1
698 1 64 ASN HA 1 65 MET QB 4.000 . 6.000 4.909 4.772 5.100 . 0 0 "[ . 1 .]" 1
699 1 64 ASN HA 1 65 MET ME 3.800 . 5.600 5.186 4.887 5.557 . 0 0 "[ . 1 .]" 1
700 1 64 ASN HA 1 66 TYR H 4.500 . 6.000 3.550 3.277 3.993 . 0 0 "[ . 1 .]" 1
701 1 64 ASN HA 1 67 ARG HB2 5.000 . 6.000 4.166 4.040 4.466 . 0 0 "[ . 1 .]" 1
702 1 64 ASN HA 1 67 ARG HB3 4.800 . 6.000 4.164 3.439 4.387 . 0 0 "[ . 1 .]" 1
703 1 64 ASN HA 1 67 ARG QD 4.100 . 6.000 2.538 1.804 3.379 0.196 5 0 "[ . 1 .]" 1
704 1 64 ASN HA 1 67 ARG QG 2.800 . 3.800 1.714 1.618 1.836 0.182 14 0 "[ . 1 .]" 1
705 1 64 ASN HB2 1 64 ASN HD21 4.500 . 6.000 3.462 3.368 3.508 . 0 0 "[ . 1 .]" 1
706 1 64 ASN HB2 1 65 MET H 4.300 . 6.000 4.367 4.124 4.585 . 0 0 "[ . 1 .]" 1
707 1 64 ASN HB2 1 67 ARG HB3 5.200 . 6.000 6.032 5.292 6.202 0.202 4 0 "[ . 1 .]" 1
708 1 64 ASN HB2 1 67 ARG QD 4.400 . 6.000 3.643 2.011 4.448 . 0 0 "[ . 1 .]" 1
709 1 64 ASN HB2 1 116 ILE MG 5.300 . 6.000 4.663 4.212 5.111 . 0 0 "[ . 1 .]" 1
710 1 64 ASN HB3 1 65 MET H 4.000 . 6.000 3.551 3.128 4.134 . 0 0 "[ . 1 .]" 1
711 1 64 ASN HD21 1 65 MET QB 3.700 . 5.400 3.600 2.973 5.060 . 0 0 "[ . 1 .]" 1
712 1 64 ASN HD21 1 67 ARG HE 4.500 . 6.000 5.404 4.655 6.346 0.346 14 0 "[ . 1 .]" 1
713 1 64 ASN HD22 1 65 MET QB 3.700 . 5.500 4.035 3.385 5.125 . 0 0 "[ . 1 .]" 1
714 1 64 ASN HD22 1 116 ILE HA 4.000 . 6.000 5.111 4.075 5.813 . 0 0 "[ . 1 .]" 1
715 1 64 ASN HD22 1 120 VAL HB 3.500 . 5.000 3.407 2.906 4.381 . 0 0 "[ . 1 .]" 1
716 1 64 ASN HD22 1 120 VAL QG 2.700 . 3.600 2.414 1.975 3.724 0.124 5 0 "[ . 1 .]" 1
717 1 65 MET H 1 65 MET HA 2.900 . 3.900 2.811 2.712 2.868 . 0 0 "[ . 1 .]" 1
718 1 65 MET H 1 65 MET QB 3.000 . 4.200 2.004 1.873 2.134 . 0 0 "[ . 1 .]" 1
719 1 65 MET H 1 65 MET HG3 3.900 . 5.800 4.427 4.148 4.626 . 0 0 "[ . 1 .]" 1
720 1 65 MET H 1 66 TYR H 3.400 . 4.900 2.510 2.219 2.852 . 0 0 "[ . 1 .]" 1
721 1 65 MET H 1 68 TYR H 5.700 . 6.000 4.556 4.226 4.761 . 0 0 "[ . 1 .]" 1
722 1 65 MET HA 1 65 MET QB 2.300 . 3.000 2.270 2.093 2.490 . 0 0 "[ . 1 .]" 1
723 1 65 MET HA 1 65 MET ME 3.000 . 4.100 3.697 3.402 3.844 . 0 0 "[ . 1 .]" 1
724 1 65 MET HA 1 66 TYR H 4.000 . 6.000 3.390 3.271 3.514 . 0 0 "[ . 1 .]" 1
725 1 65 MET HA 1 67 ARG H 4.700 . 6.000 4.656 3.534 5.228 . 0 0 "[ . 1 .]" 1
726 1 65 MET HA 1 68 TYR H 3.800 . 5.600 4.303 3.630 4.723 . 0 0 "[ . 1 .]" 1
727 1 65 MET HA 1 68 TYR QB 3.700 . 4.500 3.755 3.333 4.034 . 0 0 "[ . 1 .]" 1
728 1 65 MET QB 1 66 TYR H 3.900 . 5.800 3.116 2.799 3.523 . 0 0 "[ . 1 .]" 1
729 1 65 MET QB 1 67 ARG QG 4.100 . 6.000 5.000 4.734 5.422 . 0 0 "[ . 1 .]" 1
730 1 65 MET QB 1 68 TYR H 5.000 . 6.000 5.450 5.038 5.707 . 0 0 "[ . 1 .]" 1
731 1 65 MET QB 1 69 PRO HA 3.400 . 6.000 5.256 5.017 5.444 . 0 0 "[ . 1 .]" 1
732 1 65 MET ME 1 66 TYR H 3.600 . 5.200 3.079 2.232 4.403 . 0 0 "[ . 1 .]" 1
733 1 65 MET ME 1 66 TYR HA 4.100 . 6.000 4.185 2.720 6.160 0.160 3 0 "[ . 1 .]" 1
734 1 65 MET ME 1 66 TYR QE 3.200 . 6.000 4.794 2.560 6.001 0.001 6 0 "[ . 1 .]" 1
735 1 65 MET ME 1 67 ARG HE 2.100 . 6.000 5.695 4.770 6.200 0.200 4 0 "[ . 1 .]" 1
736 1 65 MET ME 1 68 TYR H 2.500 . 6.000 5.829 5.203 6.237 0.237 7 0 "[ . 1 .]" 1
737 1 65 MET ME 1 68 TYR QB 3.400 . 6.000 5.906 5.454 6.076 0.076 2 0 "[ . 1 .]" 1
738 1 65 MET HG3 1 66 TYR H 4.300 . 6.000 5.083 4.279 5.354 . 0 0 "[ . 1 .]" 1
739 1 66 TYR H 1 66 TYR HA 3.000 . 4.100 2.925 2.879 2.949 . 0 0 "[ . 1 .]" 1
740 1 66 TYR H 1 66 TYR HB2 2.600 . 3.400 2.596 2.122 2.958 . 0 0 "[ . 1 .]" 1
741 1 66 TYR H 1 66 TYR HB3 3.100 . 6.000 3.027 2.388 3.696 . 0 0 "[ . 1 .]" 1
742 1 66 TYR H 1 66 TYR QD 3.800 . 5.600 3.732 2.765 4.270 . 0 0 "[ . 1 .]" 1
743 1 66 TYR H 1 67 ARG QD 3.700 . 6.000 4.578 4.145 4.962 . 0 0 "[ . 1 .]" 1
744 1 66 TYR H 1 67 ARG HE 4.400 . 6.000 4.463 3.383 5.388 . 0 0 "[ . 1 .]" 1
745 1 66 TYR H 1 68 TYR H 3.400 . 4.800 3.658 3.249 4.276 . 0 0 "[ . 1 .]" 1
746 1 66 TYR HA 1 66 TYR HB3 3.000 . 4.100 2.806 2.451 3.032 . 0 0 "[ . 1 .]" 1
747 1 66 TYR HA 1 66 TYR QD 3.600 . 5.200 2.618 2.345 2.922 . 0 0 "[ . 1 .]" 1
748 1 66 TYR HA 1 67 ARG H 3.800 . 5.600 3.487 3.353 3.558 . 0 0 "[ . 1 .]" 1
749 1 66 TYR HA 1 68 TYR H 5.100 . 6.000 4.996 3.933 5.550 . 0 0 "[ . 1 .]" 1
750 1 66 TYR HB2 1 67 ARG H 6.000 . 6.000 3.229 2.287 4.079 . 0 0 "[ . 1 .]" 1
751 1 66 TYR HB3 1 66 TYR QD 3.400 . 4.800 2.432 2.263 2.664 . 0 0 "[ . 1 .]" 1
752 1 66 TYR HB3 1 67 ARG H 2.900 . 4.000 2.938 2.181 3.983 . 0 0 "[ . 1 .]" 1
753 1 66 TYR HB3 1 68 TYR H 3.900 . 5.800 5.258 4.588 5.872 0.072 10 0 "[ . 1 .]" 1
754 1 67 ARG H 1 67 ARG HB2 3.100 . 4.300 3.532 3.438 3.732 . 0 0 "[ . 1 .]" 1
755 1 67 ARG H 1 67 ARG QD 4.300 . 6.000 3.519 3.240 3.879 . 0 0 "[ . 1 .]" 1
756 1 67 ARG H 1 67 ARG QG 3.200 . 6.000 1.597 1.310 2.039 . 0 0 "[ . 1 .]" 1
757 1 67 ARG H 1 68 TYR H 2.900 . 3.900 2.455 1.855 2.680 0.045 13 0 "[ . 1 .]" 1
758 1 67 ARG H 1 68 TYR QB 6.000 . 6.000 4.411 3.855 4.686 . 0 0 "[ . 1 .]" 1
759 1 67 ARG H 1 68 TYR QD 5.300 . 6.000 4.679 4.120 5.102 . 0 0 "[ . 1 .]" 1
760 1 67 ARG H 1 68 TYR QE 4.900 . 6.000 5.969 5.508 6.260 0.260 13 0 "[ . 1 .]" 1
761 1 67 ARG HA 1 67 ARG HB2 2.600 . 6.000 2.543 2.423 2.616 . 0 0 "[ . 1 .]" 1
762 1 67 ARG HA 1 67 ARG QD 4.700 . 6.000 4.312 4.152 4.585 . 0 0 "[ . 1 .]" 1
763 1 67 ARG HA 1 68 TYR H 3.800 . 5.600 3.488 3.307 3.562 . 0 0 "[ . 1 .]" 1
764 1 67 ARG HA 1 69 PRO HA 3.900 . 6.000 5.880 5.124 6.242 0.242 14 0 "[ . 1 .]" 1
765 1 67 ARG HA 1 102 THR HA 3.500 . 6.000 5.796 5.162 6.181 0.181 3 0 "[ . 1 .]" 1
766 1 67 ARG HA 1 105 LYS HG3 3.000 . 6.000 5.984 5.702 6.339 0.339 2 0 "[ . 1 .]" 1
767 1 67 ARG HA 1 107 GLU QB 3.800 . 6.000 5.347 5.028 5.609 . 0 0 "[ . 1 .]" 1
768 1 67 ARG HA 1 107 GLU QG 4.600 . 6.000 4.376 3.615 5.630 . 0 0 "[ . 1 .]" 1
769 1 67 ARG HB2 1 67 ARG QD 3.300 . 4.700 2.515 2.357 2.834 . 0 0 "[ . 1 .]" 1
770 1 67 ARG HB2 1 107 GLU QG 4.400 . 6.000 2.662 2.220 3.853 . 0 0 "[ . 1 .]" 1
771 1 67 ARG HB3 1 67 ARG QD 3.300 . 4.700 2.421 2.227 2.953 . 0 0 "[ . 1 .]" 1
772 1 67 ARG HB3 1 67 ARG QG 2.600 . 3.400 2.387 2.318 2.476 . 0 0 "[ . 1 .]" 1
773 1 67 ARG HB3 1 68 TYR QB 4.900 . 6.000 5.584 5.163 5.722 . 0 0 "[ . 1 .]" 1
774 1 67 ARG QD 1 67 ARG HE 3.000 . 4.100 2.401 2.266 2.481 . 0 0 "[ . 1 .]" 1
775 1 67 ARG QD 1 67 ARG QG 3.000 . 3.600 2.051 2.003 2.094 . 0 0 "[ . 1 .]" 1
776 1 67 ARG QD 1 68 TYR H 3.800 . 5.600 3.726 3.415 4.638 . 0 0 "[ . 1 .]" 1
777 1 67 ARG QD 1 105 LYS QE 3.900 . 6.000 4.938 4.065 5.834 . 0 0 "[ . 1 .]" 1
778 1 67 ARG QD 1 116 ILE MD 4.000 . 5.400 4.336 3.145 4.945 . 0 0 "[ . 1 .]" 1
779 1 67 ARG HE 1 68 TYR H 5.100 . 6.000 4.076 3.265 5.074 . 0 0 "[ . 1 .]" 1
780 1 67 ARG QG 1 68 TYR H 2.200 . 6.000 1.625 1.375 2.544 . 0 0 "[ . 1 .]" 1
781 1 67 ARG QG 1 68 TYR HA 4.400 . 6.000 3.923 3.704 4.296 . 0 0 "[ . 1 .]" 1
782 1 67 ARG QG 1 69 PRO HA 4.400 . 6.000 5.611 5.347 5.950 . 0 0 "[ . 1 .]" 1
783 1 67 ARG QG 1 102 THR MG 3.700 . 5.400 4.218 3.757 4.717 . 0 0 "[ . 1 .]" 1
784 1 67 ARG QG 1 107 GLU QG 5.200 . 6.000 3.994 3.279 4.563 . 0 0 "[ . 1 .]" 1
785 1 67 ARG QG 1 113 ASP QB 3.500 . 6.000 5.390 4.436 6.579 0.579 12 1 "[ . 1 + .]" 1
786 1 68 TYR H 1 68 TYR HA 2.900 . 6.000 2.916 2.841 2.948 . 0 0 "[ . 1 .]" 1
787 1 68 TYR H 1 68 TYR QB 3.200 . 4.500 2.370 1.962 2.719 . 0 0 "[ . 1 .]" 1
788 1 68 TYR H 1 68 TYR QD 3.100 . 4.300 3.094 2.709 3.528 . 0 0 "[ . 1 .]" 1
789 1 68 TYR HA 1 68 TYR QB 3.100 . 4.300 2.326 2.220 2.389 . 0 0 "[ . 1 .]" 1
790 1 68 TYR HA 1 68 TYR QD 3.100 . 4.300 2.554 2.145 3.537 . 0 0 "[ . 1 .]" 1
791 1 68 TYR HA 1 117 MET HA 5.600 . 6.000 6.021 5.666 6.221 0.221 12 0 "[ . 1 .]" 1
792 1 68 TYR HA 1 117 MET HG2 5.800 . 6.000 5.721 5.082 6.100 0.100 11 0 "[ . 1 .]" 1
793 1 68 TYR QB 1 117 MET ME 4.200 . 6.000 3.735 3.089 4.361 . 0 0 "[ . 1 .]" 1
794 1 68 TYR QB 1 117 MET HG2 5.300 . 6.000 3.677 3.334 3.994 . 0 0 "[ . 1 .]" 1
795 1 68 TYR QB 1 117 MET HG3 3.400 . 4.900 2.193 1.951 2.414 . 0 0 "[ . 1 .]" 1
796 1 68 TYR QB 1 120 VAL QG 4.800 . 6.000 4.824 4.671 5.086 . 0 0 "[ . 1 .]" 1
797 1 68 TYR QD 1 117 MET HA 4.400 . 6.000 3.947 3.069 4.820 . 0 0 "[ . 1 .]" 1
798 1 68 TYR QD 1 117 MET ME 3.300 . 4.600 3.684 2.971 4.542 . 0 0 "[ . 1 .]" 1
799 1 69 PRO HA 1 69 PRO HB3 2.800 . 3.800 2.391 2.359 2.419 . 0 0 "[ . 1 .]" 1
800 1 69 PRO HA 1 69 PRO HD2 3.300 . 4.600 4.058 3.981 4.120 . 0 0 "[ . 1 .]" 1
801 1 69 PRO HA 1 69 PRO HD3 3.900 . 5.800 3.803 3.626 3.953 . 0 0 "[ . 1 .]" 1
802 1 69 PRO HA 1 71 GLN H 4.000 . 6.000 4.404 4.033 5.094 . 0 0 "[ . 1 .]" 1
803 1 69 PRO HA 1 71 GLN QG 3.800 . 5.600 4.314 3.724 5.516 . 0 0 "[ . 1 .]" 1
804 1 69 PRO HA 1 98 HIS HE1 4.300 . 6.000 4.474 3.830 5.804 . 0 0 "[ . 1 .]" 1
805 1 69 PRO HB2 1 69 PRO HD3 3.900 . 5.800 3.913 3.783 4.042 . 0 0 "[ . 1 .]" 1
806 1 69 PRO HB2 1 94 THR HG1 3.400 . 6.000 5.759 5.003 6.156 0.156 13 0 "[ . 1 .]" 1
807 1 69 PRO HB2 1 121 VAL QG 4.600 . 6.000 4.223 3.867 4.775 . 0 0 "[ . 1 .]" 1
808 1 69 PRO HB3 1 69 PRO HD2 3.400 . 4.800 3.782 3.709 3.851 . 0 0 "[ . 1 .]" 1
809 1 69 PRO HB3 1 69 PRO HD3 4.100 . 6.000 2.887 2.653 3.163 . 0 0 "[ . 1 .]" 1
810 1 69 PRO HB3 1 69 PRO HG2 2.500 . 3.300 3.023 3.005 3.041 . 0 0 "[ . 1 .]" 1
811 1 69 PRO HB3 1 70 ASN H 4.400 . 6.000 3.530 3.167 3.873 . 0 0 "[ . 1 .]" 1
812 1 69 PRO HD2 1 94 THR HA 4.100 . 6.000 5.942 5.597 6.240 0.240 8 0 "[ . 1 .]" 1
813 1 69 PRO HD2 1 94 THR HG1 4.400 . 6.000 5.552 5.214 5.803 . 0 0 "[ . 1 .]" 1
814 1 69 PRO HD2 1 117 MET HA 4.300 . 6.000 5.246 4.510 6.061 0.061 4 0 "[ . 1 .]" 1
815 1 69 PRO HD2 1 117 MET QB 3.500 . 5.000 4.478 3.697 4.911 . 0 0 "[ . 1 .]" 1
816 1 69 PRO HD2 1 117 MET ME 4.500 . 6.000 5.461 4.944 5.855 . 0 0 "[ . 1 .]" 1
817 1 69 PRO HD3 1 94 THR HA 4.000 . 6.000 5.902 5.651 6.180 0.180 1 0 "[ . 1 .]" 1
818 1 69 PRO HG2 1 70 ASN HB3 3.500 . 6.000 5.964 5.494 6.169 0.169 4 0 "[ . 1 .]" 1
819 1 69 PRO HG2 1 71 GLN HA 4.900 . 6.000 4.968 4.806 5.140 . 0 0 "[ . 1 .]" 1
820 1 69 PRO HG2 1 72 VAL MG1 4.700 . 6.000 4.451 3.974 4.949 . 0 0 "[ . 1 .]" 1
821 1 69 PRO HG2 1 95 VAL MG1 4.400 . 6.000 5.532 5.006 6.063 0.063 10 0 "[ . 1 .]" 1
822 1 69 PRO HG2 1 120 VAL QG 3.800 . 6.000 6.020 5.866 6.720 0.720 10 1 "[ . + .]" 1
823 1 69 PRO HG3 1 70 ASN H 4.700 . 6.000 4.746 4.046 5.145 . 0 0 "[ . 1 .]" 1
824 1 69 PRO HG3 1 71 GLN H 3.900 . 5.800 3.897 3.515 4.141 . 0 0 "[ . 1 .]" 1
825 1 69 PRO HG3 1 71 GLN HA 4.100 . 6.000 6.015 5.675 6.149 0.149 10 0 "[ . 1 .]" 1
826 1 70 ASN H 1 70 ASN HB2 4.000 . 6.000 3.548 2.911 3.771 . 0 0 "[ . 1 .]" 1
827 1 70 ASN H 1 70 ASN HB3 3.700 . 5.400 3.278 3.013 3.973 . 0 0 "[ . 1 .]" 1
828 1 70 ASN H 1 71 GLN H 2.400 . 3.100 2.972 1.724 3.319 0.219 2 0 "[ . 1 .]" 1
829 1 70 ASN H 1 71 GLN HA 5.600 . 6.000 5.009 4.393 5.333 . 0 0 "[ . 1 .]" 1
830 1 70 ASN H 1 71 GLN QG 3.300 . 4.700 3.116 2.646 4.123 . 0 0 "[ . 1 .]" 1
831 1 70 ASN HA 1 70 ASN HB2 2.900 . 4.000 2.621 2.479 2.992 . 0 0 "[ . 1 .]" 1
832 1 70 ASN HA 1 70 ASN HB3 2.500 . 3.300 2.318 2.232 2.402 . 0 0 "[ . 1 .]" 1
833 1 70 ASN HA 1 71 GLN H 3.300 . 4.700 2.613 2.315 3.372 . 0 0 "[ . 1 .]" 1
834 1 70 ASN HA 1 71 GLN HA 2.900 . 6.000 4.293 4.048 4.606 . 0 0 "[ . 1 .]" 1
835 1 70 ASN HA 1 71 GLN QG 3.900 . 5.800 4.420 4.038 5.190 . 0 0 "[ . 1 .]" 1
836 1 70 ASN HA 1 121 VAL QG 4.900 . 6.000 3.246 2.808 3.511 . 0 0 "[ . 1 .]" 1
837 1 70 ASN HB3 1 71 GLN H 5.700 . 6.000 4.488 4.205 4.581 . 0 0 "[ . 1 .]" 1
838 1 70 ASN HB3 1 120 VAL HB 4.500 . 6.000 6.246 6.160 6.380 0.380 14 0 "[ . 1 .]" 1
839 1 71 GLN H 1 71 GLN HA 2.900 . 3.900 2.843 2.817 2.926 . 0 0 "[ . 1 .]" 1
840 1 71 GLN H 1 71 GLN HB2 4.100 . 6.000 3.885 3.290 4.021 . 0 0 "[ . 1 .]" 1
841 1 71 GLN H 1 71 GLN QG 3.000 . 4.100 2.520 1.864 3.043 0.036 11 0 "[ . 1 .]" 1
842 1 71 GLN H 1 72 VAL H 3.200 . 4.500 4.318 4.245 4.532 0.032 11 0 "[ . 1 .]" 1
843 1 71 GLN HA 1 71 GLN HB2 2.800 . 3.800 2.520 2.430 2.838 . 0 0 "[ . 1 .]" 1
844 1 71 GLN HA 1 71 GLN HB3 2.500 . 3.300 2.384 2.208 2.460 . 0 0 "[ . 1 .]" 1
845 1 71 GLN HA 1 72 VAL H 2.500 . 3.300 2.381 2.311 2.540 . 0 0 "[ . 1 .]" 1
846 1 71 GLN HA 1 72 VAL HA 3.900 . 5.800 4.368 4.269 4.427 . 0 0 "[ . 1 .]" 1
847 1 71 GLN HA 1 72 VAL MG1 3.700 . 5.400 4.139 3.983 4.438 . 0 0 "[ . 1 .]" 1
848 1 71 GLN HA 1 72 VAL MG2 3.900 . 5.800 3.182 2.995 3.353 . 0 0 "[ . 1 .]" 1
849 1 71 GLN HA 1 124 MET ME 2.800 . 3.800 2.417 1.812 2.946 . 0 0 "[ . 1 .]" 1
850 1 71 GLN HB2 1 71 GLN QG 2.600 . 6.000 2.286 2.124 2.478 . 0 0 "[ . 1 .]" 1
851 1 71 GLN HB2 1 72 VAL H 3.200 . 4.500 2.655 2.379 2.891 . 0 0 "[ . 1 .]" 1
852 1 71 GLN HB2 1 72 VAL HA 3.700 . 5.400 4.448 4.312 4.755 . 0 0 "[ . 1 .]" 1
853 1 71 GLN HB2 1 72 VAL HB 4.100 . 6.000 6.067 5.878 6.138 0.138 5 0 "[ . 1 .]" 1
854 1 71 GLN HB3 1 72 VAL H 4.000 . 6.000 3.765 3.020 3.950 . 0 0 "[ . 1 .]" 1
855 1 72 VAL H 1 72 VAL MG1 3.500 . 5.000 3.480 3.345 3.657 . 0 0 "[ . 1 .]" 1
856 1 72 VAL H 1 72 VAL MG2 2.700 . 3.600 2.160 1.927 2.296 . 0 0 "[ . 1 .]" 1
857 1 72 VAL H 1 73 TYR HB2 5.100 . 6.000 6.281 6.175 6.389 0.389 9 0 "[ . 1 .]" 1
858 1 72 VAL HA 1 72 VAL HB 2.700 . 3.600 2.654 2.595 2.721 . 0 0 "[ . 1 .]" 1
859 1 72 VAL HA 1 72 VAL MG1 2.500 . 3.300 2.098 1.958 2.160 . 0 0 "[ . 1 .]" 1
860 1 72 VAL HA 1 72 VAL MG2 3.200 . 4.500 3.128 3.087 3.152 . 0 0 "[ . 1 .]" 1
861 1 72 VAL HA 1 73 TYR H 2.800 . 3.800 2.448 2.320 2.564 . 0 0 "[ . 1 .]" 1
862 1 72 VAL HA 1 73 TYR HA 4.300 . 6.000 4.310 4.176 4.393 . 0 0 "[ . 1 .]" 1
863 1 72 VAL HA 1 94 THR HA 6.000 . 6.000 4.272 4.148 4.540 . 0 0 "[ . 1 .]" 1
864 1 72 VAL HA 1 94 THR HG1 1.900 . 2.300 1.444 1.301 1.623 0.199 2 0 "[ . 1 .]" 1
865 1 72 VAL HA 1 121 VAL QG 3.800 . 5.600 2.974 2.563 3.961 . 0 0 "[ . 1 .]" 1
866 1 72 VAL HA 1 124 MET ME 4.100 . 6.000 4.814 4.422 5.024 . 0 0 "[ . 1 .]" 1
867 1 72 VAL HB 1 72 VAL MG2 2.300 . 3.000 2.130 2.120 2.141 . 0 0 "[ . 1 .]" 1
868 1 72 VAL HB 1 73 TYR H 2.400 . 3.100 2.277 2.084 2.488 . 0 0 "[ . 1 .]" 1
869 1 72 VAL HB 1 91 VAL HB 4.300 . 6.000 5.256 4.971 5.418 . 0 0 "[ . 1 .]" 1
870 1 72 VAL HB 1 93 ILE QG 4.100 . 6.000 5.340 5.194 5.470 . 0 0 "[ . 1 .]" 1
871 1 72 VAL HB 1 94 THR HG1 3.700 . 5.400 3.585 3.178 3.963 . 0 0 "[ . 1 .]" 1
872 1 72 VAL HB 1 124 MET ME 3.600 . 5.200 4.761 4.472 5.016 . 0 0 "[ . 1 .]" 1
873 1 72 VAL MG1 1 72 VAL MG2 2.200 . 2.800 2.079 2.060 2.101 . 0 0 "[ . 1 .]" 1
874 1 72 VAL MG1 1 73 TYR H 3.900 . 5.800 3.037 2.867 3.164 . 0 0 "[ . 1 .]" 1
875 1 72 VAL MG1 1 93 ILE QG 3.000 . 6.000 5.198 5.022 5.299 . 0 0 "[ . 1 .]" 1
876 1 72 VAL MG1 1 94 THR HB 3.200 . 4.500 2.428 2.339 2.500 . 0 0 "[ . 1 .]" 1
877 1 72 VAL MG1 1 94 THR HG1 2.600 . 3.500 2.578 2.195 2.833 . 0 0 "[ . 1 .]" 1
878 1 72 VAL MG1 1 95 VAL HA 4.400 . 6.000 5.830 5.666 5.932 . 0 0 "[ . 1 .]" 1
879 1 72 VAL MG1 1 95 VAL HB 4.400 . 6.000 6.367 6.310 6.434 0.434 11 0 "[ . 1 .]" 1
880 1 72 VAL MG1 1 95 VAL MG1 3.400 . 4.900 3.840 3.792 3.885 . 0 0 "[ . 1 .]" 1
881 1 72 VAL MG1 1 121 VAL HA 3.300 . 4.700 2.910 2.801 3.103 . 0 0 "[ . 1 .]" 1
882 1 72 VAL MG1 1 121 VAL HB 3.400 . 4.900 3.647 1.778 3.870 0.122 2 0 "[ . 1 .]" 1
883 1 72 VAL MG1 1 121 VAL QG 2.500 . 3.300 1.607 1.516 2.437 0.184 11 0 "[ . 1 .]" 1
884 1 72 VAL MG1 1 124 MET HA 4.500 . 6.000 6.149 6.003 6.364 0.364 11 0 "[ . 1 .]" 1
885 1 72 VAL MG1 1 124 MET ME 2.900 . 4.000 3.401 3.073 3.624 . 0 0 "[ . 1 .]" 1
886 1 72 VAL MG1 1 125 CYS HA 4.300 . 6.000 3.933 3.773 4.132 . 0 0 "[ . 1 .]" 1
887 1 72 VAL MG2 1 73 TYR H 5.100 . 6.000 3.746 3.604 3.924 . 0 0 "[ . 1 .]" 1
888 1 72 VAL MG2 1 73 TYR QD 4.600 . 6.000 5.426 5.089 5.861 . 0 0 "[ . 1 .]" 1
889 1 72 VAL MG2 1 74 TYR HA 4.200 . 6.000 5.978 5.522 6.197 0.197 5 0 "[ . 1 .]" 1
890 1 72 VAL MG2 1 74 TYR QD 3.000 . 4.200 2.642 2.072 3.913 . 0 0 "[ . 1 .]" 1
891 1 72 VAL MG2 1 90 CYS HB3 4.000 . 6.000 4.469 3.857 5.014 . 0 0 "[ . 1 .]" 1
892 1 72 VAL MG2 1 94 THR HG1 4.300 . 6.000 4.257 4.058 4.415 . 0 0 "[ . 1 .]" 1
893 1 72 VAL MG2 1 95 VAL MG1 3.500 . 6.000 6.028 5.947 6.092 0.092 15 0 "[ . 1 .]" 1
894 1 72 VAL MG2 1 120 VAL QG 3.600 . 6.000 5.826 5.625 5.975 . 0 0 "[ . 1 .]" 1
895 1 72 VAL MG2 1 121 VAL HA 3.800 . 5.600 4.156 3.945 4.350 . 0 0 "[ . 1 .]" 1
896 1 72 VAL MG2 1 121 VAL QG 3.200 . 4.500 3.229 2.906 4.101 . 0 0 "[ . 1 .]" 1
897 1 72 VAL MG2 1 124 MET ME 2.500 . 3.300 2.118 1.864 2.372 . 0 0 "[ . 1 .]" 1
898 1 72 VAL MG2 1 124 MET QG 3.500 . 5.000 4.090 2.961 4.568 . 0 0 "[ . 1 .]" 1
899 1 72 VAL MG2 1 125 CYS H 4.700 . 6.000 3.570 3.085 3.973 . 0 0 "[ . 1 .]" 1
900 1 72 VAL MG2 1 125 CYS HA 2.900 . 3.900 2.315 2.113 2.551 . 0 0 "[ . 1 .]" 1
901 1 72 VAL MG2 1 128 GLN H 4.900 . 6.000 4.878 4.666 5.218 . 0 0 "[ . 1 .]" 1
902 1 72 VAL MG2 1 128 GLN HB3 3.600 . 5.200 3.944 3.619 4.721 . 0 0 "[ . 1 .]" 1
903 1 73 TYR H 1 73 TYR HB3 2.200 . 6.000 3.553 3.373 3.669 . 0 0 "[ . 1 .]" 1
904 1 73 TYR H 1 73 TYR QE 4.600 . 6.000 4.991 4.807 5.498 . 0 0 "[ . 1 .]" 1
905 1 73 TYR H 1 91 VAL MG1 4.200 . 6.000 4.478 4.154 4.804 . 0 0 "[ . 1 .]" 1
906 1 73 TYR H 1 93 ILE QG 4.000 . 6.000 4.266 4.089 4.484 . 0 0 "[ . 1 .]" 1
907 1 73 TYR H 1 94 THR H 3.200 . 4.500 3.928 3.749 4.293 . 0 0 "[ . 1 .]" 1
908 1 73 TYR H 1 94 THR HA 5.300 . 6.000 4.083 3.630 4.322 . 0 0 "[ . 1 .]" 1
909 1 73 TYR H 1 94 THR HG1 3.000 . 4.200 2.505 1.983 2.942 . 0 0 "[ . 1 .]" 1
910 1 73 TYR HA 1 73 TYR HB2 2.700 . 3.600 2.971 2.920 2.991 . 0 0 "[ . 1 .]" 1
911 1 73 TYR HA 1 73 TYR QD 3.200 . 4.500 2.835 2.104 3.122 . 0 0 "[ . 1 .]" 1
912 1 73 TYR HA 1 74 TYR H 2.500 . 3.300 2.175 2.094 2.264 . 0 0 "[ . 1 .]" 1
913 1 73 TYR HA 1 74 TYR HB2 5.200 . 6.000 5.700 4.792 5.899 . 0 0 "[ . 1 .]" 1
914 1 73 TYR HA 1 74 TYR HB3 4.700 . 6.000 4.662 4.350 4.843 . 0 0 "[ . 1 .]" 1
915 1 73 TYR HA 1 74 TYR QD 4.200 . 6.000 4.331 3.931 5.877 . 0 0 "[ . 1 .]" 1
916 1 73 TYR HA 1 90 CYS HA 4.100 . 6.000 5.592 5.262 5.957 . 0 0 "[ . 1 .]" 1
917 1 73 TYR HA 1 93 ILE MG 4.600 . 6.000 4.771 4.446 5.074 . 0 0 "[ . 1 .]" 1
918 1 73 TYR HA 1 94 THR HG1 4.500 . 6.000 4.480 4.080 4.771 . 0 0 "[ . 1 .]" 1
919 1 73 TYR HB2 1 74 TYR H 3.700 . 5.400 4.467 4.399 4.542 . 0 0 "[ . 1 .]" 1
920 1 73 TYR HB2 1 93 ILE HB 4.100 . 6.000 1.983 1.791 2.201 0.209 12 0 "[ . 1 .]" 1
921 1 73 TYR HB2 1 93 ILE MG 2.700 . 3.600 2.775 2.496 3.069 . 0 0 "[ . 1 .]" 1
922 1 73 TYR HB2 1 97 GLN HE21 4.100 . 6.000 5.636 4.897 6.648 0.648 6 1 "[ .+ 1 .]" 1
923 1 73 TYR HB3 1 73 TYR QD 3.200 . 4.400 2.463 2.332 2.750 . 0 0 "[ . 1 .]" 1
924 1 73 TYR HB3 1 74 TYR HB2 4.200 . 6.000 6.132 5.167 6.475 0.475 3 0 "[ . 1 .]" 1
925 1 73 TYR HB3 1 94 THR H 4.400 . 6.000 5.388 4.983 5.729 . 0 0 "[ . 1 .]" 1
926 1 73 TYR HB3 1 94 THR HA 4.600 . 6.000 5.077 4.412 5.483 . 0 0 "[ . 1 .]" 1
927 1 73 TYR HB3 1 94 THR HG1 3.700 . 5.400 5.176 4.752 5.482 0.082 11 0 "[ . 1 .]" 1
928 1 73 TYR QD 1 94 THR HA 2.900 . 6.000 2.072 1.749 2.619 . 0 0 "[ . 1 .]" 1
929 1 73 TYR QD 1 94 THR HB 4.100 . 6.000 3.892 3.695 4.707 . 0 0 "[ . 1 .]" 1
930 1 73 TYR QD 1 94 THR HG1 2.700 . 3.600 2.411 1.770 4.008 0.408 12 0 "[ . 1 .]" 1
931 1 73 TYR QE 1 94 THR H 3.600 . 6.000 5.481 5.036 5.818 . 0 0 "[ . 1 .]" 1
932 1 73 TYR QE 1 95 VAL H 4.800 . 6.000 6.039 5.612 6.367 0.367 11 0 "[ . 1 .]" 1
933 1 74 TYR H 1 74 TYR HB3 3.400 . 4.800 3.407 3.080 3.548 . 0 0 "[ . 1 .]" 1
934 1 74 TYR H 1 74 TYR QD 3.100 . 4.300 3.315 2.178 4.332 0.032 9 0 "[ . 1 .]" 1
935 1 74 TYR H 1 93 ILE QG 6.000 . 6.000 5.707 5.434 5.819 . 0 0 "[ . 1 .]" 1
936 1 74 TYR HA 1 74 TYR HB2 2.900 . 4.000 2.399 2.288 2.456 . 0 0 "[ . 1 .]" 1
937 1 74 TYR HA 1 74 TYR HB3 2.800 . 3.700 2.527 2.423 3.039 . 0 0 "[ . 1 .]" 1
938 1 74 TYR HA 1 74 TYR QD 3.900 . 5.800 3.666 2.871 3.749 . 0 0 "[ . 1 .]" 1
939 1 74 TYR HA 1 75 ARG H 2.700 . 3.600 2.361 2.237 2.499 . 0 0 "[ . 1 .]" 1
940 1 74 TYR HA 1 93 ILE MD 4.900 . 6.000 5.553 5.082 5.806 . 0 0 "[ . 1 .]" 1
941 1 74 TYR HA 1 93 ILE MG 4.600 . 6.000 5.014 4.652 5.478 . 0 0 "[ . 1 .]" 1
942 1 74 TYR HB2 1 75 ARG H 3.200 . 4.400 2.524 2.212 3.697 . 0 0 "[ . 1 .]" 1
943 1 74 TYR HB2 1 75 ARG HA 3.800 . 5.600 4.843 4.558 5.972 0.372 9 0 "[ . 1 .]" 1
944 1 74 TYR HB2 1 77 VAL HB 4.400 . 6.000 5.355 4.555 6.720 0.720 9 1 "[ . +1 .]" 1
945 1 74 TYR HB3 1 75 ARG H 4.100 . 6.000 3.770 3.562 4.055 . 0 0 "[ . 1 .]" 1
946 1 74 TYR HB3 1 86 PHE HZ 4.800 . 6.000 4.084 3.259 5.305 . 0 0 "[ . 1 .]" 1
947 1 74 TYR HB3 1 90 CYS HA 3.300 . 4.600 3.279 2.618 4.128 . 0 0 "[ . 1 .]" 1
948 1 74 TYR HB3 1 90 CYS HB2 3.000 . 4.100 1.826 1.539 2.402 0.361 1 0 "[ . 1 .]" 1
949 1 74 TYR QD 1 75 ARG H 3.700 . 5.400 3.117 2.798 3.745 . 0 0 "[ . 1 .]" 1
950 1 74 TYR QD 1 76 PRO HA 3.700 . 5.400 3.666 3.093 5.168 . 0 0 "[ . 1 .]" 1
951 1 74 TYR QE 1 76 PRO HA 3.500 . 5.000 3.177 2.751 4.573 . 0 0 "[ . 1 .]" 1
952 1 75 ARG H 1 75 ARG QG 4.300 . 6.000 2.323 1.893 3.370 . 0 0 "[ . 1 .]" 1
953 1 75 ARG H 1 77 VAL QG 3.800 . 6.000 4.488 3.456 5.142 . 0 0 "[ . 1 .]" 1
954 1 75 ARG H 1 90 CYS HA 4.900 . 6.000 6.106 5.907 6.211 0.211 12 0 "[ . 1 .]" 1
955 1 75 ARG H 1 90 CYS HB2 4.900 . 6.000 5.425 4.760 5.648 . 0 0 "[ . 1 .]" 1
956 1 75 ARG HA 1 76 PRO HD3 2.800 . 3.800 2.331 2.219 2.506 . 0 0 "[ . 1 .]" 1
957 1 75 ARG HB2 1 76 PRO QB 3.700 . 6.000 4.843 4.669 5.072 . 0 0 "[ . 1 .]" 1
958 1 75 ARG HB3 1 76 PRO HD3 3.500 . 5.000 3.455 3.249 3.766 . 0 0 "[ . 1 .]" 1
959 1 75 ARG QD 1 76 PRO QB 4.400 . 6.000 5.433 5.355 5.485 . 0 0 "[ . 1 .]" 1
960 1 75 ARG QG 1 76 PRO QB 3.500 . 6.000 4.676 3.997 5.023 . 0 0 "[ . 1 .]" 1
961 1 75 ARG QG 1 76 PRO HD2 3.700 . 5.400 3.111 2.133 3.487 . 0 0 "[ . 1 .]" 1
962 1 75 ARG QG 1 76 PRO HD3 4.300 . 6.000 3.533 2.946 3.766 . 0 0 "[ . 1 .]" 1
963 1 75 ARG QG 1 77 VAL QG 3.400 . 4.900 3.689 2.470 4.247 . 0 0 "[ . 1 .]" 1
964 1 76 PRO HA 1 76 PRO HD3 3.700 . 5.400 3.960 3.926 4.002 . 0 0 "[ . 1 .]" 1
965 1 76 PRO HA 1 76 PRO QG 3.600 . 5.200 3.208 3.057 3.508 . 0 0 "[ . 1 .]" 1
966 1 76 PRO HA 1 77 VAL H 2.100 . 2.700 2.046 1.982 2.136 . 0 0 "[ . 1 .]" 1
967 1 76 PRO HA 1 77 VAL QG 4.700 . 6.000 3.032 2.695 3.309 . 0 0 "[ . 1 .]" 1
968 1 76 PRO HA 1 132 GLU QG 4.100 . 6.000 2.577 1.915 3.891 . 0 0 "[ . 1 .]" 1
969 1 76 PRO QB 1 76 PRO HD2 4.200 . 6.000 2.929 2.776 3.378 . 0 0 "[ . 1 .]" 1
970 1 76 PRO QB 1 76 PRO HD3 4.200 . 6.000 3.529 3.360 3.552 . 0 0 "[ . 1 .]" 1
971 1 76 PRO QB 1 76 PRO QG 2.900 . 3.900 1.962 1.930 1.981 . 0 0 "[ . 1 .]" 1
972 1 76 PRO QB 1 77 VAL H 4.200 . 5.600 3.284 3.056 3.485 . 0 0 "[ . 1 .]" 1
973 1 76 PRO QB 1 77 VAL QG 3.600 . 5.200 4.199 3.829 4.466 . 0 0 "[ . 1 .]" 1
974 1 76 PRO QB 1 78 ASP HB3 4.200 . 6.000 4.951 4.530 5.311 . 0 0 "[ . 1 .]" 1
975 1 76 PRO QB 1 79 GLN QG 3.000 . 6.000 5.688 4.749 8.967 2.967 12 1 "[ . 1 + .]" 1
976 1 76 PRO HD2 1 77 VAL QG 5.000 . 6.000 5.148 4.253 5.588 . 0 0 "[ . 1 .]" 1
977 1 76 PRO QG 1 77 VAL H 3.800 . 5.600 4.777 4.680 4.866 . 0 0 "[ . 1 .]" 1
978 1 76 PRO QG 1 77 VAL QG 3.400 . 6.000 5.169 4.606 5.444 . 0 0 "[ . 1 .]" 1
979 1 76 PRO QG 1 139 ARG QD 3.700 . 6.000 4.931 4.142 5.811 . 0 0 "[ . 1 .]" 1
980 1 77 VAL H 1 77 VAL HB 2.800 . 3.800 3.220 2.879 3.767 . 0 0 "[ . 1 .]" 1
981 1 77 VAL H 1 77 VAL QG 2.300 . 3.000 1.889 1.712 2.110 . 0 0 "[ . 1 .]" 1
982 1 77 VAL H 1 78 ASP H 3.300 . 4.700 4.320 3.926 4.448 . 0 0 "[ . 1 .]" 1
983 1 77 VAL H 1 79 GLN H 4.800 . 6.000 5.680 5.284 6.145 0.145 12 0 "[ . 1 .]" 1
984 1 77 VAL H 1 86 PHE QE 5.100 . 6.000 4.654 3.342 5.394 . 0 0 "[ . 1 .]" 1
985 1 77 VAL H 1 129 TYR HA 4.300 . 6.000 4.809 4.079 5.281 . 0 0 "[ . 1 .]" 1
986 1 77 VAL H 1 132 GLU QB 3.200 . 4.500 2.733 2.412 3.296 . 0 0 "[ . 1 .]" 1
987 1 77 VAL H 1 132 GLU QG 3.100 . 4.300 2.674 1.854 4.138 0.046 11 0 "[ . 1 .]" 1
988 1 77 VAL HA 1 77 VAL HB 2.900 . 4.000 2.431 2.338 2.574 . 0 0 "[ . 1 .]" 1
989 1 77 VAL HA 1 77 VAL QG 3.300 . 4.300 2.342 2.203 2.444 . 0 0 "[ . 1 .]" 1
990 1 77 VAL HA 1 78 ASP H 2.900 . 4.000 2.136 2.034 2.345 . 0 0 "[ . 1 .]" 1
991 1 77 VAL HA 1 80 TYR H 5.100 . 6.000 4.338 3.532 6.091 0.091 12 0 "[ . 1 .]" 1
992 1 77 VAL HA 1 80 TYR HA 5.000 . 6.000 5.901 4.093 6.181 0.181 3 0 "[ . 1 .]" 1
993 1 77 VAL HA 1 80 TYR QD 3.200 . 6.000 3.219 1.671 6.066 0.066 11 0 "[ . 1 .]" 1
994 1 77 VAL HB 1 78 ASP H 3.900 . 5.800 3.730 2.684 4.323 . 0 0 "[ . 1 .]" 1
995 1 77 VAL HB 1 78 ASP HA 4.800 . 6.000 5.242 3.976 5.762 . 0 0 "[ . 1 .]" 1
996 1 77 VAL HB 1 86 PHE QE 4.200 . 6.000 3.338 2.257 4.462 . 0 0 "[ . 1 .]" 1
997 1 77 VAL HB 1 132 GLU QB 2.300 . 6.000 4.861 4.598 5.215 . 0 0 "[ . 1 .]" 1
998 1 77 VAL QG 1 78 ASP H 3.100 . 4.300 2.774 2.383 3.335 . 0 0 "[ . 1 .]" 1
999 1 77 VAL QG 1 78 ASP HA 3.600 . 5.300 3.298 2.974 4.150 . 0 0 "[ . 1 .]" 1
1000 1 77 VAL QG 1 78 ASP HB2 4.300 . 6.000 4.202 3.821 4.988 . 0 0 "[ . 1 .]" 1
1001 1 77 VAL QG 1 78 ASP HB3 3.600 . 5.200 4.344 3.852 4.657 . 0 0 "[ . 1 .]" 1
1002 1 77 VAL QG 1 79 GLN H 4.900 . 6.000 3.822 2.713 4.476 . 0 0 "[ . 1 .]" 1
1003 1 77 VAL QG 1 80 TYR QD 4.200 . 6.000 2.586 1.653 3.449 0.247 15 0 "[ . 1 .]" 1
1004 1 77 VAL QG 1 86 PHE HA 3.400 . 6.000 4.981 4.477 5.295 . 0 0 "[ . 1 .]" 1
1005 1 77 VAL QG 1 128 GLN HG3 2.800 . 6.000 5.443 4.006 6.053 0.053 3 0 "[ . 1 .]" 1
1006 1 77 VAL QG 1 129 TYR HA 3.500 . 5.100 2.524 2.152 3.068 . 0 0 "[ . 1 .]" 1
1007 1 77 VAL QG 1 129 TYR HB2 4.100 . 6.000 3.323 2.512 4.073 . 0 0 "[ . 1 .]" 1
1008 1 77 VAL QG 1 129 TYR QD 3.100 . 6.000 2.242 1.697 4.091 . 0 0 "[ . 1 .]" 1
1009 1 77 VAL QG 1 132 GLU HA 5.000 . 6.000 4.951 4.614 5.281 . 0 0 "[ . 1 .]" 1
1010 1 77 VAL QG 1 132 GLU QG 4.700 . 6.000 2.910 2.217 3.627 . 0 0 "[ . 1 .]" 1
1011 1 77 VAL QG 1 133 SER H 4.000 . 6.000 4.103 3.750 4.714 . 0 0 "[ . 1 .]" 1
1012 1 77 VAL QG 1 133 SER HA 3.500 . 5.100 4.580 4.210 5.094 . 0 0 "[ . 1 .]" 1
1013 1 77 VAL QG 1 133 SER HB2 3.700 . 5.400 4.794 4.233 6.013 0.613 12 1 "[ . 1 + .]" 1
1014 1 77 VAL QG 1 133 SER HB3 4.600 . 6.000 5.460 4.961 5.963 . 0 0 "[ . 1 .]" 1
1015 1 77 VAL QG 1 136 ALA MB 1.700 . 6.000 5.553 5.405 5.794 . 0 0 "[ . 1 .]" 1
1016 1 78 ASP H 1 78 ASP HA 2.500 . 3.300 2.795 2.708 2.912 . 0 0 "[ . 1 .]" 1
1017 1 78 ASP H 1 78 ASP HB2 3.000 . 4.100 3.768 3.486 4.081 . 0 0 "[ . 1 .]" 1
1018 1 78 ASP H 1 78 ASP HB3 2.800 . 3.800 3.069 2.630 3.304 . 0 0 "[ . 1 .]" 1
1019 1 78 ASP HA 1 78 ASP HB2 2.400 . 3.100 2.318 2.232 2.370 . 0 0 "[ . 1 .]" 1
1020 1 78 ASP HA 1 78 ASP HB3 2.900 . 4.000 2.940 2.516 3.033 . 0 0 "[ . 1 .]" 1
1021 1 78 ASP HA 1 79 GLN HA 3.900 . 5.800 4.635 4.284 4.776 . 0 0 "[ . 1 .]" 1
1022 1 78 ASP HA 1 79 GLN HE21 5.400 . 6.000 5.861 4.721 6.117 0.117 4 0 "[ . 1 .]" 1
1023 1 78 ASP HA 1 79 GLN HG3 5.500 . 6.000 5.906 3.513 6.485 0.485 7 0 "[ . 1 .]" 1
1024 1 78 ASP HA 1 80 TYR H 4.000 . 6.000 3.535 3.184 4.781 . 0 0 "[ . 1 .]" 1
1025 1 78 ASP HB2 1 129 TYR HA 3.700 . 6.000 6.187 6.094 6.280 0.280 11 0 "[ . 1 .]" 1
1026 1 79 GLN H 1 79 GLN HA 2.800 . 3.800 2.852 2.260 2.929 . 0 0 "[ . 1 .]" 1
1027 1 79 GLN H 1 79 GLN HB2 3.200 . 4.500 3.473 2.786 3.788 . 0 0 "[ . 1 .]" 1
1028 1 79 GLN H 1 79 GLN HB3 3.000 . 4.100 3.067 2.734 4.001 . 0 0 "[ . 1 .]" 1
1029 1 79 GLN H 1 79 GLN HG2 2.100 . 6.000 1.868 1.478 3.109 . 0 0 "[ . 1 .]" 1
1030 1 79 GLN H 1 80 TYR H 2.300 . 3.000 2.613 1.762 3.117 0.117 11 0 "[ . 1 .]" 1
1031 1 79 GLN H 1 80 TYR QD 3.900 . 5.800 3.755 2.831 5.422 . 0 0 "[ . 1 .]" 1
1032 1 79 GLN HA 1 79 GLN HB3 2.800 . 3.800 2.366 2.258 2.438 . 0 0 "[ . 1 .]" 1
1033 1 79 GLN HA 1 79 GLN HG2 3.400 . 4.800 3.467 2.343 4.167 . 0 0 "[ . 1 .]" 1
1034 1 79 GLN HA 1 79 GLN HG3 3.600 . 5.200 3.812 3.037 3.987 . 0 0 "[ . 1 .]" 1
1035 1 79 GLN HA 1 80 TYR H 3.300 . 4.700 3.053 2.166 3.426 . 0 0 "[ . 1 .]" 1
1036 1 79 GLN HA 1 80 TYR HA 4.800 . 6.000 4.586 4.386 4.756 . 0 0 "[ . 1 .]" 1
1037 1 79 GLN HB2 1 79 GLN HG3 2.600 . 3.400 2.371 2.264 2.986 . 0 0 "[ . 1 .]" 1
1038 1 79 GLN HB3 1 79 GLN HG2 2.600 . 3.400 2.577 2.293 2.980 . 0 0 "[ . 1 .]" 1
1039 1 79 GLN HB3 1 80 TYR H 5.900 . 6.000 4.484 4.087 4.625 . 0 0 "[ . 1 .]" 1
1040 1 79 GLN HG2 1 80 TYR H 5.200 . 6.000 3.844 3.412 5.276 . 0 0 "[ . 1 .]" 1
1041 1 79 GLN HG2 1 80 TYR QB 5.600 . 6.000 5.027 4.229 5.976 . 0 0 "[ . 1 .]" 1
1042 1 79 GLN HG3 1 80 TYR QB 5.400 . 6.000 4.914 3.866 6.047 0.047 12 0 "[ . 1 .]" 1
1043 1 80 TYR H 1 80 TYR HA 3.000 . 4.100 2.917 2.814 2.945 . 0 0 "[ . 1 .]" 1
1044 1 80 TYR H 1 80 TYR QB . . 3.300 2.322 2.001 2.775 . 0 0 "[ . 1 .]" 1
1045 1 80 TYR H 1 80 TYR QD 3.000 . 4.100 3.079 2.564 4.029 . 0 0 "[ . 1 .]" 1
1046 1 80 TYR H 1 81 SER H 4.700 . 6.000 4.019 2.156 4.615 . 0 0 "[ . 1 .]" 1
1047 1 80 TYR HA 1 80 TYR QB 3.100 . 4.300 2.430 2.145 2.541 . 0 0 "[ . 1 .]" 1
1048 1 80 TYR HA 1 80 TYR QD 3.100 . 4.300 2.907 2.182 3.657 . 0 0 "[ . 1 .]" 1
1049 1 80 TYR HA 1 81 SER H 3.000 . 4.100 2.553 2.120 3.532 . 0 0 "[ . 1 .]" 1
1050 1 80 TYR HA 1 81 SER HA 4.400 . 6.000 4.511 4.297 5.310 . 0 0 "[ . 1 .]" 1
1051 1 80 TYR HA 1 81 SER QB 4.300 . 6.000 4.298 3.888 4.578 . 0 0 "[ . 1 .]" 1
1052 1 80 TYR HA 1 82 ASN H 5.100 . 6.000 4.259 3.636 5.655 . 0 0 "[ . 1 .]" 1
1053 1 80 TYR QB 1 80 TYR QD 3.200 . 4.500 2.137 2.115 2.166 . 0 0 "[ . 1 .]" 1
1054 1 80 TYR QB 1 81 SER H 3.400 . 4.900 2.845 2.300 3.321 . 0 0 "[ . 1 .]" 1
1055 1 80 TYR QB 1 81 SER HA 4.700 . 6.000 4.378 3.950 4.718 . 0 0 "[ . 1 .]" 1
1056 1 80 TYR QB 1 82 ASN H 3.300 . 4.600 3.136 2.473 4.067 . 0 0 "[ . 1 .]" 1
1057 1 80 TYR QD 1 81 SER H 4.200 . 6.000 3.763 2.792 4.698 . 0 0 "[ . 1 .]" 1
1058 1 81 SER H 1 81 SER QB 3.400 . 4.900 2.647 2.347 3.010 . 0 0 "[ . 1 .]" 1
1059 1 81 SER H 1 82 ASN H 2.800 . 3.800 2.353 1.796 2.907 0.004 6 0 "[ . 1 .]" 1
1060 1 81 SER HA 1 81 SER QB 2.600 . 3.400 2.348 2.177 2.428 . 0 0 "[ . 1 .]" 1
1061 1 81 SER HA 1 82 ASN H 3.400 . 4.800 3.375 2.984 3.600 . 0 0 "[ . 1 .]" 1
1062 1 81 SER QB 1 82 ASN H 3.800 . 5.600 3.035 2.155 3.790 . 0 0 "[ . 1 .]" 1
1063 1 82 ASN H 1 82 ASN HB2 3.000 . 4.100 2.765 2.484 3.956 . 0 0 "[ . 1 .]" 1
1064 1 82 ASN H 1 82 ASN HB3 4.800 . 6.000 3.507 2.670 3.789 . 0 0 "[ . 1 .]" 1
1065 1 82 ASN HA 1 82 ASN HB2 2.900 . 3.900 2.888 2.497 3.032 . 0 0 "[ . 1 .]" 1
1066 1 82 ASN HA 1 82 ASN HB3 2.600 . 3.500 2.554 2.353 3.029 . 0 0 "[ . 1 .]" 1
1067 1 82 ASN HA 1 83 GLN H 2.900 . 4.000 2.245 2.108 2.483 . 0 0 "[ . 1 .]" 1
1068 1 82 ASN HA 1 83 GLN HG2 5.200 . 6.000 5.584 4.564 6.091 0.091 13 0 "[ . 1 .]" 1
1069 1 82 ASN HB2 1 83 GLN H 3.300 . 4.700 3.979 2.518 4.486 . 0 0 "[ . 1 .]" 1
1070 1 82 ASN HB2 1 84 ASN H 4.500 . 6.000 5.524 4.082 6.184 0.184 1 0 "[ . 1 .]" 1
1071 1 82 ASN HB2 1 85 SER H 5.000 . 6.000 4.187 2.996 5.290 . 0 0 "[ . 1 .]" 1
1072 1 82 ASN HB2 1 86 PHE H 3.400 . 4.800 4.315 3.687 5.567 0.767 10 2 "[ . + - .]" 1
1073 1 82 ASN HB3 1 83 GLN H 3.100 . 4.300 3.386 2.649 4.198 . 0 0 "[ . 1 .]" 1
1074 1 82 ASN HB3 1 85 SER HA 3.900 . 5.800 4.876 4.263 6.312 0.512 3 1 "[ + . 1 .]" 1
1075 1 82 ASN HD21 1 83 GLN HE21 2.300 . 6.000 5.231 4.276 6.075 0.075 15 0 "[ . 1 .]" 1
1076 1 83 GLN H 1 84 ASN H 2.700 . 3.600 2.666 2.564 2.947 . 0 0 "[ . 1 .]" 1
1077 1 83 GLN H 1 84 ASN HA 5.200 . 6.000 5.178 5.067 5.427 . 0 0 "[ . 1 .]" 1
1078 1 83 GLN H 1 84 ASN QD 4.900 . 6.000 5.216 3.931 5.873 . 0 0 "[ . 1 .]" 1
1079 1 83 GLN H 1 85 SER H 4.600 . 6.000 3.529 3.046 4.038 . 0 0 "[ . 1 .]" 1
1080 1 83 GLN H 1 86 PHE HB3 3.200 . 6.000 5.237 4.731 5.840 . 0 0 "[ . 1 .]" 1
1081 1 83 GLN HA 1 83 GLN HG2 3.600 . 5.200 3.527 3.434 3.764 . 0 0 "[ . 1 .]" 1
1082 1 83 GLN HA 1 83 GLN HG3 3.100 . 4.300 2.862 2.173 4.258 . 0 0 "[ . 1 .]" 1
1083 1 83 GLN HA 1 87 VAL HB 3.800 . 5.600 4.635 3.396 5.681 0.081 6 0 "[ . 1 .]" 1
1084 1 83 GLN HA 1 126 VAL HA 5.300 . 6.000 5.558 4.844 6.017 0.017 5 0 "[ . 1 .]" 1
1085 1 83 GLN HA 1 129 TYR HB2 4.000 . 6.000 4.920 3.672 5.760 . 0 0 "[ . 1 .]" 1
1086 1 83 GLN HA 1 129 TYR HB3 3.000 . 6.000 5.282 3.873 6.017 0.017 11 0 "[ . 1 .]" 1
1087 1 83 GLN HA 1 129 TYR QD 3.800 . 5.600 3.816 2.885 4.509 . 0 0 "[ . 1 .]" 1
1088 1 83 GLN HE21 1 83 GLN HG3 4.200 . 6.000 3.086 2.382 3.472 . 0 0 "[ . 1 .]" 1
1089 1 83 GLN HE21 1 85 SER HB2 4.600 . 6.000 5.859 4.669 6.153 0.153 11 0 "[ . 1 .]" 1
1090 1 83 GLN HE21 1 85 SER HB3 4.800 . 6.000 5.843 5.292 6.314 0.314 1 0 "[ . 1 .]" 1
1091 1 83 GLN HE21 1 86 PHE H 5.400 . 6.000 5.566 5.226 6.017 0.017 7 0 "[ . 1 .]" 1
1092 1 83 GLN HG2 1 87 VAL HB 4.100 . 6.000 5.684 4.403 6.105 0.105 12 0 "[ . 1 .]" 1
1093 1 83 GLN HG2 1 129 TYR QD 4.600 . 6.000 4.641 2.859 6.008 0.008 6 0 "[ . 1 .]" 1
1094 1 83 GLN HG3 1 86 PHE H 4.000 . 6.000 6.068 5.667 6.835 0.835 3 2 "[ + . -1 .]" 1
1095 1 83 GLN HG3 1 87 VAL H 4.100 . 6.000 5.745 5.018 6.573 0.573 3 1 "[ + . 1 .]" 1
1096 1 83 GLN HG3 1 87 VAL QG 4.100 . 6.000 3.870 2.868 4.563 . 0 0 "[ . 1 .]" 1
1097 1 83 GLN HG3 1 129 TYR HB2 1.900 . 6.000 5.393 3.725 6.055 0.055 11 0 "[ . 1 .]" 1
1098 1 83 GLN HG3 1 129 TYR HB3 2.300 . 6.000 5.027 3.576 5.996 . 0 0 "[ . 1 .]" 1
1099 1 83 GLN HG3 1 129 TYR QD 5.200 . 6.000 3.873 1.924 5.262 . 0 0 "[ . 1 .]" 1
1100 1 83 GLN HG3 1 129 TYR QE 3.300 . 4.700 3.507 1.975 5.663 0.963 6 1 "[ .+ 1 .]" 1
1101 1 84 ASN H 1 84 ASN HA 2.700 . 3.600 2.830 2.786 2.885 . 0 0 "[ . 1 .]" 1
1102 1 84 ASN H 1 84 ASN QB 2.700 . 3.600 2.498 2.144 2.703 . 0 0 "[ . 1 .]" 1
1103 1 84 ASN H 1 85 SER H 2.300 . 3.000 2.553 2.328 2.770 . 0 0 "[ . 1 .]" 1
1104 1 84 ASN H 1 87 VAL HB 2.900 . 6.000 4.823 4.108 6.179 0.179 13 0 "[ . 1 .]" 1
1105 1 84 ASN HA 1 85 SER H 2.700 . 3.600 3.474 3.432 3.513 . 0 0 "[ . 1 .]" 1
1106 1 84 ASN HA 1 86 PHE H 3.700 . 5.400 3.890 3.739 4.232 . 0 0 "[ . 1 .]" 1
1107 1 84 ASN HA 1 87 VAL H 3.600 . 5.200 3.161 2.896 3.642 . 0 0 "[ . 1 .]" 1
1108 1 84 ASN HA 1 87 VAL HB 2.900 . 4.000 2.806 1.873 4.433 0.433 12 0 "[ . 1 .]" 1
1109 1 84 ASN HA 1 87 VAL QG 3.400 . 4.900 2.915 1.705 3.436 0.295 6 0 "[ . 1 .]" 1
1110 1 84 ASN QB 1 85 SER H 3.400 . 4.000 3.036 2.354 3.622 . 0 0 "[ . 1 .]" 1
1111 1 84 ASN QB 1 85 SER HA 3.500 . 5.000 4.196 3.729 4.531 . 0 0 "[ . 1 .]" 1
1112 1 84 ASN QB 1 87 VAL QG 4.400 . 6.000 4.047 3.004 4.763 . 0 0 "[ . 1 .]" 1
1113 1 84 ASN QB 1 88 HIS HA 4.200 . 6.000 5.432 4.848 5.862 . 0 0 "[ . 1 .]" 1
1114 1 84 ASN QD 1 85 SER H 3.900 . 5.800 3.728 2.969 4.371 . 0 0 "[ . 1 .]" 1
1115 1 84 ASN QD 1 85 SER HA 3.900 . 6.000 4.605 3.136 5.860 . 0 0 "[ . 1 .]" 1
1116 1 85 SER H 1 85 SER HA 2.600 . 3.500 2.800 2.727 2.835 . 0 0 "[ . 1 .]" 1
1117 1 85 SER H 1 86 PHE H 2.900 . 3.900 2.627 2.518 2.899 . 0 0 "[ . 1 .]" 1
1118 1 85 SER H 1 87 VAL H 3.800 . 5.600 4.134 3.963 4.329 . 0 0 "[ . 1 .]" 1
1119 1 85 SER H 1 88 HIS H 2.500 . 6.000 5.210 5.008 5.492 . 0 0 "[ . 1 .]" 1
1120 1 85 SER HA 1 87 VAL H 5.500 . 6.000 4.956 4.464 5.149 . 0 0 "[ . 1 .]" 1
1121 1 85 SER HA 1 88 HIS H 2.800 . 6.000 5.436 4.409 5.802 . 0 0 "[ . 1 .]" 1
1122 1 85 SER HA 1 88 HIS QB 3.500 . 5.000 4.354 3.468 4.793 . 0 0 "[ . 1 .]" 1
1123 1 85 SER HA 1 89 ASP H 3.400 . 4.900 4.594 4.291 4.807 . 0 0 "[ . 1 .]" 1
1124 1 85 SER HA 1 89 ASP HA 3.800 . 6.000 5.925 5.474 6.087 0.087 7 0 "[ . 1 .]" 1
1125 1 86 PHE H 1 86 PHE HB3 3.000 . 4.200 2.384 2.125 2.628 . 0 0 "[ . 1 .]" 1
1126 1 86 PHE H 1 87 VAL H 3.200 . 4.500 2.281 2.133 2.501 . 0 0 "[ . 1 .]" 1
1127 1 86 PHE H 1 87 VAL HA 5.200 . 6.000 4.937 4.826 5.118 . 0 0 "[ . 1 .]" 1
1128 1 86 PHE H 1 87 VAL QG 5.200 . 6.000 3.825 3.248 4.076 . 0 0 "[ . 1 .]" 1
1129 1 86 PHE H 1 88 HIS H 3.800 . 5.600 4.631 4.472 4.818 . 0 0 "[ . 1 .]" 1
1130 1 86 PHE HA 1 87 VAL H 4.200 . 6.000 3.532 3.467 3.562 . 0 0 "[ . 1 .]" 1
1131 1 86 PHE HB2 1 87 VAL QG 4.300 . 6.000 4.508 4.072 4.774 . 0 0 "[ . 1 .]" 1
1132 1 86 PHE HB3 1 87 VAL H 3.200 . 4.500 2.602 2.245 2.996 . 0 0 "[ . 1 .]" 1
1133 1 86 PHE HB3 1 87 VAL QG 3.600 . 6.000 3.128 2.615 3.762 . 0 0 "[ . 1 .]" 1
1134 1 86 PHE QE 1 87 VAL QG 3.500 . 6.000 3.336 2.415 4.341 . 0 0 "[ . 1 .]" 1
1135 1 86 PHE HZ 1 132 GLU QG 2.700 . 6.000 5.098 4.396 5.937 . 0 0 "[ . 1 .]" 1
1136 1 87 VAL H 1 87 VAL HB 2.600 . 3.500 2.516 2.111 3.618 0.118 13 0 "[ . 1 .]" 1
1137 1 87 VAL H 1 87 VAL QG 3.200 . 4.500 2.296 1.902 2.588 0.098 12 0 "[ . 1 .]" 1
1138 1 87 VAL H 1 88 HIS H 3.100 . 4.300 3.082 2.971 3.220 . 0 0 "[ . 1 .]" 1
1139 1 87 VAL H 1 89 ASP H 4.100 . 6.000 3.663 3.536 3.920 . 0 0 "[ . 1 .]" 1
1140 1 87 VAL H 1 89 ASP HB3 3.800 . 5.600 4.690 4.411 6.112 0.512 3 1 "[ + . 1 .]" 1
1141 1 87 VAL H 1 129 TYR QE 3.700 . 6.000 5.577 4.403 6.072 0.072 11 0 "[ . 1 .]" 1
1142 1 87 VAL HA 1 87 VAL QG 2.900 . 3.800 2.138 2.078 2.318 . 0 0 "[ . 1 .]" 1
1143 1 87 VAL HA 1 88 HIS H 2.700 . 3.600 3.581 3.526 3.618 0.018 6 0 "[ . 1 .]" 1
1144 1 87 VAL HA 1 90 CYS H 4.700 . 6.000 3.342 3.049 3.504 . 0 0 "[ . 1 .]" 1
1145 1 87 VAL HA 1 90 CYS HB2 4.600 . 6.000 4.540 3.392 4.818 . 0 0 "[ . 1 .]" 1
1146 1 87 VAL HA 1 90 CYS HB3 3.000 . 4.100 3.015 1.949 3.256 . 0 0 "[ . 1 .]" 1
1147 1 87 VAL HA 1 91 VAL H 4.600 . 6.000 4.804 4.471 5.155 . 0 0 "[ . 1 .]" 1
1148 1 87 VAL HA 1 91 VAL MG1 3.300 . 4.700 4.179 3.848 4.569 . 0 0 "[ . 1 .]" 1
1149 1 87 VAL HA 1 125 CYS HB2 3.800 . 5.600 4.307 3.903 4.950 . 0 0 "[ . 1 .]" 1
1150 1 87 VAL HA 1 125 CYS HB3 3.600 . 5.200 3.280 2.852 3.919 . 0 0 "[ . 1 .]" 1
1151 1 87 VAL HA 1 126 VAL HA 3.800 . 5.600 4.910 4.726 5.155 . 0 0 "[ . 1 .]" 1
1152 1 87 VAL HB 1 87 VAL QG 2.100 . 2.600 1.887 1.871 1.895 . 0 0 "[ . 1 .]" 1
1153 1 87 VAL HB 1 88 HIS H 2.600 . 3.400 2.438 2.075 3.232 . 0 0 "[ . 1 .]" 1
1154 1 87 VAL HB 1 90 CYS HB3 4.700 . 6.000 5.733 4.763 6.119 0.119 2 0 "[ . 1 .]" 1
1155 1 87 VAL HB 1 91 VAL MG1 2.500 . 6.000 5.052 3.961 5.535 . 0 0 "[ . 1 .]" 1
1156 1 87 VAL QG 1 88 HIS H 2.900 . 4.000 1.989 1.288 2.551 0.512 6 1 "[ .+ 1 .]" 1
1157 1 87 VAL QG 1 88 HIS QB 5.100 . 6.000 3.237 2.680 4.139 . 0 0 "[ . 1 .]" 1
1158 1 87 VAL QG 1 89 ASP H 5.300 . 6.000 3.985 3.684 4.147 . 0 0 "[ . 1 .]" 1
1159 1 87 VAL QG 1 89 ASP HB3 4.200 . 6.000 5.282 4.904 6.364 0.364 3 0 "[ . 1 .]" 1
1160 1 87 VAL QG 1 90 CYS H 4.000 . 6.000 4.230 4.005 4.447 . 0 0 "[ . 1 .]" 1
1161 1 87 VAL QG 1 90 CYS HB3 3.900 . 5.800 4.149 3.324 4.451 . 0 0 "[ . 1 .]" 1
1162 1 87 VAL QG 1 91 VAL H 3.200 . 6.000 4.652 4.275 5.174 . 0 0 "[ . 1 .]" 1
1163 1 87 VAL QG 1 121 VAL QG 3.100 . 6.000 4.919 4.563 5.495 . 0 0 "[ . 1 .]" 1
1164 1 87 VAL QG 1 125 CYS H 4.300 . 6.000 3.618 3.214 4.513 . 0 0 "[ . 1 .]" 1
1165 1 87 VAL QG 1 125 CYS HB3 2.600 . 6.000 1.702 1.274 3.035 . 0 0 "[ . 1 .]" 1
1166 1 87 VAL QG 1 126 VAL H 3.200 . 4.500 2.471 2.237 3.193 . 0 0 "[ . 1 .]" 1
1167 1 87 VAL QG 1 126 VAL HA 3.000 . 4.100 1.858 1.827 1.920 0.073 12 0 "[ . 1 .]" 1
1168 1 87 VAL QG 1 127 THR HG1 3.400 . 6.000 5.073 4.850 5.445 . 0 0 "[ . 1 .]" 1
1169 1 87 VAL QG 1 129 TYR H 5.400 . 6.000 3.628 3.248 3.954 . 0 0 "[ . 1 .]" 1
1170 1 88 HIS H 1 88 HIS HA 2.500 . 3.300 2.702 2.629 2.743 . 0 0 "[ . 1 .]" 1
1171 1 88 HIS H 1 88 HIS QB 2.400 . 3.100 2.263 2.200 2.840 . 0 0 "[ . 1 .]" 1
1172 1 88 HIS H 1 88 HIS HD2 3.600 . 5.200 4.998 3.044 5.203 0.003 3 0 "[ . 1 .]" 1
1173 1 88 HIS H 1 89 ASP H 2.900 . 4.000 2.943 2.836 3.159 . 0 0 "[ . 1 .]" 1
1174 1 88 HIS H 1 90 CYS H 3.500 . 5.000 4.447 4.190 4.689 . 0 0 "[ . 1 .]" 1
1175 1 88 HIS H 1 123 GLN HA 4.000 . 6.000 6.507 6.245 7.835 1.835 9 2 "[ . +- .]" 1
1176 1 88 HIS H 1 126 VAL HA 2.200 . 6.000 6.095 5.707 6.320 0.320 10 0 "[ . 1 .]" 1
1177 1 88 HIS HA 1 88 HIS QB 2.800 . 3.700 2.343 2.190 2.383 . 0 0 "[ . 1 .]" 1
1178 1 88 HIS HA 1 91 VAL H 4.200 . 6.000 3.598 3.254 4.145 . 0 0 "[ . 1 .]" 1
1179 1 88 HIS HA 1 91 VAL HB 4.300 . 6.000 4.976 4.607 5.772 . 0 0 "[ . 1 .]" 1
1180 1 88 HIS HA 1 91 VAL MG1 2.900 . 4.000 2.576 2.129 3.422 . 0 0 "[ . 1 .]" 1
1181 1 88 HIS HA 1 91 VAL MG2 3.100 . 4.300 2.704 2.360 3.144 . 0 0 "[ . 1 .]" 1
1182 1 88 HIS HA 1 92 ASN HB2 4.300 . 6.000 5.533 4.967 6.045 0.045 6 0 "[ . 1 .]" 1
1183 1 88 HIS QB 1 89 ASP H 2.900 . 4.000 2.933 2.653 3.089 . 0 0 "[ . 1 .]" 1
1184 1 88 HIS QB 1 89 ASP HB3 4.900 . 6.000 5.100 4.874 5.588 . 0 0 "[ . 1 .]" 1
1185 1 88 HIS HD2 1 89 ASP H 3.200 . 4.400 4.238 3.582 4.463 0.063 7 0 "[ . 1 .]" 1
1186 1 89 ASP H 1 89 ASP HA 3.000 . 4.100 2.876 2.816 2.908 . 0 0 "[ . 1 .]" 1
1187 1 89 ASP H 1 89 ASP HB2 2.500 . 3.300 2.598 2.212 2.714 . 0 0 "[ . 1 .]" 1
1188 1 89 ASP H 1 89 ASP HB3 2.600 . 3.500 2.561 2.403 3.497 . 0 0 "[ . 1 .]" 1
1189 1 89 ASP H 1 90 CYS H 2.900 . 3.900 2.551 2.423 2.701 . 0 0 "[ . 1 .]" 1
1190 1 89 ASP H 1 90 CYS HB2 6.000 . 6.000 5.997 5.654 6.171 0.171 7 0 "[ . 1 .]" 1
1191 1 89 ASP H 1 92 ASN HB2 4.500 . 6.000 4.933 4.563 5.313 . 0 0 "[ . 1 .]" 1
1192 1 89 ASP HA 1 89 ASP HB2 2.700 . 3.600 2.497 2.413 2.994 . 0 0 "[ . 1 .]" 1
1193 1 89 ASP HA 1 89 ASP HB3 3.000 . 4.100 2.992 2.573 3.029 . 0 0 "[ . 1 .]" 1
1194 1 89 ASP HA 1 90 CYS H 3.800 . 5.600 3.492 3.302 3.541 . 0 0 "[ . 1 .]" 1
1195 1 89 ASP HA 1 92 ASN H 3.600 . 5.300 3.004 2.624 3.247 . 0 0 "[ . 1 .]" 1
1196 1 89 ASP HA 1 92 ASN HA 5.000 . 6.000 4.832 4.241 5.193 . 0 0 "[ . 1 .]" 1
1197 1 89 ASP HA 1 92 ASN HB2 2.800 . 3.800 2.382 1.982 2.969 . 0 0 "[ . 1 .]" 1
1198 1 89 ASP HA 1 92 ASN HB3 3.600 . 5.200 3.125 1.969 4.122 0.031 11 0 "[ . 1 .]" 1
1199 1 89 ASP HA 1 93 ILE H 4.500 . 6.000 4.567 4.303 4.732 . 0 0 "[ . 1 .]" 1
1200 1 89 ASP HA 1 93 ILE MD 3.900 . 5.800 4.004 3.862 4.153 . 0 0 "[ . 1 .]" 1
1201 1 89 ASP HA 1 93 ILE QG 4.300 . 6.000 4.091 3.945 4.210 . 0 0 "[ . 1 .]" 1
1202 1 89 ASP HA 1 93 ILE MG 5.100 . 6.000 6.398 6.310 6.453 0.453 4 0 "[ . 1 .]" 1
1203 1 89 ASP HB3 1 90 CYS H 3.000 . 4.100 2.795 2.516 4.034 . 0 0 "[ . 1 .]" 1
1204 1 89 ASP HB3 1 90 CYS HB2 4.200 . 6.000 5.594 5.127 6.336 0.336 3 0 "[ . 1 .]" 1
1205 1 89 ASP HB3 1 90 CYS HB3 3.000 . 6.000 4.307 4.043 5.358 . 0 0 "[ . 1 .]" 1
1206 1 90 CYS H 1 90 CYS HA 3.000 . 4.100 2.804 2.765 2.915 . 0 0 "[ . 1 .]" 1
1207 1 90 CYS H 1 90 CYS HB2 3.600 . 5.200 3.503 3.205 3.647 . 0 0 "[ . 1 .]" 1
1208 1 90 CYS H 1 90 CYS HB3 2.700 . 3.600 2.258 1.969 2.555 . 0 0 "[ . 1 .]" 1
1209 1 90 CYS H 1 91 VAL H 2.800 . 3.800 2.523 2.073 2.622 . 0 0 "[ . 1 .]" 1
1210 1 90 CYS H 1 91 VAL HB 5.700 . 6.000 6.075 5.607 6.212 0.212 9 0 "[ . 1 .]" 1
1211 1 90 CYS H 1 93 ILE H 4.100 . 6.000 4.900 4.666 5.110 . 0 0 "[ . 1 .]" 1
1212 1 90 CYS H 1 93 ILE HB 4.300 . 6.000 5.959 5.808 6.122 0.122 12 0 "[ . 1 .]" 1
1213 1 90 CYS H 1 93 ILE MD 4.100 . 6.000 4.818 4.556 5.105 . 0 0 "[ . 1 .]" 1
1214 1 90 CYS H 1 93 ILE MG 4.100 . 6.000 6.304 6.213 6.388 0.388 11 0 "[ . 1 .]" 1
1215 1 90 CYS HA 1 90 CYS HB3 2.700 . 3.600 2.638 2.593 2.834 . 0 0 "[ . 1 .]" 1
1216 1 90 CYS HA 1 91 VAL H 3.900 . 5.800 3.468 3.433 3.513 . 0 0 "[ . 1 .]" 1
1217 1 90 CYS HA 1 93 ILE HB 3.800 . 5.700 3.586 3.376 3.783 . 0 0 "[ . 1 .]" 1
1218 1 90 CYS HA 1 93 ILE MD 6.000 . 6.000 3.493 3.281 3.855 . 0 0 "[ . 1 .]" 1
1219 1 90 CYS HA 1 93 ILE QG 2.900 . 4.000 2.094 1.943 2.317 . 0 0 "[ . 1 .]" 1
1220 1 90 CYS HA 1 93 ILE MG 4.200 . 6.000 4.150 4.031 4.284 . 0 0 "[ . 1 .]" 1
1221 1 90 CYS HB2 1 91 VAL H 3.600 . 5.200 4.135 3.950 4.268 . 0 0 "[ . 1 .]" 1
1222 1 90 CYS HB2 1 91 VAL MG1 4.300 . 6.000 4.237 4.145 4.592 . 0 0 "[ . 1 .]" 1
1223 1 90 CYS HB2 1 121 VAL QG 4.000 . 6.000 5.583 5.261 6.084 0.084 1 0 "[ . 1 .]" 1
1224 1 90 CYS HB3 1 91 VAL H 3.400 . 4.900 3.763 3.359 3.880 . 0 0 "[ . 1 .]" 1
1225 1 90 CYS HB3 1 93 ILE QG 4.900 . 6.000 4.390 4.210 4.584 . 0 0 "[ . 1 .]" 1
1226 1 90 CYS HB3 1 125 CYS HA 4.100 . 6.000 5.675 5.567 5.807 . 0 0 "[ . 1 .]" 1
1227 1 90 CYS HB3 1 125 CYS HB3 4.200 . 6.000 4.874 4.317 5.052 . 0 0 "[ . 1 .]" 1
1228 1 91 VAL H 1 91 VAL HA 2.800 . 3.800 2.900 2.851 2.920 . 0 0 "[ . 1 .]" 1
1229 1 91 VAL H 1 91 VAL HB 3.100 . 4.300 3.630 3.495 3.669 . 0 0 "[ . 1 .]" 1
1230 1 91 VAL H 1 91 VAL MG1 2.200 . 2.800 1.937 1.635 2.124 . 0 0 "[ . 1 .]" 1
1231 1 91 VAL H 1 92 ASN H 2.700 . 3.600 2.251 2.163 2.404 . 0 0 "[ . 1 .]" 1
1232 1 91 VAL H 1 92 ASN HA 4.700 . 6.000 4.931 4.856 5.062 . 0 0 "[ . 1 .]" 1
1233 1 91 VAL H 1 95 VAL MG2 4.800 . 6.000 5.895 5.735 6.047 0.047 8 0 "[ . 1 .]" 1
1234 1 91 VAL H 1 121 VAL QG 4.600 . 6.000 4.223 4.019 4.349 . 0 0 "[ . 1 .]" 1
1235 1 91 VAL H 1 122 GLU HA 6.000 . 6.000 4.544 4.242 4.807 . 0 0 "[ . 1 .]" 1
1236 1 91 VAL H 1 125 CYS HB2 5.100 . 6.000 4.877 4.469 5.149 . 0 0 "[ . 1 .]" 1
1237 1 91 VAL HA 1 91 VAL HB 2.400 . 3.100 2.250 2.230 2.283 . 0 0 "[ . 1 .]" 1
1238 1 91 VAL HA 1 91 VAL MG1 2.700 . 3.600 2.606 2.502 2.715 . 0 0 "[ . 1 .]" 1
1239 1 91 VAL HA 1 91 VAL MG2 2.800 . 3.800 3.115 3.075 3.151 . 0 0 "[ . 1 .]" 1
1240 1 91 VAL HA 1 92 ASN H 3.000 . 4.100 3.498 3.464 3.520 . 0 0 "[ . 1 .]" 1
1241 1 91 VAL HA 1 92 ASN HA 4.500 . 6.000 4.814 4.755 4.864 . 0 0 "[ . 1 .]" 1
1242 1 91 VAL HA 1 93 ILE H 3.800 . 5.600 3.136 3.061 3.217 . 0 0 "[ . 1 .]" 1
1243 1 91 VAL HA 1 94 THR H 3.500 . 5.100 2.123 2.042 2.235 . 0 0 "[ . 1 .]" 1
1244 1 91 VAL HA 1 94 THR HA 4.500 . 6.000 4.216 4.152 4.300 . 0 0 "[ . 1 .]" 1
1245 1 91 VAL HA 1 94 THR HB 2.700 . 3.600 1.848 1.758 1.982 0.042 6 0 "[ . 1 .]" 1
1246 1 91 VAL HA 1 94 THR HG1 3.700 . 5.400 3.887 3.572 4.037 . 0 0 "[ . 1 .]" 1
1247 1 91 VAL HA 1 121 VAL HB 4.800 . 6.000 5.626 4.115 5.870 . 0 0 "[ . 1 .]" 1
1248 1 91 VAL HA 1 121 VAL QG 2.900 . 4.000 2.841 2.721 2.939 . 0 0 "[ . 1 .]" 1
1249 1 91 VAL HB 1 91 VAL MG2 2.100 . 2.600 2.111 2.105 2.120 . 0 0 "[ . 1 .]" 1
1250 1 91 VAL HB 1 92 ASN H 3.200 . 4.500 4.188 4.160 4.222 . 0 0 "[ . 1 .]" 1
1251 1 91 VAL HB 1 94 THR HA 5.000 . 6.000 5.813 5.710 5.933 . 0 0 "[ . 1 .]" 1
1252 1 91 VAL HB 1 95 VAL MG1 2.100 . 2.600 2.248 2.160 2.336 . 0 0 "[ . 1 .]" 1
1253 1 91 VAL HB 1 118 GLU HA 4.100 . 6.000 3.577 3.370 3.790 . 0 0 "[ . 1 .]" 1
1254 1 91 VAL HB 1 121 VAL QG 2.200 . 2.800 1.688 1.516 1.953 0.084 2 0 "[ . 1 .]" 1
1255 1 91 VAL HB 1 122 GLU HB3 2.200 . 6.000 4.473 4.195 4.640 . 0 0 "[ . 1 .]" 1
1256 1 91 VAL MG1 1 92 ASN H 4.000 . 6.000 3.463 3.237 3.626 . 0 0 "[ . 1 .]" 1
1257 1 91 VAL MG1 1 94 THR HA 3.400 . 6.000 5.979 5.804 6.111 0.111 1 0 "[ . 1 .]" 1
1258 1 91 VAL MG1 1 94 THR HG1 4.200 . 6.000 4.823 4.353 5.183 . 0 0 "[ . 1 .]" 1
1259 1 91 VAL MG1 1 95 VAL HB 4.400 . 6.000 6.113 6.036 6.194 0.194 13 0 "[ . 1 .]" 1
1260 1 91 VAL MG1 1 121 VAL QG 3.200 . 4.500 1.988 1.858 2.156 0.042 2 0 "[ . 1 .]" 1
1261 1 91 VAL MG1 1 122 GLU H 4.300 . 6.000 2.951 2.704 3.182 . 0 0 "[ . 1 .]" 1
1262 1 91 VAL MG1 1 122 GLU HA 2.200 . 2.800 1.502 1.443 1.568 0.157 6 0 "[ . 1 .]" 1
1263 1 91 VAL MG1 1 122 GLU HB3 2.900 . 4.000 3.145 2.774 3.449 . 0 0 "[ . 1 .]" 1
1264 1 91 VAL MG1 1 123 GLN HA 4.600 . 6.000 5.359 5.205 5.531 . 0 0 "[ . 1 .]" 1
1265 1 91 VAL MG1 1 125 CYS H 2.700 . 6.000 3.985 3.846 4.339 . 0 0 "[ . 1 .]" 1
1266 1 91 VAL MG1 1 125 CYS HB2 3.200 . 4.500 2.634 2.484 2.921 . 0 0 "[ . 1 .]" 1
1267 1 91 VAL MG1 1 125 CYS HB3 3.700 . 5.400 3.151 2.975 3.307 . 0 0 "[ . 1 .]" 1
1268 1 91 VAL MG2 1 92 ASN H 2.800 . 3.800 2.353 2.296 2.466 . 0 0 "[ . 1 .]" 1
1269 1 91 VAL MG2 1 92 ASN HA 3.200 . 4.500 3.170 3.095 3.264 . 0 0 "[ . 1 .]" 1
1270 1 91 VAL MG2 1 93 ILE HB 4.600 . 6.000 5.926 5.740 6.017 0.017 7 0 "[ . 1 .]" 1
1271 1 91 VAL MG2 1 94 THR HA 3.800 . 6.000 6.166 6.070 6.236 0.236 9 0 "[ . 1 .]" 1
1272 1 91 VAL MG2 1 94 THR HG1 3.800 . 6.000 6.166 5.961 6.229 0.229 6 0 "[ . 1 .]" 1
1273 1 91 VAL MG2 1 121 VAL QG 3.800 . 6.000 2.735 2.586 3.095 . 0 0 "[ . 1 .]" 1
1274 1 92 ASN H 1 92 ASN HA 2.600 . 3.500 2.819 2.794 2.832 . 0 0 "[ . 1 .]" 1
1275 1 92 ASN H 1 92 ASN HB3 3.000 . 4.100 3.071 2.419 3.604 . 0 0 "[ . 1 .]" 1
1276 1 92 ASN H 1 93 ILE H 2.700 . 3.600 2.489 2.442 2.548 . 0 0 "[ . 1 .]" 1
1277 1 92 ASN H 1 95 VAL H 6.000 . 6.000 4.881 4.713 4.990 . 0 0 "[ . 1 .]" 1
1278 1 92 ASN H 1 95 VAL MG2 3.700 . 5.400 4.674 4.443 4.875 . 0 0 "[ . 1 .]" 1
1279 1 92 ASN HA 1 92 ASN HB2 2.700 . 3.600 2.752 2.424 3.022 . 0 0 "[ . 1 .]" 1
1280 1 92 ASN HA 1 92 ASN HB3 2.800 . 3.800 2.837 2.561 3.035 . 0 0 "[ . 1 .]" 1
1281 1 92 ASN HA 1 93 ILE H 3.600 . 5.200 3.300 3.263 3.346 . 0 0 "[ . 1 .]" 1
1282 1 92 ASN HA 1 94 THR HB 3.600 . 6.000 5.840 5.647 5.992 . 0 0 "[ . 1 .]" 1
1283 1 92 ASN HA 1 95 VAL HB 4.200 . 6.000 5.819 5.353 6.024 0.024 5 0 "[ . 1 .]" 1
1284 1 92 ASN HA 1 95 VAL MG1 3.400 . 4.800 3.739 3.431 3.906 . 0 0 "[ . 1 .]" 1
1285 1 92 ASN HA 1 96 LYS QG 3.400 . 4.800 3.527 3.300 4.263 . 0 0 "[ . 1 .]" 1
1286 1 92 ASN HB2 1 93 ILE HB 6.000 . 6.000 6.265 5.574 6.862 0.862 5 6 "[ * + ** - *]" 1
1287 1 92 ASN HB2 1 93 ILE QG 3.700 . 5.400 3.950 3.209 4.615 . 0 0 "[ . 1 .]" 1
1288 1 92 ASN HB3 1 92 ASN HD22 3.500 . 5.000 3.742 3.464 4.089 . 0 0 "[ . 1 .]" 1
1289 1 92 ASN HB3 1 93 ILE H 3.000 . 4.100 3.502 3.063 4.008 . 0 0 "[ . 1 .]" 1
1290 1 92 ASN HB3 1 93 ILE MD 3.300 . 4.600 3.149 2.560 3.607 . 0 0 "[ . 1 .]" 1
1291 1 92 ASN HB3 1 95 VAL MG2 4.400 . 6.000 5.297 4.585 5.720 . 0 0 "[ . 1 .]" 1
1292 1 92 ASN HD21 1 93 ILE H 4.000 . 6.000 5.201 4.312 5.772 . 0 0 "[ . 1 .]" 1
1293 1 93 ILE H 1 93 ILE HA 2.800 . 3.800 2.915 2.909 2.922 . 0 0 "[ . 1 .]" 1
1294 1 93 ILE H 1 93 ILE HB 2.700 . 3.600 2.802 2.638 2.872 . 0 0 "[ . 1 .]" 1
1295 1 93 ILE H 1 93 ILE MD 4.100 . 6.000 2.932 2.827 3.062 . 0 0 "[ . 1 .]" 1
1296 1 93 ILE H 1 93 ILE QG 3.800 . 6.000 1.653 1.563 1.807 . 0 0 "[ . 1 .]" 1
1297 1 93 ILE H 1 93 ILE MG 4.100 . 6.000 3.700 3.673 3.720 . 0 0 "[ . 1 .]" 1
1298 1 93 ILE H 1 94 THR H 2.700 . 3.600 2.210 2.124 2.272 . 0 0 "[ . 1 .]" 1
1299 1 93 ILE H 1 95 VAL H 4.000 . 6.000 4.001 3.771 4.140 . 0 0 "[ . 1 .]" 1
1300 1 93 ILE HA 1 93 ILE HB 2.900 . 4.000 2.978 2.960 2.998 . 0 0 "[ . 1 .]" 1
1301 1 93 ILE HA 1 93 ILE MD 2.600 . 3.500 2.433 2.329 2.544 . 0 0 "[ . 1 .]" 1
1302 1 93 ILE HA 1 93 ILE QG 3.500 . 5.000 3.098 3.026 3.173 . 0 0 "[ . 1 .]" 1
1303 1 93 ILE HA 1 93 ILE MG 2.700 . 3.600 2.196 2.154 2.251 . 0 0 "[ . 1 .]" 1
1304 1 93 ILE HA 1 94 THR H 3.700 . 5.400 3.540 3.520 3.566 . 0 0 "[ . 1 .]" 1
1305 1 93 ILE HA 1 96 LYS H 3.900 . 5.800 4.145 3.906 4.393 . 0 0 "[ . 1 .]" 1
1306 1 93 ILE HA 1 96 LYS HB2 2.900 . 4.000 3.213 3.000 3.423 . 0 0 "[ . 1 .]" 1
1307 1 93 ILE HA 1 96 LYS HB3 3.900 . 5.800 4.473 4.299 4.639 . 0 0 "[ . 1 .]" 1
1308 1 93 ILE HA 1 96 LYS QD 4.000 . 6.000 4.471 3.192 4.911 . 0 0 "[ . 1 .]" 1
1309 1 93 ILE HA 1 96 LYS QE 4.100 . 6.000 4.577 4.348 4.956 . 0 0 "[ . 1 .]" 1
1310 1 93 ILE HA 1 97 GLN QB 4.700 . 6.000 5.673 5.286 6.058 0.058 3 0 "[ . 1 .]" 1
1311 1 93 ILE HB 1 93 ILE MD 3.200 . 4.500 3.218 3.199 3.230 . 0 0 "[ . 1 .]" 1
1312 1 93 ILE HB 1 93 ILE QG 2.800 . 3.800 2.166 2.153 2.184 . 0 0 "[ . 1 .]" 1
1313 1 93 ILE HB 1 93 ILE MG 2.400 . 3.100 2.115 2.101 2.122 . 0 0 "[ . 1 .]" 1
1314 1 93 ILE HB 1 94 THR H 3.000 . 6.000 2.669 2.528 2.964 . 0 0 "[ . 1 .]" 1
1315 1 93 ILE HB 1 94 THR HA 3.100 . 4.300 3.724 3.626 3.945 . 0 0 "[ . 1 .]" 1
1316 1 93 ILE HB 1 97 GLN QB 4.100 . 6.000 5.589 5.094 6.098 0.098 3 0 "[ . 1 .]" 1
1317 1 93 ILE MD 1 93 ILE MG 2.400 . 3.100 1.818 1.760 1.867 . 0 0 "[ . 1 .]" 1
1318 1 93 ILE MD 1 95 VAL MG1 3.600 . 6.000 6.028 5.928 6.077 0.077 7 0 "[ . 1 .]" 1
1319 1 93 ILE MD 1 96 LYS HB2 4.600 . 6.000 5.164 4.952 5.291 . 0 0 "[ . 1 .]" 1
1320 1 93 ILE MD 1 96 LYS HB3 4.200 . 6.000 6.033 5.868 6.092 0.092 15 0 "[ . 1 .]" 1
1321 1 93 ILE MD 1 96 LYS QD 3.400 . 6.000 5.535 4.356 5.964 . 0 0 "[ . 1 .]" 1
1322 1 93 ILE MD 1 96 LYS QE 2.300 . 6.000 4.973 4.708 5.243 . 0 0 "[ . 1 .]" 1
1323 1 93 ILE QG 1 93 ILE MG 2.700 . 3.600 2.323 2.261 2.354 . 0 0 "[ . 1 .]" 1
1324 1 93 ILE QG 1 94 THR H 6.000 . 6.000 3.283 3.165 3.530 . 0 0 "[ . 1 .]" 1
1325 1 93 ILE QG 1 94 THR HA 1.700 . 6.000 5.219 5.113 5.322 . 0 0 "[ . 1 .]" 1
1326 1 93 ILE QG 1 96 LYS QD 2.000 . 6.000 6.023 4.842 6.745 0.745 14 2 "[ . 1 -+.]" 1
1327 1 93 ILE QG 1 96 LYS QE 2.200 . 6.000 5.652 5.471 5.867 . 0 0 "[ . 1 .]" 1
1328 1 93 ILE MG 1 94 THR H 4.300 . 6.000 3.953 3.842 4.088 . 0 0 "[ . 1 .]" 1
1329 1 93 ILE MG 1 94 THR HA 3.600 . 5.200 4.139 3.964 4.435 . 0 0 "[ . 1 .]" 1
1330 1 93 ILE MG 1 96 LYS HB2 3.700 . 5.500 4.085 3.772 4.304 . 0 0 "[ . 1 .]" 1
1331 1 93 ILE MG 1 96 LYS QE 4.000 . 6.000 5.821 5.597 6.097 0.097 4 0 "[ . 1 .]" 1
1332 1 93 ILE MG 1 97 GLN QB 3.800 . 5.600 4.488 4.055 5.012 . 0 0 "[ . 1 .]" 1
1333 1 93 ILE MG 1 97 GLN QG 3.300 . 4.600 2.921 2.312 4.275 . 0 0 "[ . 1 .]" 1
1334 1 94 THR H 1 94 THR HB 3.200 . 4.500 2.391 2.290 2.492 . 0 0 "[ . 1 .]" 1
1335 1 94 THR H 1 95 VAL H 2.700 . 3.600 2.451 2.295 2.578 . 0 0 "[ . 1 .]" 1
1336 1 94 THR H 1 95 VAL MG2 3.900 . 5.800 4.257 4.143 4.391 . 0 0 "[ . 1 .]" 1
1337 1 94 THR H 1 96 LYS H 3.300 . 4.700 3.511 3.382 3.576 . 0 0 "[ . 1 .]" 1
1338 1 94 THR H 1 96 LYS HA 4.000 . 6.000 6.304 6.182 6.398 0.398 2 0 "[ . 1 .]" 1
1339 1 94 THR H 1 96 LYS QG 4.600 . 6.000 4.041 3.772 5.345 . 0 0 "[ . 1 .]" 1
1340 1 94 THR H 1 97 GLN H 4.300 . 6.000 4.702 4.528 4.948 . 0 0 "[ . 1 .]" 1
1341 1 94 THR H 1 121 VAL QG 5.400 . 6.000 4.073 3.968 4.351 . 0 0 "[ . 1 .]" 1
1342 1 94 THR HA 1 94 THR HB 2.700 . 3.600 3.022 3.007 3.034 . 0 0 "[ . 1 .]" 1
1343 1 94 THR HA 1 94 THR HG1 2.700 . 3.600 2.874 2.681 3.029 . 0 0 "[ . 1 .]" 1
1344 1 94 THR HA 1 95 VAL H 3.600 . 5.200 3.461 3.397 3.485 . 0 0 "[ . 1 .]" 1
1345 1 94 THR HA 1 96 LYS HB2 4.600 . 6.000 4.533 4.421 4.668 . 0 0 "[ . 1 .]" 1
1346 1 94 THR HA 1 96 LYS HB3 5.100 . 6.000 6.172 6.035 6.287 0.287 2 0 "[ . 1 .]" 1
1347 1 94 THR HA 1 98 HIS HD2 3.600 . 5.200 4.162 3.579 4.550 . 0 0 "[ . 1 .]" 1
1348 1 94 THR HA 1 121 VAL QG 5.200 . 6.000 4.369 4.239 4.795 . 0 0 "[ . 1 .]" 1
1349 1 94 THR HB 1 94 THR HG1 2.300 . 3.000 2.698 2.650 2.757 . 0 0 "[ . 1 .]" 1
1350 1 94 THR HB 1 95 VAL H 2.500 . 3.300 2.404 2.309 2.630 . 0 0 "[ . 1 .]" 1
1351 1 94 THR HB 1 95 VAL MG1 3.700 . 5.500 2.699 2.593 2.926 . 0 0 "[ . 1 .]" 1
1352 1 94 THR HB 1 121 VAL QG 3.300 . 4.000 2.421 2.294 2.697 . 0 0 "[ . 1 .]" 1
1353 1 94 THR HB 1 122 GLU H 5.000 . 6.000 6.199 6.153 6.240 0.240 11 0 "[ . 1 .]" 1
1354 1 94 THR HG1 1 95 VAL HA 4.200 . 6.000 5.975 5.812 6.140 0.140 3 0 "[ . 1 .]" 1
1355 1 94 THR HG1 1 97 GLN QB 3.900 . 5.800 5.236 4.813 5.618 . 0 0 "[ . 1 .]" 1
1356 1 94 THR HG1 1 97 GLN QG 3.700 . 5.500 4.749 3.914 5.068 . 0 0 "[ . 1 .]" 1
1357 1 94 THR HG1 1 98 HIS HB2 4.600 . 6.000 6.227 6.063 6.358 0.358 6 0 "[ . 1 .]" 1
1358 1 94 THR HG1 1 121 VAL HB 4.800 . 6.000 5.884 4.311 6.074 0.074 3 0 "[ . 1 .]" 1
1359 1 94 THR HG1 1 121 VAL QG 3.000 . 4.200 3.207 3.023 3.983 . 0 0 "[ . 1 .]" 1
1360 1 94 THR HG1 1 124 MET ME 2.100 . 6.000 5.938 5.555 6.124 0.124 12 0 "[ . 1 .]" 1
1361 1 95 VAL H 1 95 VAL HA 2.700 . 3.600 2.826 2.782 2.868 . 0 0 "[ . 1 .]" 1
1362 1 95 VAL H 1 95 VAL HB 3.100 . 4.300 3.488 3.454 3.576 . 0 0 "[ . 1 .]" 1
1363 1 95 VAL H 1 95 VAL MG1 2.000 . 2.500 1.587 1.483 1.785 0.017 4 0 "[ . 1 .]" 1
1364 1 95 VAL H 1 96 LYS H 2.600 . 3.400 2.450 2.263 2.505 . 0 0 "[ . 1 .]" 1
1365 1 95 VAL H 1 96 LYS HA 4.300 . 6.000 5.036 4.869 5.093 . 0 0 "[ . 1 .]" 1
1366 1 95 VAL H 1 96 LYS HB2 5.000 . 6.000 4.724 4.360 4.890 . 0 0 "[ . 1 .]" 1
1367 1 95 VAL H 1 96 LYS QG 4.500 . 6.000 3.966 3.681 5.018 . 0 0 "[ . 1 .]" 1
1368 1 95 VAL H 1 121 VAL QG 3.200 . 4.500 3.287 3.078 3.437 . 0 0 "[ . 1 .]" 1
1369 1 95 VAL HA 1 95 VAL HB 2.900 . 3.900 2.277 2.263 2.294 . 0 0 "[ . 1 .]" 1
1370 1 95 VAL HA 1 95 VAL MG1 2.400 . 3.100 2.624 2.592 2.657 . 0 0 "[ . 1 .]" 1
1371 1 95 VAL HA 1 95 VAL MG2 2.900 . 4.000 3.160 3.143 3.171 . 0 0 "[ . 1 .]" 1
1372 1 95 VAL HA 1 96 LYS H 4.000 . 6.000 3.268 3.210 3.406 . 0 0 "[ . 1 .]" 1
1373 1 95 VAL HA 1 96 LYS QE 4.800 . 6.000 5.800 5.438 6.068 0.068 12 0 "[ . 1 .]" 1
1374 1 95 VAL HA 1 97 GLN QB 4.600 . 6.000 5.605 5.062 6.198 0.198 12 0 "[ . 1 .]" 1
1375 1 95 VAL HA 1 98 HIS HB2 3.900 . 5.800 3.604 2.972 4.043 . 0 0 "[ . 1 .]" 1
1376 1 95 VAL HA 1 98 HIS HB3 3.400 . 4.900 4.862 4.185 5.175 0.275 14 0 "[ . 1 .]" 1
1377 1 95 VAL HA 1 121 VAL QG 4.400 . 6.000 3.755 3.540 3.925 . 0 0 "[ . 1 .]" 1
1378 1 95 VAL HB 1 95 VAL MG1 2.100 . 2.700 2.094 2.076 2.100 . 0 0 "[ . 1 .]" 1
1379 1 95 VAL HB 1 95 VAL MG2 2.400 . 3.100 2.133 2.129 2.139 . 0 0 "[ . 1 .]" 1
1380 1 95 VAL HB 1 96 LYS H 3.400 . 4.800 4.410 4.233 4.476 . 0 0 "[ . 1 .]" 1
1381 1 95 VAL HB 1 96 LYS QD 5.200 . 6.000 4.313 4.062 5.200 . 0 0 "[ . 1 .]" 1
1382 1 95 VAL HB 1 96 LYS QG 5.600 . 6.000 5.709 5.321 5.829 . 0 0 "[ . 1 .]" 1
1383 1 95 VAL HB 1 117 MET ME 3.200 . 4.400 2.465 2.139 2.828 . 0 0 "[ . 1 .]" 1
1384 1 95 VAL HB 1 117 MET HG2 2.400 . 3.100 2.846 2.602 3.152 0.052 3 0 "[ . 1 .]" 1
1385 1 95 VAL MG1 1 96 LYS HB2 4.700 . 6.000 5.578 5.121 5.711 . 0 0 "[ . 1 .]" 1
1386 1 95 VAL MG1 1 96 LYS QD 4.000 . 6.000 3.925 3.286 5.026 . 0 0 "[ . 1 .]" 1
1387 1 95 VAL MG1 1 96 LYS QE 3.700 . 5.400 4.347 3.750 4.737 . 0 0 "[ . 1 .]" 1
1388 1 95 VAL MG1 1 96 LYS QG 4.700 . 6.000 4.491 4.243 5.067 . 0 0 "[ . 1 .]" 1
1389 1 95 VAL MG1 1 97 GLN QG 4.400 . 6.000 5.579 4.938 5.849 . 0 0 "[ . 1 .]" 1
1390 1 95 VAL MG1 1 98 HIS HB2 4.200 . 6.000 5.384 4.858 5.625 . 0 0 "[ . 1 .]" 1
1391 1 95 VAL MG1 1 99 THR HB 4.100 . 6.000 5.301 4.756 6.323 0.323 3 0 "[ . 1 .]" 1
1392 1 95 VAL MG1 1 99 THR HG1 3.400 . 4.900 4.337 3.701 4.611 . 0 0 "[ . 1 .]" 1
1393 1 95 VAL MG1 1 117 MET HA 3.700 . 5.400 5.127 4.950 5.289 . 0 0 "[ . 1 .]" 1
1394 1 95 VAL MG1 1 117 MET ME 3.100 . 4.300 3.468 3.174 3.808 . 0 0 "[ . 1 .]" 1
1395 1 95 VAL MG1 1 118 GLU HA 2.700 . 3.600 2.169 1.903 2.594 . 0 0 "[ . 1 .]" 1
1396 1 95 VAL MG2 1 96 LYS H 3.300 . 4.600 2.950 2.513 3.107 . 0 0 "[ . 1 .]" 1
1397 1 95 VAL MG2 1 96 LYS HA 4.200 . 6.000 3.470 3.143 3.637 . 0 0 "[ . 1 .]" 1
1398 1 95 VAL MG2 1 96 LYS HB2 4.300 . 6.000 4.549 4.212 4.730 . 0 0 "[ . 1 .]" 1
1399 1 95 VAL MG2 1 99 THR H 4.300 . 6.000 5.104 4.205 5.534 . 0 0 "[ . 1 .]" 1
1400 1 95 VAL MG2 1 117 MET ME 2.600 . 3.500 3.246 2.917 3.519 0.019 11 0 "[ . 1 .]" 1
1401 1 95 VAL MG2 1 118 GLU HA 3.800 . 5.600 3.995 3.718 4.469 . 0 0 "[ . 1 .]" 1
1402 1 96 LYS H 1 96 LYS HA 2.700 . 3.600 2.873 2.810 2.896 . 0 0 "[ . 1 .]" 1
1403 1 96 LYS H 1 96 LYS HB2 2.400 . 3.100 2.509 2.257 2.602 . 0 0 "[ . 1 .]" 1
1404 1 96 LYS H 1 96 LYS HB3 3.200 . 4.500 3.604 3.536 3.640 . 0 0 "[ . 1 .]" 1
1405 1 96 LYS H 1 96 LYS QD 4.000 . 6.000 2.562 2.160 3.377 . 0 0 "[ . 1 .]" 1
1406 1 96 LYS H 1 96 LYS QG 4.400 . 6.000 2.552 2.298 3.424 . 0 0 "[ . 1 .]" 1
1407 1 96 LYS H 1 97 GLN H 2.900 . 3.900 2.506 2.416 2.753 . 0 0 "[ . 1 .]" 1
1408 1 96 LYS H 1 99 THR H 4.300 . 6.000 4.909 4.645 5.370 . 0 0 "[ . 1 .]" 1
1409 1 96 LYS HA 1 96 LYS HB2 2.600 . 6.000 2.999 2.979 3.022 . 0 0 "[ . 1 .]" 1
1410 1 96 LYS HA 1 96 LYS HB3 2.200 . 2.800 2.433 2.386 2.558 . 0 0 "[ . 1 .]" 1
1411 1 96 LYS HA 1 96 LYS QD 2.500 . 3.300 1.965 1.791 2.840 . 0 0 "[ . 1 .]" 1
1412 1 96 LYS HA 1 96 LYS QE 4.700 . 6.000 3.958 3.789 4.101 . 0 0 "[ . 1 .]" 1
1413 1 96 LYS HA 1 96 LYS QG 3.700 . 4.800 3.084 2.189 3.226 . 0 0 "[ . 1 .]" 1
1414 1 96 LYS HA 1 99 THR HB 3.400 . 6.000 3.907 2.823 6.002 0.002 11 0 "[ . 1 .]" 1
1415 1 96 LYS HA 1 99 THR MG 3.600 . 6.000 3.570 2.268 3.877 . 0 0 "[ . 1 .]" 1
1416 1 96 LYS HB2 1 96 LYS QD 2.800 . 3.800 3.123 2.294 3.266 . 0 0 "[ . 1 .]" 1
1417 1 96 LYS HB2 1 96 LYS QE 4.200 . 6.000 4.407 4.129 4.543 . 0 0 "[ . 1 .]" 1
1418 1 96 LYS HB2 1 96 LYS QG 2.200 . 2.800 2.147 2.114 2.399 . 0 0 "[ . 1 .]" 1
1419 1 96 LYS HB2 1 97 GLN H 2.000 . 2.500 1.902 1.832 2.037 . 0 0 "[ . 1 .]" 1
1420 1 96 LYS HB2 1 99 THR MG 4.700 . 6.000 6.007 4.899 6.293 0.293 6 0 "[ . 1 .]" 1
1421 1 96 LYS HB3 1 96 LYS QE 4.200 . 6.000 4.240 3.832 4.578 . 0 0 "[ . 1 .]" 1
1422 1 96 LYS HB3 1 96 LYS QG 2.400 . 3.100 2.200 2.146 2.306 . 0 0 "[ . 1 .]" 1
1423 1 96 LYS HB3 1 97 GLN H 3.000 . 4.100 3.134 2.837 3.206 . 0 0 "[ . 1 .]" 1
1424 1 96 LYS HB3 1 100 VAL QG 3.500 . 5.000 2.774 2.579 3.219 . 0 0 "[ . 1 .]" 1
1425 1 96 LYS QD 1 96 LYS QE 2.100 . 2.600 2.016 1.964 2.092 . 0 0 "[ . 1 .]" 1
1426 1 96 LYS QD 1 96 LYS QG 2.100 . 2.700 2.048 2.024 2.074 . 0 0 "[ . 1 .]" 1
1427 1 96 LYS QD 1 97 GLN QG 5.700 . 6.000 4.933 4.608 5.350 . 0 0 "[ . 1 .]" 1
1428 1 96 LYS QD 1 99 THR MG 3.300 . 4.700 3.978 2.870 4.775 0.075 4 0 "[ . 1 .]" 1
1429 1 96 LYS QD 1 100 VAL HA 4.100 . 6.000 6.290 6.065 7.889 1.889 4 1 "[ +. 1 .]" 1
1430 1 96 LYS HD3 1 97 GLN QG 5.500 . 6.000 5.371 4.933 5.868 . 0 0 "[ . 1 .]" 1
1431 1 96 LYS QE 1 96 LYS QG 3.100 . 4.300 2.354 2.079 2.525 . 0 0 "[ . 1 .]" 1
1432 1 96 LYS QE 1 99 THR MG 3.700 . 5.400 5.077 4.038 5.362 . 0 0 "[ . 1 .]" 1
1433 1 96 LYS HE2 1 99 THR MG 3.500 . 6.000 5.384 4.203 5.934 . 0 0 "[ . 1 .]" 1
1434 1 96 LYS HE2 1 100 VAL QG 4.200 . 6.000 4.948 4.451 5.621 . 0 0 "[ . 1 .]" 1
1435 1 96 LYS QG 1 97 GLN QB 5.100 . 6.000 5.492 5.291 5.755 . 0 0 "[ . 1 .]" 1
1436 1 96 LYS QG 1 100 VAL QG 3.300 . 4.700 3.853 3.590 4.135 . 0 0 "[ . 1 .]" 1
1437 1 97 GLN H 1 97 GLN HA 2.500 . 3.300 2.707 2.640 2.735 . 0 0 "[ . 1 .]" 1
1438 1 97 GLN H 1 97 GLN QB 3.100 . 4.300 2.640 2.377 2.815 . 0 0 "[ . 1 .]" 1
1439 1 97 GLN QB 1 97 GLN QG 2.100 . 2.600 2.021 1.987 2.062 . 0 0 "[ . 1 .]" 1
1440 1 97 GLN QB 1 98 HIS HA 3.900 . 5.800 3.927 3.750 4.079 . 0 0 "[ . 1 .]" 1
1441 1 97 GLN QB 1 98 HIS HB2 4.800 . 6.000 4.043 3.736 4.575 . 0 0 "[ . 1 .]" 1
1442 1 97 GLN QB 1 98 HIS HE1 4.500 . 6.000 6.089 6.008 6.221 0.221 4 0 "[ . 1 .]" 1
1443 1 97 GLN QB 1 100 VAL QG 4.400 . 6.000 4.201 3.918 4.416 . 0 0 "[ . 1 .]" 1
1444 1 97 GLN HE22 1 100 VAL QG 2.000 . 6.000 5.724 5.259 6.917 0.917 12 2 "[ . 1-+ .]" 1
1445 1 98 HIS HA 1 99 THR H 3.800 . 5.600 3.503 3.271 3.612 . 0 0 "[ . 1 .]" 1
1446 1 98 HIS HA 1 99 THR HB 4.000 . 6.000 5.623 5.527 6.183 0.183 3 0 "[ . 1 .]" 1
1447 1 98 HIS HA 1 99 THR HG1 4.100 . 6.000 5.425 4.059 5.696 . 0 0 "[ . 1 .]" 1
1448 1 98 HIS HA 1 101 THR HB 3.500 . 6.000 4.304 3.746 5.546 . 0 0 "[ . 1 .]" 1
1449 1 98 HIS HA 1 101 THR MG 3.500 . 5.000 4.794 3.071 5.100 0.100 3 0 "[ . 1 .]" 1
1450 1 98 HIS HA 1 102 THR HB 3.100 . 6.000 2.208 1.606 2.931 . 0 0 "[ . 1 .]" 1
1451 1 98 HIS QB 1 99 THR H 3.000 . 4.100 2.289 2.052 3.456 . 0 0 "[ . 1 .]" 1
1452 1 98 HIS HB2 1 99 THR HG1 5.200 . 6.000 4.315 3.146 4.664 . 0 0 "[ . 1 .]" 1
1453 1 98 HIS HB2 1 100 VAL QG 4.400 . 6.000 5.067 4.887 5.287 . 0 0 "[ . 1 .]" 1
1454 1 98 HIS HB2 1 117 MET ME 4.700 . 6.000 5.640 4.505 6.140 0.140 14 0 "[ . 1 .]" 1
1455 1 98 HIS HB2 1 121 VAL QG 2.400 . 6.000 5.060 4.467 5.289 . 0 0 "[ . 1 .]" 1
1456 1 98 HIS HB3 1 100 VAL QG 4.400 . 6.000 5.372 5.161 5.699 . 0 0 "[ . 1 .]" 1
1457 1 99 THR H 1 99 THR HA 2.900 . 3.900 2.689 2.556 2.933 . 0 0 "[ . 1 .]" 1
1458 1 99 THR H 1 100 VAL H 2.900 . 3.900 3.105 1.821 3.343 0.079 3 0 "[ . 1 .]" 1
1459 1 99 THR H 1 100 VAL QG 3.300 . 4.600 3.772 2.604 4.012 . 0 0 "[ . 1 .]" 1
1460 1 99 THR H 1 102 THR HA 4.300 . 6.000 6.427 6.050 6.863 0.863 15 3 "[ . *- 1 +]" 1
1461 1 99 THR H 1 103 THR HA 3.800 . 6.000 6.220 6.087 6.443 0.443 15 0 "[ . 1 .]" 1
1462 1 99 THR HA 1 99 THR HG1 2.700 . 3.600 2.548 2.346 2.850 . 0 0 "[ . 1 .]" 1
1463 1 99 THR HA 1 100 VAL HA 4.700 . 6.000 4.443 4.284 4.584 . 0 0 "[ . 1 .]" 1
1464 1 99 THR HA 1 103 THR HG1 2.900 . 6.000 1.875 1.366 2.629 . 0 0 "[ . 1 .]" 1
1465 1 99 THR HB 1 99 THR HG1 2.000 . 2.500 1.929 1.877 2.043 . 0 0 "[ . 1 .]" 1
1466 1 99 THR HB 1 102 THR MG 4.400 . 6.000 5.105 3.945 5.808 . 0 0 "[ . 1 .]" 1
1467 1 99 THR HB 1 103 THR HG1 2.900 . 4.000 3.708 3.244 4.110 0.110 12 0 "[ . 1 .]" 1
1468 1 99 THR HG1 1 102 THR MG 3.200 . 4.400 4.378 3.564 4.632 0.232 8 0 "[ . 1 .]" 1
1469 1 99 THR HG1 1 114 ILE MD 3.800 . 5.600 3.424 2.664 4.803 . 0 0 "[ . 1 .]" 1
1470 1 99 THR HG1 1 116 ILE MD 4.200 . 6.000 6.057 5.883 6.298 0.298 8 0 "[ . 1 .]" 1
1471 1 99 THR HG1 1 117 MET ME 2.300 . 2.900 2.043 1.759 2.469 . 0 0 "[ . 1 .]" 1
1472 1 99 THR MG 1 100 VAL HA 2.500 . 6.000 3.717 2.974 5.288 . 0 0 "[ . 1 .]" 1
1473 1 99 THR MG 1 100 VAL HB 4.900 . 6.000 4.976 4.262 6.149 0.149 3 0 "[ . 1 .]" 1
1474 1 100 VAL H 1 100 VAL HA 2.600 . 3.500 2.926 2.915 2.944 . 0 0 "[ . 1 .]" 1
1475 1 100 VAL H 1 100 VAL HB 3.100 . 4.300 3.835 3.748 3.912 . 0 0 "[ . 1 .]" 1
1476 1 100 VAL H 1 100 VAL QG 3.300 . 4.600 2.148 2.016 2.275 . 0 0 "[ . 1 .]" 1
1477 1 100 VAL H 1 101 THR H 2.200 . 2.800 1.938 1.707 2.220 . 0 0 "[ . 1 .]" 1
1478 1 100 VAL H 1 101 THR HA 3.900 . 5.800 4.696 4.521 4.931 . 0 0 "[ . 1 .]" 1
1479 1 100 VAL H 1 103 THR HA 4.500 . 6.000 6.215 6.011 6.458 0.458 5 0 "[ . 1 .]" 1
1480 1 100 VAL HA 1 100 VAL HB 2.600 . 3.500 2.367 2.319 2.431 . 0 0 "[ . 1 .]" 1
1481 1 100 VAL HA 1 100 VAL QG 2.600 . 3.400 2.344 2.278 2.413 . 0 0 "[ . 1 .]" 1
1482 1 100 VAL HA 1 101 THR H 2.700 . 3.600 3.309 3.230 3.363 . 0 0 "[ . 1 .]" 1
1483 1 100 VAL HA 1 102 THR HB 3.500 . 6.000 6.087 5.913 6.283 0.283 15 0 "[ . 1 .]" 1
1484 1 100 VAL HA 1 104 THR HG1 3.500 . 5.100 3.116 2.086 4.380 . 0 0 "[ . 1 .]" 1
1485 1 100 VAL HB 1 101 THR H 3.300 . 4.700 4.295 4.186 4.422 . 0 0 "[ . 1 .]" 1
1486 1 100 VAL MG1 1 100 VAL MG2 2.900 . 3.900 2.104 2.092 2.113 . 0 0 "[ . 1 .]" 1
1487 1 100 VAL QG 1 102 THR HB 1.700 . 6.000 4.774 4.669 4.994 . 0 0 "[ . 1 .]" 1
1488 1 100 VAL QG 1 102 THR MG 3.500 . 6.000 5.246 4.605 5.448 . 0 0 "[ . 1 .]" 1
1489 1 100 VAL QG 1 109 PHE QD 3.500 . 6.000 5.879 5.676 5.989 . 0 0 "[ . 1 .]" 1
1490 1 100 VAL QG 1 109 PHE QE 4.200 . 6.000 5.028 4.542 5.716 . 0 0 "[ . 1 .]" 1
1491 1 101 THR H 1 101 THR HG1 3.000 . 4.100 3.249 2.412 3.528 . 0 0 "[ . 1 .]" 1
1492 1 101 THR H 1 102 THR H 1.400 . 2.200 1.526 1.448 1.639 . 0 0 "[ . 1 .]" 1
1493 1 101 THR H 1 104 THR H 2.900 . 3.900 3.813 3.338 4.107 0.207 11 0 "[ . 1 .]" 1
1494 1 101 THR HA 1 102 THR H 2.400 . 3.100 3.322 3.243 3.349 0.249 2 0 "[ . 1 .]" 1
1495 1 101 THR HA 1 103 THR H 3.100 . 4.300 4.311 4.114 4.467 0.167 3 0 "[ . 1 .]" 1
1496 1 101 THR HA 1 104 THR H 3.200 . 4.500 3.504 3.211 3.706 . 0 0 "[ . 1 .]" 1
1497 1 101 THR HA 1 105 LYS H 3.200 . 6.000 5.032 4.543 5.499 . 0 0 "[ . 1 .]" 1
1498 1 101 THR HB 1 102 THR MG 3.900 . 6.000 5.528 5.261 6.186 0.186 4 0 "[ . 1 .]" 1
1499 1 101 THR HB 1 104 THR H 3.300 . 6.000 5.462 5.279 5.862 . 0 0 "[ . 1 .]" 1
1500 1 101 THR HG1 1 102 THR H 3.400 . 4.800 3.336 2.652 3.571 . 0 0 "[ . 1 .]" 1
1501 1 101 THR HG1 1 103 THR H 3.700 . 5.400 4.736 4.269 4.894 . 0 0 "[ . 1 .]" 1
1502 1 101 THR HG1 1 105 LYS HE2 4.400 . 6.000 6.076 5.716 6.185 0.185 5 0 "[ . 1 .]" 1
1503 1 102 THR H 1 102 THR HA 2.800 . 6.000 2.866 2.846 2.920 . 0 0 "[ . 1 .]" 1
1504 1 102 THR H 1 103 THR H 1.700 . 2.200 2.208 1.889 2.278 0.078 1 0 "[ . 1 .]" 1
1505 1 102 THR H 1 104 THR H 2.500 . 3.300 3.428 3.354 3.538 0.238 8 0 "[ . 1 .]" 1
1506 1 102 THR HA 1 103 THR H 2.600 . 3.400 3.471 3.444 3.499 0.099 3 0 "[ . 1 .]" 1
1507 1 102 THR HA 1 105 LYS QE 3.900 . 5.800 3.801 3.231 4.152 . 0 0 "[ . 1 .]" 1
1508 1 102 THR HB 1 105 LYS HG3 4.200 . 6.000 5.313 4.600 6.085 0.085 15 0 "[ . 1 .]" 1
1509 1 102 THR MG 1 104 THR HG1 3.400 . 6.000 5.135 5.041 5.248 . 0 0 "[ . 1 .]" 1
1510 1 102 THR MG 1 105 LYS QD 4.100 . 6.000 4.638 3.912 5.090 . 0 0 "[ . 1 .]" 1
1511 1 103 THR H 1 103 THR HA 2.200 . 2.800 2.829 2.752 2.879 0.079 14 0 "[ . 1 .]" 1
1512 1 103 THR H 1 104 THR H 2.700 . 3.600 2.291 2.055 2.582 . 0 0 "[ . 1 .]" 1
1513 1 103 THR HA 1 103 THR HG1 2.200 . 2.800 2.276 2.016 2.690 . 0 0 "[ . 1 .]" 1
1514 1 103 THR HA 1 104 THR H 2.500 . 6.000 3.407 3.364 3.465 . 0 0 "[ . 1 .]" 1
1515 1 103 THR HA 1 107 GLU HA 3.700 . 5.400 5.244 4.543 5.694 0.294 15 0 "[ . 1 .]" 1
1516 1 103 THR HA 1 107 GLU QG 3.500 . 5.000 3.266 2.909 3.848 . 0 0 "[ . 1 .]" 1
1517 1 103 THR HB 1 106 GLY H 3.200 . 6.000 6.112 6.004 6.359 0.359 12 0 "[ . 1 .]" 1
1518 1 103 THR HG1 1 105 LYS HE3 3.700 . 5.400 4.943 4.169 5.653 0.253 8 0 "[ . 1 .]" 1
1519 1 103 THR MG 1 107 GLU HA 4.500 . 6.000 5.369 4.216 6.268 0.268 12 0 "[ . 1 .]" 1
1520 1 103 THR MG 1 107 GLU QB 3.600 . 5.200 3.057 1.908 4.030 0.092 3 0 "[ . 1 .]" 1
1521 1 103 THR MG 1 108 ASN HA 3.900 . 5.800 4.898 4.001 5.952 0.152 4 0 "[ . 1 .]" 1
1522 1 103 THR MG 1 109 PHE QD 3.900 . 5.800 2.516 1.986 3.057 0.014 11 0 "[ . 1 .]" 1
1523 1 104 THR H 1 104 THR HA 2.400 . 3.100 2.909 2.866 2.940 . 0 0 "[ . 1 .]" 1
1524 1 104 THR H 1 104 THR HG1 2.400 . 3.100 2.174 1.968 2.502 . 0 0 "[ . 1 .]" 1
1525 1 104 THR H 1 105 LYS H 2.200 . 6.000 2.581 2.381 2.846 . 0 0 "[ . 1 .]" 1
1526 1 104 THR HB 1 104 THR MG 2.100 . 2.700 2.141 2.138 2.144 . 0 0 "[ . 1 .]" 1
1527 1 104 THR HB 1 105 LYS H 3.000 . 6.000 4.372 4.190 4.449 . 0 0 "[ . 1 .]" 1
1528 1 104 THR HB 1 106 GLY HA2 3.300 . 6.000 6.117 6.058 6.231 0.231 3 0 "[ . 1 .]" 1
1529 1 104 THR HB 1 107 GLU H 3.600 . 6.000 5.782 5.544 6.045 0.045 15 0 "[ . 1 .]" 1
1530 1 104 THR HG1 1 105 LYS H 3.700 . 6.000 3.467 2.825 3.934 . 0 0 "[ . 1 .]" 1
1531 1 104 THR HG1 1 105 LYS HA 4.400 . 6.000 4.224 3.703 4.847 . 0 0 "[ . 1 .]" 1
1532 1 104 THR HG1 1 105 LYS HB3 3.700 . 5.400 4.610 3.993 5.318 . 0 0 "[ . 1 .]" 1
1533 1 104 THR HG1 1 109 PHE QB 4.100 . 6.000 5.560 5.229 5.768 . 0 0 "[ . 1 .]" 1
1534 1 104 THR MG 1 109 PHE QB 4.500 . 6.000 5.631 5.286 5.832 . 0 0 "[ . 1 .]" 1
1535 1 105 LYS H 1 105 LYS HB2 3.400 . 6.000 3.610 3.007 3.686 . 0 0 "[ . 1 .]" 1
1536 1 105 LYS H 1 105 LYS HG3 2.500 . 6.000 2.086 1.748 4.587 . 0 0 "[ . 1 .]" 1
1537 1 105 LYS H 1 106 GLY H 2.300 . 3.000 2.544 2.245 2.753 . 0 0 "[ . 1 .]" 1
1538 1 105 LYS H 1 107 GLU QG 3.800 . 6.000 5.032 4.265 5.669 . 0 0 "[ . 1 .]" 1
1539 1 105 LYS HA 1 105 LYS HB2 2.900 . 3.900 2.516 2.302 2.585 . 0 0 "[ . 1 .]" 1
1540 1 105 LYS HA 1 105 LYS HB3 2.600 . 3.400 2.393 2.306 2.978 . 0 0 "[ . 1 .]" 1
1541 1 105 LYS HA 1 105 LYS QD 3.900 . 6.000 3.714 3.602 3.857 . 0 0 "[ . 1 .]" 1
1542 1 105 LYS HA 1 105 LYS HG3 3.200 . 4.500 3.665 3.573 3.767 . 0 0 "[ . 1 .]" 1
1543 1 105 LYS HA 1 107 GLU QB 2.300 . 6.000 5.649 5.292 6.088 0.088 3 0 "[ . 1 .]" 1
1544 1 105 LYS HB2 1 105 LYS QE 4.800 . 6.000 3.876 3.291 4.181 . 0 0 "[ . 1 .]" 1
1545 1 105 LYS HB2 1 105 LYS HG3 2.800 . 3.700 2.948 2.236 3.008 . 0 0 "[ . 1 .]" 1
1546 1 105 LYS HB2 1 106 GLY H 4.600 . 6.000 4.337 4.256 4.487 . 0 0 "[ . 1 .]" 1
1547 1 105 LYS HB3 1 105 LYS HG2 2.500 . 3.300 2.385 2.303 2.964 . 0 0 "[ . 1 .]" 1
1548 1 105 LYS HB3 1 105 LYS HG3 2.700 . 3.600 2.524 2.445 2.633 . 0 0 "[ . 1 .]" 1
1549 1 105 LYS QD 1 105 LYS HG3 1.900 . 2.300 2.314 2.237 2.375 0.075 15 0 "[ . 1 .]" 1
1550 1 105 LYS QD 1 107 GLU H 2.400 . 3.100 3.138 2.819 3.272 0.172 1 0 "[ . 1 .]" 1
1551 1 105 LYS QD 1 108 ASN H 1.700 . 6.000 5.898 5.668 6.089 0.089 1 0 "[ . 1 .]" 1
1552 1 105 LYS QE 1 105 LYS HG3 2.700 . 3.600 2.500 2.342 2.895 . 0 0 "[ . 1 .]" 1
1553 1 106 GLY H 1 106 GLY HA2 2.900 . 3.900 2.396 2.324 2.463 . 0 0 "[ . 1 .]" 1
1554 1 106 GLY H 1 106 GLY HA3 2.300 . 3.000 2.942 2.908 2.967 . 0 0 "[ . 1 .]" 1
1555 1 106 GLY H 1 107 GLU H 2.400 . 3.100 2.005 1.767 2.202 . 0 0 "[ . 1 .]" 1
1556 1 106 GLY H 1 107 GLU HA 4.100 . 6.000 4.702 4.478 4.887 . 0 0 "[ . 1 .]" 1
1557 1 106 GLY HA3 1 107 GLU H 3.200 . 4.500 3.470 3.377 3.527 . 0 0 "[ . 1 .]" 1
1558 1 107 GLU H 1 107 GLU QB 2.900 . 3.900 2.321 2.206 2.418 . 0 0 "[ . 1 .]" 1
1559 1 107 GLU H 1 107 GLU QG 3.600 . 5.200 3.859 3.319 4.106 . 0 0 "[ . 1 .]" 1
1560 1 107 GLU H 1 108 ASN H 4.200 . 6.000 4.495 4.457 4.537 . 0 0 "[ . 1 .]" 1
1561 1 107 GLU HA 1 107 GLU QG 3.300 . 4.700 2.819 2.218 3.051 . 0 0 "[ . 1 .]" 1
1562 1 107 GLU HA 1 108 ASN H 2.200 . 2.800 2.327 2.215 2.453 . 0 0 "[ . 1 .]" 1
1563 1 107 GLU HA 1 108 ASN QB 4.900 . 6.000 4.457 4.208 4.816 . 0 0 "[ . 1 .]" 1
1564 1 107 GLU HA 1 109 PHE QD 4.900 . 6.000 5.869 4.614 6.202 0.202 3 0 "[ . 1 .]" 1
1565 1 107 GLU QB 1 108 ASN H 3.200 . 4.400 3.093 2.362 3.572 . 0 0 "[ . 1 .]" 1
1566 1 107 GLU QB 1 108 ASN HA 5.300 . 6.000 4.379 3.890 4.787 . 0 0 "[ . 1 .]" 1
1567 1 107 GLU QB 1 109 PHE HA 4.800 . 6.000 5.330 4.502 5.950 . 0 0 "[ . 1 .]" 1
1568 1 107 GLU QG 1 108 ASN H 3.300 . 4.700 2.735 2.182 3.779 . 0 0 "[ . 1 .]" 1
1569 1 108 ASN H 1 108 ASN QB 3.300 . 4.700 2.520 2.335 2.984 . 0 0 "[ . 1 .]" 1
1570 1 108 ASN HA 1 109 PHE H 2.100 . 2.700 2.167 2.109 2.238 . 0 0 "[ . 1 .]" 1
1571 1 108 ASN HA 1 109 PHE HA 4.500 . 6.000 4.327 4.288 4.371 . 0 0 "[ . 1 .]" 1
1572 1 108 ASN HA 1 110 THR HB 3.500 . 6.000 5.882 5.609 6.110 0.110 8 0 "[ . 1 .]" 1
1573 1 108 ASN QB 1 109 PHE H 3.500 . 5.000 3.482 3.202 3.635 . 0 0 "[ . 1 .]" 1
1574 1 108 ASN QB 1 109 PHE HA 4.700 . 5.600 4.090 3.998 4.225 . 0 0 "[ . 1 .]" 1
1575 1 108 ASN QB 1 109 PHE QB 4.800 . 6.000 4.967 4.816 5.118 . 0 0 "[ . 1 .]" 1
1576 1 108 ASN QB 1 110 THR HA 3.700 . 6.000 5.660 5.050 5.805 . 0 0 "[ . 1 .]" 1
1577 1 108 ASN QB 1 110 THR MG 2.400 . 6.000 4.576 3.853 5.108 . 0 0 "[ . 1 .]" 1
1578 1 109 PHE H 1 109 PHE HA 2.800 . 6.000 2.917 2.895 2.940 . 0 0 "[ . 1 .]" 1
1579 1 109 PHE H 1 109 PHE QB 2.900 . 3.800 2.803 2.380 3.052 . 0 0 "[ . 1 .]" 1
1580 1 109 PHE H 1 109 PHE QD 3.100 . 6.000 2.187 1.276 4.126 . 0 0 "[ . 1 .]" 1
1581 1 109 PHE HA 1 109 PHE QB 2.900 . 3.900 2.228 2.134 2.507 . 0 0 "[ . 1 .]" 1
1582 1 109 PHE HA 1 109 PHE QD 2.900 . 6.000 3.299 1.783 3.697 . 0 0 "[ . 1 .]" 1
1583 1 109 PHE HA 1 110 THR H 2.300 . 6.000 2.078 2.015 2.226 . 0 0 "[ . 1 .]" 1
1584 1 109 PHE HA 1 110 THR MG 4.700 . 6.000 3.910 3.341 4.170 . 0 0 "[ . 1 .]" 1
1585 1 109 PHE HA 1 111 GLU H 5.100 . 6.000 6.202 6.167 6.250 0.250 11 0 "[ . 1 .]" 1
1586 1 109 PHE HA 1 113 ASP H 5.700 . 6.000 4.384 4.111 4.927 . 0 0 "[ . 1 .]" 1
1587 1 109 PHE HA 1 113 ASP QB 3.800 . 5.600 1.952 1.691 2.568 0.309 9 0 "[ . 1 .]" 1
1588 1 109 PHE HA 1 114 ILE MD 4.500 . 6.000 3.843 3.108 4.700 . 0 0 "[ . 1 .]" 1
1589 1 109 PHE HA 1 114 ILE QG 4.800 . 6.000 5.179 4.771 5.631 . 0 0 "[ . 1 .]" 1
1590 1 109 PHE HA 1 117 MET ME 2.300 . 6.000 5.933 5.152 6.203 0.203 15 0 "[ . 1 .]" 1
1591 1 109 PHE QB 1 109 PHE QD 3.800 . 5.600 2.140 2.104 2.251 . 0 0 "[ . 1 .]" 1
1592 1 109 PHE QB 1 110 THR H 4.600 . 6.000 3.459 2.696 3.867 . 0 0 "[ . 1 .]" 1
1593 1 109 PHE QB 1 113 ASP HA 4.700 . 6.000 4.971 4.528 6.437 0.437 3 0 "[ . 1 .]" 1
1594 1 109 PHE QB 1 113 ASP QB . . 3.800 2.587 2.174 3.745 . 0 0 "[ . 1 .]" 1
1595 1 109 PHE QB 1 114 ILE HA 4.300 . 6.000 4.424 3.968 5.644 . 0 0 "[ . 1 .]" 1
1596 1 109 PHE QB 1 114 ILE MD 3.400 . 4.200 2.486 2.125 3.120 . 0 0 "[ . 1 .]" 1
1597 1 109 PHE QB 1 117 MET ME 4.000 . 6.000 4.318 4.082 5.315 . 0 0 "[ . 1 .]" 1
1598 1 109 PHE QD 1 110 THR H 4.200 . 6.000 4.541 3.500 4.762 . 0 0 "[ . 1 .]" 1
1599 1 109 PHE QD 1 113 ASP QB 5.200 . 6.000 3.740 2.454 4.658 . 0 0 "[ . 1 .]" 1
1600 1 109 PHE QD 1 114 ILE MD 3.300 . 4.700 2.471 1.890 4.205 0.010 8 0 "[ . 1 .]" 1
1601 1 109 PHE QD 1 116 ILE MD 3.700 . 6.000 6.071 4.695 6.934 0.934 4 2 "[ - +. 1 .]" 1
1602 1 109 PHE QD 1 117 MET ME 2.600 . 6.000 3.995 2.949 4.846 . 0 0 "[ . 1 .]" 1
1603 1 109 PHE QE 1 117 MET ME 1.800 . 6.000 4.744 1.759 6.243 0.243 4 0 "[ . 1 .]" 1
1604 1 110 THR H 1 110 THR HA 3.000 . 4.100 2.897 2.866 2.922 . 0 0 "[ . 1 .]" 1
1605 1 110 THR H 1 110 THR HB 3.500 . 5.100 2.849 2.692 3.302 . 0 0 "[ . 1 .]" 1
1606 1 110 THR H 1 110 THR MG 2.400 . 3.100 2.222 1.995 2.413 . 0 0 "[ . 1 .]" 1
1607 1 110 THR H 1 113 ASP H 3.500 . 5.000 2.918 2.656 3.194 . 0 0 "[ . 1 .]" 1
1608 1 110 THR H 1 113 ASP QB 2.400 . 6.000 1.718 1.267 2.151 . 0 0 "[ . 1 .]" 1
1609 1 110 THR HA 1 110 THR HB 2.400 . 3.100 2.522 2.466 2.573 . 0 0 "[ . 1 .]" 1
1610 1 110 THR HA 1 110 THR HG1 2.600 . 3.500 2.720 2.270 2.985 . 0 0 "[ . 1 .]" 1
1611 1 110 THR HA 1 111 GLU H 2.400 . 3.100 2.465 2.384 2.544 . 0 0 "[ . 1 .]" 1
1612 1 110 THR HA 1 111 GLU HA 4.400 . 6.000 4.310 4.269 4.378 . 0 0 "[ . 1 .]" 1
1613 1 110 THR HA 1 112 THR H 4.300 . 6.000 4.509 4.327 4.670 . 0 0 "[ . 1 .]" 1
1614 1 110 THR HA 1 113 ASP HA 4.400 . 6.000 6.522 6.379 6.786 0.786 2 6 "[ + ** *-* .]" 1
1615 1 110 THR HB 1 110 THR HG1 2.200 . 2.800 1.962 1.893 2.065 . 0 0 "[ . 1 .]" 1
1616 1 110 THR HB 1 111 GLU H 3.100 . 4.300 3.804 3.724 3.873 . 0 0 "[ . 1 .]" 1
1617 1 110 THR HB 1 112 THR H 4.300 . 6.000 4.623 4.386 4.873 . 0 0 "[ . 1 .]" 1
1618 1 110 THR HB 1 113 ASP H 4.600 . 6.000 4.446 4.171 4.748 . 0 0 "[ . 1 .]" 1
1619 1 110 THR HG1 1 111 GLU H 3.200 . 4.500 2.601 2.005 2.917 . 0 0 "[ . 1 .]" 1
1620 1 110 THR MG 1 114 ILE QG 4.400 . 6.000 4.190 4.066 4.320 . 0 0 "[ . 1 .]" 1
1621 1 111 GLU H 1 111 GLU HA 2.700 . 3.600 2.679 2.639 2.726 . 0 0 "[ . 1 .]" 1
1622 1 111 GLU H 1 111 GLU QB 2.500 . 3.300 2.243 2.176 2.376 . 0 0 "[ . 1 .]" 1
1623 1 111 GLU H 1 111 GLU HG2 4.300 . 6.000 4.399 2.515 4.592 . 0 0 "[ . 1 .]" 1
1624 1 111 GLU H 1 112 THR H 2.900 . 3.900 3.053 2.867 3.193 . 0 0 "[ . 1 .]" 1
1625 1 111 GLU H 1 114 ILE HB 4.400 . 6.000 6.127 6.027 6.248 0.248 4 0 "[ . 1 .]" 1
1626 1 111 GLU HA 1 111 GLU QB 2.500 . 3.300 2.345 2.182 2.414 . 0 0 "[ . 1 .]" 1
1627 1 111 GLU HA 1 111 GLU HG2 2.900 . 4.000 3.306 2.853 3.832 . 0 0 "[ . 1 .]" 1
1628 1 111 GLU HA 1 111 GLU HG3 3.400 . 4.800 2.827 2.488 3.729 . 0 0 "[ . 1 .]" 1
1629 1 111 GLU HA 1 112 THR H 3.400 . 4.900 3.557 3.526 3.585 . 0 0 "[ . 1 .]" 1
1630 1 111 GLU HA 1 112 THR HB 5.300 . 6.000 5.910 5.776 6.104 0.104 14 0 "[ . 1 .]" 1
1631 1 111 GLU HA 1 114 ILE HB 3.200 . 4.500 3.754 3.541 3.954 . 0 0 "[ . 1 .]" 1
1632 1 111 GLU HA 1 114 ILE QG 3.200 . 4.500 2.108 1.933 2.537 . 0 0 "[ . 1 .]" 1
1633 1 111 GLU QB 1 111 GLU HG2 2.300 . 3.000 2.299 2.156 2.488 . 0 0 "[ . 1 .]" 1
1634 1 111 GLU QB 1 112 THR H 2.900 . 3.900 2.599 2.372 3.370 . 0 0 "[ . 1 .]" 1
1635 1 111 GLU QB 1 114 ILE HB 3.500 . 6.000 5.396 4.836 5.643 . 0 0 "[ . 1 .]" 1
1636 1 111 GLU HB3 1 112 THR HA 3.400 . 6.000 4.456 4.190 5.629 . 0 0 "[ . 1 .]" 1
1637 1 111 GLU HG2 1 112 THR HA 4.000 . 6.000 4.286 3.594 5.584 . 0 0 "[ . 1 .]" 1
1638 1 111 GLU HG3 1 114 ILE HB 3.300 . 6.000 4.963 4.243 6.788 0.788 3 1 "[ + . 1 .]" 1
1639 1 111 GLU HG3 1 114 ILE MD 5.300 . 6.000 5.533 5.073 6.442 0.442 3 0 "[ . 1 .]" 1
1640 1 111 GLU HG3 1 114 ILE QG 5.200 . 6.000 4.076 3.515 5.284 . 0 0 "[ . 1 .]" 1
1641 1 111 GLU HG3 1 115 LYS HB3 4.600 . 6.000 5.535 4.751 6.457 0.457 14 0 "[ . 1 .]" 1
1642 1 112 THR H 1 112 THR HA 2.400 . 3.100 2.843 2.801 2.881 . 0 0 "[ . 1 .]" 1
1643 1 112 THR H 1 112 THR HB 2.400 . 3.100 2.533 2.339 2.726 . 0 0 "[ . 1 .]" 1
1644 1 112 THR H 1 112 THR HG1 3.300 . 4.600 2.741 2.056 3.390 . 0 0 "[ . 1 .]" 1
1645 1 112 THR H 1 113 ASP H 2.700 . 3.600 2.564 2.398 2.674 . 0 0 "[ . 1 .]" 1
1646 1 112 THR H 1 114 ILE H 4.100 . 6.000 3.989 3.840 4.187 . 0 0 "[ . 1 .]" 1
1647 1 112 THR H 1 115 LYS QG 4.600 . 6.000 4.346 4.026 4.557 . 0 0 "[ . 1 .]" 1
1648 1 112 THR HA 1 112 THR HB 2.500 . 3.300 3.015 2.993 3.025 . 0 0 "[ . 1 .]" 1
1649 1 112 THR HA 1 112 THR HG1 2.400 . 3.100 2.152 2.055 2.353 . 0 0 "[ . 1 .]" 1
1650 1 112 THR HA 1 113 ASP H 3.300 . 4.700 3.500 3.430 3.571 . 0 0 "[ . 1 .]" 1
1651 1 112 THR HA 1 115 LYS HA 5.200 . 6.000 5.623 5.336 5.955 . 0 0 "[ . 1 .]" 1
1652 1 112 THR HA 1 115 LYS HB2 3.900 . 5.800 4.820 4.596 5.065 . 0 0 "[ . 1 .]" 1
1653 1 112 THR HA 1 115 LYS HB3 5.100 . 6.000 4.163 3.880 4.764 . 0 0 "[ . 1 .]" 1
1654 1 112 THR HA 1 115 LYS QG 3.000 . 4.100 1.954 1.780 2.361 0.120 12 0 "[ . 1 .]" 1
1655 1 112 THR HB 1 112 THR HG1 2.300 . 3.000 2.056 1.972 2.082 . 0 0 "[ . 1 .]" 1
1656 1 112 THR HB 1 113 ASP H 2.700 . 3.600 2.884 2.520 3.292 . 0 0 "[ . 1 .]" 1
1657 1 112 THR HB 1 115 LYS QG 4.800 . 6.000 4.478 4.117 4.768 . 0 0 "[ . 1 .]" 1
1658 1 112 THR HG1 1 114 ILE MG 4.100 . 6.000 6.259 6.064 6.410 0.410 12 0 "[ . 1 .]" 1
1659 1 112 THR HG1 1 115 LYS HA 5.300 . 6.000 5.944 5.536 6.067 0.067 6 0 "[ . 1 .]" 1
1660 1 112 THR HG1 1 115 LYS HB2 5.600 . 6.000 4.941 4.375 5.171 . 0 0 "[ . 1 .]" 1
1661 1 112 THR HG1 1 115 LYS QG 3.500 . 5.000 2.829 2.377 3.104 . 0 0 "[ . 1 .]" 1
1662 1 112 THR MG 1 113 ASP HA 3.300 . 4.600 3.520 3.003 4.287 . 0 0 "[ . 1 .]" 1
1663 1 112 THR MG 1 116 ILE HA 4.000 . 6.000 5.131 4.765 5.667 . 0 0 "[ . 1 .]" 1
1664 1 112 THR MG 1 116 ILE HB 3.800 . 5.600 5.071 4.518 5.731 0.131 14 0 "[ . 1 .]" 1
1665 1 113 ASP H 1 113 ASP HA 2.800 . 3.700 2.804 2.734 2.836 . 0 0 "[ . 1 .]" 1
1666 1 113 ASP H 1 113 ASP QB 2.800 . 6.000 2.427 2.177 2.621 . 0 0 "[ . 1 .]" 1
1667 1 113 ASP H 1 114 ILE H 2.600 . 3.400 2.510 2.369 2.724 . 0 0 "[ . 1 .]" 1
1668 1 113 ASP H 1 114 ILE HB 5.300 . 6.000 5.096 4.709 5.617 . 0 0 "[ . 1 .]" 1
1669 1 113 ASP H 1 116 ILE H 4.100 . 6.000 5.311 4.969 5.543 . 0 0 "[ . 1 .]" 1
1670 1 113 ASP H 1 116 ILE MD 4.200 . 6.000 4.041 3.783 4.353 . 0 0 "[ . 1 .]" 1
1671 1 113 ASP HA 1 113 ASP QB 2.800 . 3.700 2.342 2.132 2.406 . 0 0 "[ . 1 .]" 1
1672 1 113 ASP HA 1 114 ILE QG 5.500 . 6.000 4.559 4.495 4.835 . 0 0 "[ . 1 .]" 1
1673 1 113 ASP HA 1 116 ILE H 5.200 . 6.000 4.145 3.786 4.438 . 0 0 "[ . 1 .]" 1
1674 1 113 ASP HA 1 116 ILE HB 4.400 . 6.000 4.926 4.689 5.193 . 0 0 "[ . 1 .]" 1
1675 1 113 ASP HA 1 116 ILE MD 2.900 . 6.000 1.616 1.296 1.952 . 0 0 "[ . 1 .]" 1
1676 1 113 ASP HA 1 116 ILE MG 4.300 . 6.000 3.887 3.597 4.207 . 0 0 "[ . 1 .]" 1
1677 1 113 ASP HA 1 117 MET QB 4.200 . 6.000 5.003 4.591 5.284 . 0 0 "[ . 1 .]" 1
1678 1 113 ASP HA 1 117 MET ME 4.600 . 6.000 5.029 4.434 5.344 . 0 0 "[ . 1 .]" 1
1679 1 113 ASP QB 1 116 ILE MG 5.400 . 6.000 5.375 5.050 5.657 . 0 0 "[ . 1 .]" 1
1680 1 114 ILE H 1 114 ILE QG 2.400 . 3.100 1.668 1.562 1.818 0.138 2 0 "[ . 1 .]" 1
1681 1 114 ILE H 1 115 LYS H 2.200 . 2.800 2.339 2.158 2.657 . 0 0 "[ . 1 .]" 1
1682 1 114 ILE H 1 116 ILE MG 4.300 . 6.000 5.169 4.867 5.567 . 0 0 "[ . 1 .]" 1
1683 1 114 ILE HA 1 114 ILE HB 2.800 . 3.800 2.979 2.927 3.002 . 0 0 "[ . 1 .]" 1
1684 1 114 ILE HA 1 114 ILE MD 2.700 . 3.600 2.368 2.158 2.684 . 0 0 "[ . 1 .]" 1
1685 1 114 ILE HA 1 114 ILE QG 3.600 . 5.200 3.109 2.953 3.271 . 0 0 "[ . 1 .]" 1
1686 1 114 ILE HA 1 114 ILE MG 2.600 . 3.400 2.224 2.152 2.326 . 0 0 "[ . 1 .]" 1
1687 1 114 ILE HA 1 117 MET H 3.000 . 6.000 3.948 3.762 4.142 . 0 0 "[ . 1 .]" 1
1688 1 114 ILE HA 1 117 MET HA 3.300 . 6.000 6.077 5.904 6.207 0.207 3 0 "[ . 1 .]" 1
1689 1 114 ILE HA 1 117 MET QB 3.000 . 6.000 3.237 3.051 3.429 . 0 0 "[ . 1 .]" 1
1690 1 114 ILE HA 1 117 MET ME 2.000 . 2.500 2.094 1.959 2.212 . 0 0 "[ . 1 .]" 1
1691 1 114 ILE HB 1 114 ILE MD 3.300 . 4.700 3.219 3.214 3.226 . 0 0 "[ . 1 .]" 1
1692 1 114 ILE HB 1 114 ILE MG 2.300 . 2.900 2.121 2.113 2.133 . 0 0 "[ . 1 .]" 1
1693 1 114 ILE HB 1 115 LYS HA 3.400 . 4.900 3.569 3.235 3.923 . 0 0 "[ . 1 .]" 1
1694 1 114 ILE HB 1 115 LYS QG 4.000 . 6.000 3.837 3.295 4.103 . 0 0 "[ . 1 .]" 1
1695 1 114 ILE HB 1 116 ILE H 3.600 . 5.200 4.914 4.429 5.168 . 0 0 "[ . 1 .]" 1
1696 1 114 ILE HB 1 116 ILE QG 3.600 . 6.000 5.017 4.923 5.217 . 0 0 "[ . 1 .]" 1
1697 1 114 ILE HB 1 117 MET ME 2.700 . 6.000 4.182 3.945 4.549 . 0 0 "[ . 1 .]" 1
1698 1 114 ILE HB 1 118 GLU HG3 2.900 . 3.900 4.002 3.596 4.200 0.300 4 0 "[ . 1 .]" 1
1699 1 114 ILE MD 1 115 LYS HA 3.900 . 5.800 5.811 5.742 5.855 0.055 1 0 "[ . 1 .]" 1
1700 1 114 ILE MD 1 115 LYS QG 3.300 . 6.000 5.250 5.038 5.350 . 0 0 "[ . 1 .]" 1
1701 1 114 ILE MD 1 116 ILE H 3.800 . 6.000 5.889 5.545 6.029 0.029 8 0 "[ . 1 .]" 1
1702 1 114 ILE MD 1 117 MET H 4.100 . 6.000 5.603 5.373 5.975 . 0 0 "[ . 1 .]" 1
1703 1 114 ILE MD 1 117 MET ME 2.900 . 3.900 3.203 2.776 3.640 . 0 0 "[ . 1 .]" 1
1704 1 114 ILE MD 1 118 GLU HG2 5.200 . 6.000 5.652 4.796 6.018 0.018 3 0 "[ . 1 .]" 1
1705 1 114 ILE MD 1 118 GLU HG3 4.900 . 6.000 4.968 4.207 5.304 . 0 0 "[ . 1 .]" 1
1706 1 114 ILE QG 1 114 ILE MG 3.700 . 5.400 2.353 2.330 2.377 . 0 0 "[ . 1 .]" 1
1707 1 114 ILE QG 1 115 LYS H 3.700 . 5.400 3.122 2.834 3.426 . 0 0 "[ . 1 .]" 1
1708 1 114 ILE QG 1 115 LYS HA 5.000 . 6.000 5.127 4.767 5.476 . 0 0 "[ . 1 .]" 1
1709 1 114 ILE QG 1 115 LYS HB2 4.200 . 6.000 6.196 5.834 6.508 0.508 15 1 "[ . 1 +]" 1
1710 1 114 ILE QG 1 115 LYS HB3 3.800 . 6.000 5.024 4.575 5.407 . 0 0 "[ . 1 .]" 1
1711 1 114 ILE MG 1 115 LYS HA 3.300 . 4.700 3.817 3.485 4.028 . 0 0 "[ . 1 .]" 1
1712 1 114 ILE MG 1 116 ILE QG 3.900 . 6.000 5.056 4.915 5.219 . 0 0 "[ . 1 .]" 1
1713 1 114 ILE MG 1 118 GLU HG3 2.800 . 3.700 2.498 2.236 2.752 . 0 0 "[ . 1 .]" 1
1714 1 115 LYS H 1 115 LYS HB2 3.000 . 4.100 3.559 3.527 3.596 . 0 0 "[ . 1 .]" 1
1715 1 115 LYS H 1 115 LYS HB3 3.000 . 4.100 2.729 2.598 2.807 . 0 0 "[ . 1 .]" 1
1716 1 115 LYS H 1 115 LYS QG 2.300 . 2.900 2.066 1.823 2.283 . 0 0 "[ . 1 .]" 1
1717 1 115 LYS H 1 116 ILE H 2.800 . 3.800 2.798 2.548 2.877 . 0 0 "[ . 1 .]" 1
1718 1 115 LYS H 1 116 ILE HB 3.300 . 6.000 6.136 6.085 6.186 0.186 11 0 "[ . 1 .]" 1
1719 1 115 LYS H 1 116 ILE MG 4.100 . 6.000 4.574 4.426 4.775 . 0 0 "[ . 1 .]" 1
1720 1 115 LYS H 1 118 GLU HB2 3.000 . 6.000 5.329 5.106 5.616 . 0 0 "[ . 1 .]" 1
1721 1 115 LYS HA 1 115 LYS HB2 2.600 . 3.400 2.516 2.431 2.580 . 0 0 "[ . 1 .]" 1
1722 1 115 LYS HA 1 115 LYS QG 3.200 . 4.500 3.282 3.210 3.331 . 0 0 "[ . 1 .]" 1
1723 1 115 LYS HA 1 116 ILE H 4.000 . 6.000 3.572 3.448 3.622 . 0 0 "[ . 1 .]" 1
1724 1 115 LYS HA 1 117 MET ME 4.000 . 6.000 4.661 4.345 5.066 . 0 0 "[ . 1 .]" 1
1725 1 115 LYS HA 1 117 MET HG2 3.700 . 6.000 6.114 5.994 6.181 0.181 11 0 "[ . 1 .]" 1
1726 1 115 LYS HA 1 118 GLU H 4.100 . 6.000 3.505 3.255 3.711 . 0 0 "[ . 1 .]" 1
1727 1 115 LYS HA 1 118 GLU HA 5.700 . 6.000 5.394 5.234 5.575 . 0 0 "[ . 1 .]" 1
1728 1 115 LYS HA 1 118 GLU HB2 2.500 . 3.300 2.874 2.623 3.142 . 0 0 "[ . 1 .]" 1
1729 1 115 LYS HA 1 118 GLU HB3 4.300 . 6.000 4.538 4.308 4.874 . 0 0 "[ . 1 .]" 1
1730 1 115 LYS HA 1 118 GLU HG2 4.300 . 6.000 4.777 4.502 5.247 . 0 0 "[ . 1 .]" 1
1731 1 115 LYS HA 1 118 GLU HG3 3.400 . 4.800 3.192 2.831 3.705 . 0 0 "[ . 1 .]" 1
1732 1 115 LYS HA 1 119 ARG HB3 2.400 . 6.000 3.581 3.128 3.790 . 0 0 "[ . 1 .]" 1
1733 1 115 LYS HB2 1 115 LYS QG 2.600 . 2.800 2.456 2.384 2.500 . 0 0 "[ . 1 .]" 1
1734 1 115 LYS HB2 1 116 ILE H 3.200 . 4.500 3.335 3.076 3.936 . 0 0 "[ . 1 .]" 1
1735 1 115 LYS HB2 1 119 ARG HD3 1.600 . 6.000 6.170 5.464 6.422 0.422 10 0 "[ . 1 .]" 1
1736 1 115 LYS HB2 1 119 ARG HE 2.400 . 6.000 5.660 5.110 6.078 0.078 12 0 "[ . 1 .]" 1
1737 1 115 LYS QD 1 116 ILE MD 4.800 . 6.000 5.146 4.757 5.442 . 0 0 "[ . 1 .]" 1
1738 1 115 LYS QE 1 115 LYS QG 3.000 . 4.100 2.234 2.148 2.403 . 0 0 "[ . 1 .]" 1
1739 1 115 LYS QE 1 117 MET HA 5.300 . 6.000 6.599 6.335 7.456 1.456 6 4 "[- .+ *1* .]" 1
1740 1 115 LYS QG 1 116 ILE H 1.600 . 2.200 1.522 1.385 2.222 0.022 4 0 "[ . 1 .]" 1
1741 1 115 LYS QG 1 116 ILE HB 4.500 . 6.000 4.730 4.561 5.208 . 0 0 "[ . 1 .]" 1
1742 1 115 LYS QG 1 116 ILE MD 3.600 . 5.200 4.032 3.859 4.436 . 0 0 "[ . 1 .]" 1
1743 1 115 LYS QG 1 116 ILE QG 5.500 . 6.000 2.708 2.356 3.164 . 0 0 "[ . 1 .]" 1
1744 1 115 LYS QG 1 116 ILE MG 3.100 . 4.300 2.695 2.543 3.095 . 0 0 "[ . 1 .]" 1
1745 1 115 LYS QG 1 117 MET H 5.000 . 6.000 4.211 3.910 4.381 . 0 0 "[ . 1 .]" 1
1746 1 115 LYS QG 1 118 GLU H 3.600 . 6.000 5.277 5.175 5.398 . 0 0 "[ . 1 .]" 1
1747 1 115 LYS QG 1 119 ARG HB3 3.400 . 4.900 4.751 4.629 4.857 . 0 0 "[ . 1 .]" 1
1748 1 115 LYS QG 1 119 ARG QG 4.100 . 6.000 4.215 3.906 5.180 . 0 0 "[ . 1 .]" 1
1749 1 116 ILE H 1 116 ILE HA 2.700 . 3.600 2.722 2.682 2.871 . 0 0 "[ . 1 .]" 1
1750 1 116 ILE H 1 116 ILE MD 3.700 . 5.400 3.419 3.318 3.505 . 0 0 "[ . 1 .]" 1
1751 1 116 ILE H 1 116 ILE QG 2.200 . 6.000 1.692 1.599 1.783 . 0 0 "[ . 1 .]" 1
1752 1 116 ILE H 1 116 ILE MG 3.300 . 4.600 2.352 2.223 2.681 . 0 0 "[ . 1 .]" 1
1753 1 116 ILE H 1 117 MET H 3.000 . 4.200 2.908 2.368 3.049 . 0 0 "[ . 1 .]" 1
1754 1 116 ILE HA 1 116 ILE HB 2.700 . 3.600 2.571 2.548 2.614 . 0 0 "[ . 1 .]" 1
1755 1 116 ILE HA 1 116 ILE MD 3.700 . 5.400 4.146 4.123 4.179 . 0 0 "[ . 1 .]" 1
1756 1 116 ILE HA 1 116 ILE QG 3.200 . 4.500 3.186 3.145 3.215 . 0 0 "[ . 1 .]" 1
1757 1 116 ILE HA 1 116 ILE MG 2.500 . 3.300 2.238 2.215 2.256 . 0 0 "[ . 1 .]" 1
1758 1 116 ILE HA 1 117 MET H 3.600 . 5.200 3.529 3.412 3.564 . 0 0 "[ . 1 .]" 1
1759 1 116 ILE HA 1 117 MET ME 3.700 . 6.000 6.152 6.103 6.222 0.222 1 0 "[ . 1 .]" 1
1760 1 116 ILE HA 1 118 GLU H 3.100 . 6.000 4.999 4.860 5.126 . 0 0 "[ . 1 .]" 1
1761 1 116 ILE HA 1 119 ARG H 3.600 . 5.300 3.847 3.700 4.084 . 0 0 "[ . 1 .]" 1
1762 1 116 ILE HA 1 119 ARG HB2 4.500 . 6.000 4.538 4.392 4.856 . 0 0 "[ . 1 .]" 1
1763 1 116 ILE HA 1 119 ARG HB3 3.500 . 5.100 3.736 3.539 3.894 . 0 0 "[ . 1 .]" 1
1764 1 116 ILE HA 1 120 VAL QG 3.200 . 4.400 3.078 2.799 3.182 . 0 0 "[ . 1 .]" 1
1765 1 116 ILE HB 1 116 ILE MD 2.400 . 3.100 2.403 2.305 2.520 . 0 0 "[ . 1 .]" 1
1766 1 116 ILE HB 1 116 ILE MG 2.300 . 3.000 2.129 2.122 2.134 . 0 0 "[ . 1 .]" 1
1767 1 116 ILE HB 1 117 MET ME 3.000 . 6.000 5.825 5.658 6.125 0.125 15 0 "[ . 1 .]" 1
1768 1 116 ILE HB 1 120 VAL H 3.600 . 5.300 5.038 4.841 5.258 . 0 0 "[ . 1 .]" 1
1769 1 116 ILE MD 1 116 ILE MG 2.000 . 2.500 2.032 1.945 2.225 . 0 0 "[ . 1 .]" 1
1770 1 116 ILE MD 1 118 GLU HG3 4.600 . 6.000 6.286 6.203 6.447 0.447 15 0 "[ . 1 .]" 1
1771 1 116 ILE MD 1 119 ARG HD2 4.600 . 6.000 6.196 5.762 6.345 0.345 7 0 "[ . 1 .]" 1
1772 1 116 ILE QG 1 117 MET QB 3.800 . 5.600 2.830 2.686 3.226 . 0 0 "[ . 1 .]" 1
1773 1 116 ILE QG 1 117 MET HG2 4.800 . 6.000 5.155 5.015 5.608 . 0 0 "[ . 1 .]" 1
1774 1 116 ILE QG 1 119 ARG HB3 3.700 . 6.000 5.531 5.406 5.612 . 0 0 "[ . 1 .]" 1
1775 1 116 ILE QG 1 119 ARG QG 3.700 . 5.500 4.188 4.041 4.718 . 0 0 "[ . 1 .]" 1
1776 1 116 ILE QG 1 120 VAL HB 4.600 . 6.000 5.853 5.751 5.992 . 0 0 "[ . 1 .]" 1
1777 1 116 ILE QG 1 120 VAL QG 4.700 . 6.000 4.331 4.223 4.442 . 0 0 "[ . 1 .]" 1
1778 1 116 ILE MG 1 117 MET HA 4.300 . 6.000 5.227 5.167 5.341 . 0 0 "[ . 1 .]" 1
1779 1 116 ILE MG 1 117 MET QB 4.500 . 6.000 5.097 5.002 5.325 . 0 0 "[ . 1 .]" 1
1780 1 116 ILE MG 1 120 VAL QG 4.000 . 4.300 3.768 3.615 3.913 . 0 0 "[ . 1 .]" 1
1781 1 117 MET H 1 118 GLU H 2.600 . 3.400 2.685 2.408 2.823 . 0 0 "[ . 1 .]" 1
1782 1 117 MET H 1 118 GLU HB2 3.100 . 6.000 5.078 4.683 5.284 . 0 0 "[ . 1 .]" 1
1783 1 117 MET H 1 119 ARG H 4.300 . 6.000 3.729 3.365 3.904 . 0 0 "[ . 1 .]" 1
1784 1 117 MET H 1 119 ARG QG 6.000 . 6.000 4.001 3.666 4.448 . 0 0 "[ . 1 .]" 1
1785 1 117 MET H 1 120 VAL HB 3.300 . 6.000 5.461 5.242 5.678 . 0 0 "[ . 1 .]" 1
1786 1 117 MET H 1 120 VAL QG 4.600 . 6.000 4.294 4.217 4.431 . 0 0 "[ . 1 .]" 1
1787 1 117 MET HA 1 117 MET ME 3.300 . 4.600 4.140 4.103 4.175 . 0 0 "[ . 1 .]" 1
1788 1 117 MET HA 1 117 MET HG2 3.200 . 4.500 3.227 3.157 3.323 . 0 0 "[ . 1 .]" 1
1789 1 117 MET HA 1 118 GLU H 3.800 . 5.600 3.540 3.509 3.554 . 0 0 "[ . 1 .]" 1
1790 1 117 MET HA 1 118 GLU HA 3.900 . 5.800 4.742 4.656 4.809 . 0 0 "[ . 1 .]" 1
1791 1 117 MET HA 1 119 ARG H 4.700 . 6.000 4.002 3.591 4.349 . 0 0 "[ . 1 .]" 1
1792 1 117 MET HA 1 119 ARG HD3 4.200 . 6.000 5.961 5.655 6.216 0.216 6 0 "[ . 1 .]" 1
1793 1 117 MET HA 1 120 VAL H 2.700 . 3.600 3.432 3.161 3.612 0.012 15 0 "[ . 1 .]" 1
1794 1 117 MET HA 1 120 VAL HB 2.900 . 4.000 3.147 2.836 3.353 . 0 0 "[ . 1 .]" 1
1795 1 117 MET HA 1 121 VAL H 3.400 . 4.800 3.565 3.362 3.842 . 0 0 "[ . 1 .]" 1
1796 1 117 MET HA 1 121 VAL QG 3.800 . 5.600 4.107 3.086 4.372 . 0 0 "[ . 1 .]" 1
1797 1 117 MET QB 1 118 GLU H 2.200 . 6.000 2.480 2.260 2.719 . 0 0 "[ . 1 .]" 1
1798 1 117 MET QB 1 118 GLU HG2 4.500 . 6.000 4.055 3.687 4.263 . 0 0 "[ . 1 .]" 1
1799 1 117 MET QB 1 119 ARG QG 4.100 . 6.000 5.079 4.984 5.313 . 0 0 "[ . 1 .]" 1
1800 1 117 MET QB 1 120 VAL HB 3.300 . 6.000 4.958 4.699 5.156 . 0 0 "[ . 1 .]" 1
1801 1 117 MET QB 1 120 VAL QG 3.500 . 5.000 4.509 4.439 4.573 . 0 0 "[ . 1 .]" 1
1802 1 117 MET QB 1 121 VAL QG 5.200 . 6.000 4.272 3.619 4.453 . 0 0 "[ . 1 .]" 1
1803 1 117 MET ME 1 117 MET HG2 2.900 . 3.900 2.650 2.593 2.764 . 0 0 "[ . 1 .]" 1
1804 1 117 MET ME 1 118 GLU HG2 3.700 . 5.400 2.318 1.991 2.704 0.009 2 0 "[ . 1 .]" 1
1805 1 117 MET ME 1 118 GLU HG3 2.400 . 3.100 2.232 1.951 2.535 . 0 0 "[ . 1 .]" 1
1806 1 117 MET ME 1 120 VAL QG 2.200 . 6.000 5.775 5.697 5.825 . 0 0 "[ . 1 .]" 1
1807 1 117 MET ME 1 121 VAL QG 3.000 . 6.000 4.469 3.989 4.647 . 0 0 "[ . 1 .]" 1
1808 1 117 MET QG 1 120 VAL H 3.000 . 6.000 4.697 4.394 4.837 . 0 0 "[ . 1 .]" 1
1809 1 117 MET HG2 1 121 VAL HA 4.500 . 6.000 6.134 6.065 6.258 0.258 13 0 "[ . 1 .]" 1
1810 1 117 MET HG2 1 121 VAL QG 2.700 . 3.600 3.062 2.580 3.202 . 0 0 "[ . 1 .]" 1
1811 1 117 MET HG3 1 118 GLU H 3.900 . 5.800 4.084 3.934 4.237 . 0 0 "[ . 1 .]" 1
1812 1 117 MET HG3 1 119 ARG H 3.800 . 5.600 5.655 5.352 5.830 0.230 15 0 "[ . 1 .]" 1
1813 1 118 GLU H 1 118 GLU HB3 3.000 . 4.200 3.567 3.490 3.590 . 0 0 "[ . 1 .]" 1
1814 1 118 GLU H 1 119 ARG H 2.600 . 3.500 2.595 2.532 2.670 . 0 0 "[ . 1 .]" 1
1815 1 118 GLU H 1 120 VAL QG 4.500 . 6.000 5.020 4.948 5.101 . 0 0 "[ . 1 .]" 1
1816 1 118 GLU H 1 121 VAL QG 5.500 . 6.000 4.264 3.873 4.371 . 0 0 "[ . 1 .]" 1
1817 1 118 GLU HA 1 118 GLU HB3 2.900 . 3.900 2.348 2.291 2.402 . 0 0 "[ . 1 .]" 1
1818 1 118 GLU HA 1 118 GLU HG2 3.300 . 4.600 2.755 2.625 2.903 . 0 0 "[ . 1 .]" 1
1819 1 118 GLU HA 1 118 GLU HG3 4.000 . 6.000 3.399 3.340 3.556 . 0 0 "[ . 1 .]" 1
1820 1 118 GLU HA 1 119 ARG HB3 4.300 . 6.000 5.531 5.438 5.642 . 0 0 "[ . 1 .]" 1
1821 1 118 GLU HA 1 120 VAL H 4.100 . 6.000 4.483 4.125 4.705 . 0 0 "[ . 1 .]" 1
1822 1 118 GLU HA 1 121 VAL H 3.100 . 4.300 3.960 3.859 4.091 . 0 0 "[ . 1 .]" 1
1823 1 118 GLU HA 1 121 VAL HB 3.500 . 5.100 3.838 3.554 5.091 . 0 0 "[ . 1 .]" 1
1824 1 118 GLU HA 1 121 VAL QG 2.400 . 3.100 2.261 2.142 2.342 . 0 0 "[ . 1 .]" 1
1825 1 118 GLU HB2 1 121 VAL QG 3.500 . 5.000 4.725 4.558 4.853 . 0 0 "[ . 1 .]" 1
1826 1 118 GLU HB3 1 119 ARG H 3.500 . 5.000 4.053 3.702 4.376 . 0 0 "[ . 1 .]" 1
1827 1 118 GLU HB3 1 121 VAL H 3.300 . 6.000 5.996 5.723 6.149 0.149 4 0 "[ . 1 .]" 1
1828 1 118 GLU HG2 1 121 VAL QG 3.300 . 4.600 4.245 3.933 4.456 . 0 0 "[ . 1 .]" 1
1829 1 118 GLU HG3 1 121 VAL QG 4.200 . 6.000 4.991 4.637 5.184 . 0 0 "[ . 1 .]" 1
1830 1 119 ARG H 1 119 ARG HB3 2.600 . 3.400 2.474 2.288 2.668 . 0 0 "[ . 1 .]" 1
1831 1 119 ARG H 1 119 ARG QG 3.800 . 5.600 2.425 2.298 2.611 . 0 0 "[ . 1 .]" 1
1832 1 119 ARG H 1 120 VAL H 2.500 . 3.300 2.379 2.139 2.609 . 0 0 "[ . 1 .]" 1
1833 1 119 ARG H 1 120 VAL QG 4.600 . 6.000 3.798 3.563 4.059 . 0 0 "[ . 1 .]" 1
1834 1 119 ARG H 1 121 VAL H 4.400 . 6.000 3.931 3.656 4.236 . 0 0 "[ . 1 .]" 1
1835 1 119 ARG H 1 121 VAL QG 4.800 . 6.000 4.371 3.864 4.628 . 0 0 "[ . 1 .]" 1
1836 1 119 ARG H 1 122 GLU H 3.300 . 4.700 4.309 4.152 4.477 . 0 0 "[ . 1 .]" 1
1837 1 119 ARG HA 1 119 ARG HB3 2.500 . 3.300 2.588 2.546 2.665 . 0 0 "[ . 1 .]" 1
1838 1 119 ARG HA 1 119 ARG HD3 5.100 . 6.000 4.194 3.636 5.483 . 0 0 "[ . 1 .]" 1
1839 1 119 ARG HA 1 119 ARG QG 3.700 . 5.400 3.445 3.260 3.512 . 0 0 "[ . 1 .]" 1
1840 1 119 ARG HA 1 120 VAL H 4.300 . 6.000 3.524 3.473 3.564 . 0 0 "[ . 1 .]" 1
1841 1 119 ARG HA 1 120 VAL QG 4.700 . 6.000 4.699 4.579 4.783 . 0 0 "[ . 1 .]" 1
1842 1 119 ARG HA 1 122 GLU H 3.900 . 5.800 3.758 3.546 3.925 . 0 0 "[ . 1 .]" 1
1843 1 119 ARG HA 1 122 GLU HA 4.700 . 6.000 5.474 5.298 5.600 . 0 0 "[ . 1 .]" 1
1844 1 119 ARG HA 1 122 GLU HB3 2.300 . 3.000 2.781 2.562 2.884 . 0 0 "[ . 1 .]" 1
1845 1 119 ARG HA 1 122 GLU HG3 3.300 . 4.600 4.257 3.290 4.403 . 0 0 "[ . 1 .]" 1
1846 1 119 ARG HA 1 123 GLN H 4.800 . 6.000 4.100 3.951 4.209 . 0 0 "[ . 1 .]" 1
1847 1 119 ARG HA 1 123 GLN HA 4.600 . 6.000 6.010 5.796 6.136 0.136 15 0 "[ . 1 .]" 1
1848 1 119 ARG HA 1 123 GLN QG 3.300 . 6.000 4.638 3.975 5.152 . 0 0 "[ . 1 .]" 1
1849 1 119 ARG HB2 1 122 GLU HG3 3.400 . 6.000 5.990 5.053 6.108 0.108 9 0 "[ . 1 .]" 1
1850 1 119 ARG HB3 1 119 ARG HD3 3.500 . 5.100 3.784 3.617 4.000 . 0 0 "[ . 1 .]" 1
1851 1 119 ARG HB3 1 121 VAL H 5.100 . 6.000 5.883 5.641 6.077 0.077 2 0 "[ . 1 .]" 1
1852 1 119 ARG HD3 1 119 ARG HE 3.000 . 6.000 2.707 2.344 2.940 . 0 0 "[ . 1 .]" 1
1853 1 119 ARG HD3 1 119 ARG QG 2.600 . 3.400 2.249 2.082 2.356 . 0 0 "[ . 1 .]" 1
1854 1 119 ARG HD3 1 120 VAL QG 4.400 . 6.000 2.443 2.098 2.850 . 0 0 "[ . 1 .]" 1
1855 1 119 ARG HD3 1 123 GLN QG 5.100 . 6.000 4.098 3.246 5.425 . 0 0 "[ . 1 .]" 1
1856 1 119 ARG HE 1 120 VAL QG 4.000 . 6.000 4.183 3.977 4.426 . 0 0 "[ . 1 .]" 1
1857 1 119 ARG HE 1 123 GLN QE 4.300 . 6.000 4.752 2.421 5.855 . 0 0 "[ . 1 .]" 1
1858 1 119 ARG QG 1 123 GLN QG 2.200 . 6.000 4.862 3.206 5.545 . 0 0 "[ . 1 .]" 1
1859 1 120 VAL H 1 120 VAL QG . . 3.000 2.154 1.951 2.432 0.049 6 0 "[ . 1 .]" 1
1860 1 120 VAL H 1 121 VAL H 2.600 . 3.400 2.427 2.381 2.486 . 0 0 "[ . 1 .]" 1
1861 1 120 VAL H 1 121 VAL HB 3.900 . 5.800 4.311 4.108 5.907 0.107 2 0 "[ . 1 .]" 1
1862 1 120 VAL H 1 121 VAL QG 3.200 . 4.500 4.175 3.315 4.343 . 0 0 "[ . 1 .]" 1
1863 1 120 VAL H 1 122 GLU H 4.200 . 6.000 3.732 3.595 3.865 . 0 0 "[ . 1 .]" 1
1864 1 120 VAL HA 1 120 VAL HB 3.000 . 4.100 3.043 3.032 3.055 . 0 0 "[ . 1 .]" 1
1865 1 120 VAL HA 1 120 VAL QG 2.500 . 3.300 2.122 2.088 2.160 . 0 0 "[ . 1 .]" 1
1866 1 120 VAL HA 1 121 VAL H 3.400 . 6.000 3.483 3.435 3.525 . 0 0 "[ . 1 .]" 1
1867 1 120 VAL HA 1 121 VAL HA 3.600 . 5.200 4.702 4.673 4.744 . 0 0 "[ . 1 .]" 1
1868 1 120 VAL HA 1 122 GLU H 3.300 . 4.700 4.354 4.219 4.510 . 0 0 "[ . 1 .]" 1
1869 1 120 VAL HA 1 122 GLU HB3 3.700 . 5.400 5.397 5.241 5.530 0.130 13 0 "[ . 1 .]" 1
1870 1 120 VAL HA 1 123 GLN H 3.500 . 5.000 3.495 3.283 3.803 . 0 0 "[ . 1 .]" 1
1871 1 120 VAL HB 1 120 VAL QG 2.200 . 2.800 1.879 1.875 1.886 . 0 0 "[ . 1 .]" 1
1872 1 120 VAL HB 1 121 VAL H 2.500 . 3.300 2.324 2.189 2.410 . 0 0 "[ . 1 .]" 1
1873 1 120 VAL MG1 1 120 VAL MG2 2.000 . 2.500 2.057 2.041 2.079 . 0 0 "[ . 1 .]" 1
1874 1 120 VAL QG 1 121 VAL H 3.600 . 5.200 3.053 2.972 3.126 . 0 0 "[ . 1 .]" 1
1875 1 120 VAL QG 1 121 VAL HA 2.900 . 4.000 3.268 3.025 3.496 . 0 0 "[ . 1 .]" 1
1876 1 120 VAL QG 1 121 VAL HB 3.500 . 5.000 4.085 3.889 4.725 . 0 0 "[ . 1 .]" 1
1877 1 120 VAL QG 1 121 VAL QG 2.700 . 6.000 3.631 3.032 3.873 . 0 0 "[ . 1 .]" 1
1878 1 120 VAL QG 1 122 GLU H 3.800 . 5.600 4.467 4.361 4.565 . 0 0 "[ . 1 .]" 1
1879 1 120 VAL QG 1 122 GLU HG2 3.100 . 6.000 5.586 5.350 6.032 0.032 3 0 "[ . 1 .]" 1
1880 1 120 VAL QG 1 123 GLN H 4.800 . 6.000 4.351 4.178 4.612 . 0 0 "[ . 1 .]" 1
1881 1 120 VAL QG 1 123 GLN QG 4.000 . 6.000 3.330 2.975 3.606 . 0 0 "[ . 1 .]" 1
1882 1 120 VAL QG 1 124 MET HA 4.600 . 6.000 5.217 4.870 5.544 . 0 0 "[ . 1 .]" 1
1883 1 120 VAL QG 1 124 MET QG 4.100 . 6.000 2.808 2.386 3.574 . 0 0 "[ . 1 .]" 1
1884 1 121 VAL H 1 121 VAL QG 2.800 . 3.800 2.677 1.882 2.814 0.118 2 0 "[ . 1 .]" 1
1885 1 121 VAL H 1 122 GLU H 2.900 . 3.900 2.574 2.501 2.668 . 0 0 "[ . 1 .]" 1
1886 1 121 VAL H 1 122 GLU HB3 3.200 . 4.500 4.314 4.139 4.426 . 0 0 "[ . 1 .]" 1
1887 1 121 VAL H 1 123 GLN H 4.400 . 6.000 4.228 4.064 4.385 . 0 0 "[ . 1 .]" 1
1888 1 121 VAL HA 1 121 VAL HB 2.800 . 3.800 2.705 2.373 2.765 . 0 0 "[ . 1 .]" 1
1889 1 121 VAL HA 1 121 VAL QG 2.700 . 3.000 2.131 2.094 2.367 . 0 0 "[ . 1 .]" 1
1890 1 121 VAL HA 1 122 GLU H 3.300 . 4.700 3.496 3.460 3.538 . 0 0 "[ . 1 .]" 1
1891 1 121 VAL HA 1 122 GLU HB3 5.000 . 6.000 5.481 5.405 5.539 . 0 0 "[ . 1 .]" 1
1892 1 121 VAL HA 1 124 MET H 3.700 . 5.400 3.785 3.601 4.003 . 0 0 "[ . 1 .]" 1
1893 1 121 VAL HA 1 124 MET ME 3.200 . 4.400 3.791 3.290 4.175 . 0 0 "[ . 1 .]" 1
1894 1 121 VAL HA 1 124 MET QG 3.500 . 4.600 2.666 1.819 4.091 0.181 3 0 "[ . 1 .]" 1
1895 1 121 VAL HA 1 125 CYS HA 4.300 . 6.000 5.937 5.629 6.035 0.035 3 0 "[ . 1 .]" 1
1896 1 121 VAL HB 1 122 GLU H 4.600 . 6.000 3.462 3.318 3.820 . 0 0 "[ . 1 .]" 1
1897 1 121 VAL MG1 1 121 VAL MG2 2.200 . 2.800 2.089 2.058 2.106 . 0 0 "[ . 1 .]" 1
1898 1 121 VAL QG 1 122 GLU H 2.700 . 3.600 2.265 2.081 2.465 . 0 0 "[ . 1 .]" 1
1899 1 121 VAL QG 1 124 MET H 4.200 . 6.000 4.619 4.475 4.773 . 0 0 "[ . 1 .]" 1
1900 1 121 VAL QG 1 124 MET ME 3.200 . 6.000 3.641 3.165 4.194 . 0 0 "[ . 1 .]" 1
1901 1 121 VAL QG 1 125 CYS H 3.700 . 5.400 4.381 4.062 4.654 . 0 0 "[ . 1 .]" 1
1902 1 121 VAL QG 1 125 CYS HA 4.200 . 6.000 5.251 5.060 5.677 . 0 0 "[ . 1 .]" 1
1903 1 121 VAL QG 1 125 CYS HB3 4.600 . 6.000 4.766 4.431 4.916 . 0 0 "[ . 1 .]" 1
1904 1 122 GLU H 1 122 GLU HA 2.900 . 3.900 2.802 2.775 2.829 . 0 0 "[ . 1 .]" 1
1905 1 122 GLU H 1 122 GLU HB3 2.000 . 2.500 2.021 1.954 2.049 . 0 0 "[ . 1 .]" 1
1906 1 122 GLU H 1 122 GLU HG2 3.300 . 4.700 3.548 3.284 3.953 . 0 0 "[ . 1 .]" 1
1907 1 122 GLU H 1 123 GLN H 3.000 . 4.100 2.809 2.682 2.907 . 0 0 "[ . 1 .]" 1
1908 1 122 GLU H 1 123 GLN QG 5.200 . 6.000 4.440 4.170 4.698 . 0 0 "[ . 1 .]" 1
1909 1 122 GLU H 1 125 CYS H 4.300 . 6.000 4.651 4.459 4.832 . 0 0 "[ . 1 .]" 1
1910 1 122 GLU HA 1 123 GLN HA 3.600 . 5.200 4.493 4.443 4.560 . 0 0 "[ . 1 .]" 1
1911 1 122 GLU HA 1 125 CYS H 2.800 . 3.800 3.600 3.357 3.769 . 0 0 "[ . 1 .]" 1
1912 1 122 GLU HA 1 125 CYS HB2 2.900 . 4.000 3.111 2.764 3.361 . 0 0 "[ . 1 .]" 1
1913 1 122 GLU HB3 1 123 GLN QG 2.600 . 6.000 4.954 4.330 5.371 . 0 0 "[ . 1 .]" 1
1914 1 122 GLU HB3 1 124 MET H 3.300 . 6.000 5.264 5.002 5.414 . 0 0 "[ . 1 .]" 1
1915 1 122 GLU HB3 1 125 CYS H 4.400 . 6.000 5.582 5.429 5.711 . 0 0 "[ . 1 .]" 1
1916 1 122 GLU HG2 1 123 GLN H 2.900 . 3.900 2.613 2.280 3.560 . 0 0 "[ . 1 .]" 1
1917 1 122 GLU HG3 1 123 GLN H 3.200 . 4.500 3.071 2.074 3.491 . 0 0 "[ . 1 .]" 1
1918 1 122 GLU HG3 1 123 GLN QG 4.100 . 6.000 4.507 3.665 4.912 . 0 0 "[ . 1 .]" 1
1919 1 122 GLU HG3 1 126 VAL QG 1.500 . 6.000 3.617 3.148 4.611 . 0 0 "[ . 1 .]" 1
1920 1 123 GLN H 1 123 GLN HB2 3.500 . 5.100 3.657 3.635 3.686 . 0 0 "[ . 1 .]" 1
1921 1 123 GLN H 1 123 GLN QG 3.200 . 4.100 2.249 2.023 2.491 . 0 0 "[ . 1 .]" 1
1922 1 123 GLN H 1 124 MET H 2.900 . 3.900 2.311 2.172 2.450 . 0 0 "[ . 1 .]" 1
1923 1 123 GLN H 1 124 MET ME 3.500 . 6.000 6.039 5.723 6.181 0.181 12 0 "[ . 1 .]" 1
1924 1 123 GLN H 1 124 MET QG 6.000 . 6.000 3.991 3.372 5.470 . 0 0 "[ . 1 .]" 1
1925 1 123 GLN H 1 125 CYS HB3 4.000 . 6.000 5.101 4.824 5.345 . 0 0 "[ . 1 .]" 1
1926 1 123 GLN HA 1 123 GLN HB2 2.800 . 3.800 2.414 2.326 2.561 . 0 0 "[ . 1 .]" 1
1927 1 123 GLN HA 1 123 GLN HB3 2.800 . 3.800 2.500 2.339 2.608 . 0 0 "[ . 1 .]" 1
1928 1 123 GLN HA 1 123 GLN QG 4.100 . 4.100 3.373 3.297 3.456 . 0 0 "[ . 1 .]" 1
1929 1 123 GLN HA 1 124 MET H 3.900 . 5.800 3.470 3.406 3.509 . 0 0 "[ . 1 .]" 1
1930 1 123 GLN HA 1 126 VAL H 3.400 . 4.800 2.936 2.785 3.135 . 0 0 "[ . 1 .]" 1
1931 1 123 GLN HA 1 126 VAL HB 3.600 . 6.000 3.086 2.241 4.653 . 0 0 "[ . 1 .]" 1
1932 1 123 GLN QB 1 126 VAL QG 2.700 . 6.000 3.331 2.727 3.751 . 0 0 "[ . 1 .]" 1
1933 1 123 GLN HB2 1 124 MET H 3.500 . 5.000 4.072 3.881 4.207 . 0 0 "[ . 1 .]" 1
1934 1 123 GLN HB3 1 123 GLN QG 2.100 . 2.700 2.246 2.130 2.412 . 0 0 "[ . 1 .]" 1
1935 1 123 GLN QG 1 124 MET H 2.600 . 3.500 2.404 2.215 2.555 . 0 0 "[ . 1 .]" 1
1936 1 123 GLN QG 1 124 MET ME 3.100 . 6.000 5.633 5.354 5.862 . 0 0 "[ . 1 .]" 1
1937 1 123 GLN QG 1 125 CYS H 5.300 . 6.000 4.429 4.251 4.655 . 0 0 "[ . 1 .]" 1
1938 1 123 GLN QG 1 127 THR HG1 3.300 . 4.600 3.868 2.978 4.607 0.007 6 0 "[ . 1 .]" 1
1939 1 124 MET H 1 124 MET HA 3.000 . 4.100 2.857 2.776 2.898 . 0 0 "[ . 1 .]" 1
1940 1 124 MET H 1 124 MET QG 2.700 . 3.600 2.305 1.833 3.621 0.021 5 0 "[ . 1 .]" 1
1941 1 124 MET H 1 125 CYS H 2.800 . 3.800 2.406 2.275 2.599 . 0 0 "[ . 1 .]" 1
1942 1 124 MET H 1 125 CYS HB3 4.900 . 6.000 4.834 4.614 4.932 . 0 0 "[ . 1 .]" 1
1943 1 124 MET H 1 127 THR H 4.200 . 6.000 4.367 4.177 4.580 . 0 0 "[ . 1 .]" 1
1944 1 124 MET HA 1 124 MET ME 3.400 . 4.800 3.838 3.492 4.161 . 0 0 "[ . 1 .]" 1
1945 1 124 MET HA 1 124 MET QG 3.600 . 5.200 3.154 1.965 3.491 0.035 13 0 "[ . 1 .]" 1
1946 1 124 MET HA 1 125 CYS H 3.800 . 5.600 3.414 3.329 3.522 . 0 0 "[ . 1 .]" 1
1947 1 124 MET HA 1 127 THR H 4.300 . 6.000 2.677 2.104 3.085 . 0 0 "[ . 1 .]" 1
1948 1 124 MET HA 1 127 THR HB 2.800 . 3.800 1.977 1.768 2.271 0.032 10 0 "[ . 1 .]" 1
1949 1 124 MET HA 1 127 THR HG1 2.800 . 3.800 2.130 1.754 2.648 0.046 2 0 "[ . 1 .]" 1
1950 1 124 MET QB 1 124 MET ME 1.900 . 6.000 1.885 1.681 2.209 . 0 0 "[ . 1 .]" 1
1951 1 124 MET QB 1 124 MET QG 3.000 . 4.100 1.988 1.964 2.019 . 0 0 "[ . 1 .]" 1
1952 1 124 MET QB 1 125 CYS H 3.900 . 6.000 3.473 2.462 3.815 . 0 0 "[ . 1 .]" 1
1953 1 124 MET QB 1 128 GLN H 3.300 . 5.200 4.034 3.457 4.612 . 0 0 "[ . 1 .]" 1
1954 1 124 MET ME 1 124 MET QG 3.400 . 4.800 2.363 2.236 2.477 . 0 0 "[ . 1 .]" 1
1955 1 124 MET ME 1 127 THR HB 3.700 . 5.400 4.269 3.819 4.679 . 0 0 "[ . 1 .]" 1
1956 1 124 MET ME 1 127 THR HG1 3.400 . 4.900 4.542 4.205 4.828 . 0 0 "[ . 1 .]" 1
1957 1 124 MET ME 1 128 GLN H 3.100 . 4.300 4.009 3.352 4.354 0.054 5 0 "[ . 1 .]" 1
1958 1 124 MET ME 1 128 GLN HA 3.100 . 6.000 5.120 4.620 5.860 . 0 0 "[ . 1 .]" 1
1959 1 124 MET ME 1 128 GLN HB3 2.600 . 6.000 4.048 3.221 4.640 . 0 0 "[ . 1 .]" 1
1960 1 124 MET ME 1 128 GLN HG3 3.700 . 5.400 4.702 2.742 5.712 0.312 5 0 "[ . 1 .]" 1
1961 1 124 MET QG 1 125 CYS H 3.300 . 4.700 3.302 2.085 4.383 . 0 0 "[ . 1 .]" 1
1962 1 125 CYS H 1 125 CYS HB2 2.900 . 4.000 2.407 2.283 2.537 . 0 0 "[ . 1 .]" 1
1963 1 125 CYS H 1 125 CYS HB3 2.800 . 3.800 2.674 2.588 2.784 . 0 0 "[ . 1 .]" 1
1964 1 125 CYS H 1 126 VAL H 3.000 . 4.100 2.528 2.378 2.705 . 0 0 "[ . 1 .]" 1
1965 1 125 CYS H 1 127 THR H 5.500 . 6.000 3.897 3.694 4.209 . 0 0 "[ . 1 .]" 1
1966 1 125 CYS HA 1 128 GLN HA 4.800 . 6.000 5.306 4.694 5.688 . 0 0 "[ . 1 .]" 1
1967 1 125 CYS HA 1 128 GLN HB3 3.500 . 5.100 3.248 2.715 4.052 . 0 0 "[ . 1 .]" 1
1968 1 125 CYS HA 1 129 TYR H 4.600 . 6.000 4.150 3.615 4.584 . 0 0 "[ . 1 .]" 1
1969 1 125 CYS HB2 1 126 VAL H 5.200 . 6.000 3.767 3.648 3.882 . 0 0 "[ . 1 .]" 1
1970 1 126 VAL H 1 127 THR HB 4.900 . 6.000 4.758 4.511 4.933 . 0 0 "[ . 1 .]" 1
1971 1 126 VAL H 1 128 GLN H 4.100 . 6.000 4.054 3.766 4.297 . 0 0 "[ . 1 .]" 1
1972 1 126 VAL H 1 129 TYR HB3 4.100 . 6.000 4.991 4.323 6.007 0.007 9 0 "[ . 1 .]" 1
1973 1 126 VAL HA 1 126 VAL QG 2.800 . 3.800 2.228 2.110 2.632 . 0 0 "[ . 1 .]" 1
1974 1 126 VAL HA 1 129 TYR H 3.700 . 5.400 3.085 2.529 3.496 . 0 0 "[ . 1 .]" 1
1975 1 126 VAL HA 1 129 TYR HA 4.600 . 6.000 4.774 3.951 5.765 . 0 0 "[ . 1 .]" 1
1976 1 126 VAL HA 1 130 GLN H 4.800 . 6.000 4.248 3.930 5.064 . 0 0 "[ . 1 .]" 1
1977 1 126 VAL QG 1 127 THR H 2.800 . 6.000 2.593 2.175 2.900 . 0 0 "[ . 1 .]" 1
1978 1 126 VAL QG 1 128 GLN HA 4.000 . 6.000 5.874 5.673 5.985 . 0 0 "[ . 1 .]" 1
1979 1 126 VAL QG 1 129 TYR HA 3.900 . 6.000 5.354 4.595 5.845 . 0 0 "[ . 1 .]" 1
1980 1 126 VAL QG 1 130 GLN QG 3.800 . 5.600 3.534 3.078 4.217 . 0 0 "[ . 1 .]" 1
1981 1 127 THR H 1 127 THR HA 3.000 . 4.100 2.770 2.743 2.799 . 0 0 "[ . 1 .]" 1
1982 1 127 THR H 1 127 THR HB 2.800 . 3.800 2.622 2.525 2.736 . 0 0 "[ . 1 .]" 1
1983 1 127 THR H 1 127 THR HG1 3.300 . 4.700 2.054 1.890 2.229 0.010 14 0 "[ . 1 .]" 1
1984 1 127 THR H 1 128 GLN H 2.800 . 3.800 2.794 2.623 2.968 . 0 0 "[ . 1 .]" 1
1985 1 127 THR H 1 130 GLN H 3.600 . 5.300 5.018 4.803 5.232 . 0 0 "[ . 1 .]" 1
1986 1 127 THR H 1 130 GLN QG 4.000 . 6.000 4.575 4.269 5.034 . 0 0 "[ . 1 .]" 1
1987 1 127 THR H 1 131 GLN H 2.100 . 6.000 6.055 5.974 6.174 0.174 10 0 "[ . 1 .]" 1
1988 1 127 THR HA 1 127 THR MG 2.700 . 3.600 2.369 2.299 2.434 . 0 0 "[ . 1 .]" 1
1989 1 127 THR HA 1 128 GLN H 4.000 . 6.000 3.567 3.521 3.601 . 0 0 "[ . 1 .]" 1
1990 1 127 THR HA 1 130 GLN HB2 4.100 . 6.000 5.385 5.081 5.844 . 0 0 "[ . 1 .]" 1
1991 1 127 THR HA 1 130 GLN HB3 4.900 . 6.000 4.738 4.453 4.983 . 0 0 "[ . 1 .]" 1
1992 1 127 THR HA 1 130 GLN QG 4.400 . 6.000 2.483 2.209 2.922 . 0 0 "[ . 1 .]" 1
1993 1 127 THR HB 1 127 THR HG1 2.300 . 3.000 1.960 1.908 2.050 . 0 0 "[ . 1 .]" 1
1994 1 127 THR HB 1 128 GLN H 2.700 . 3.600 2.417 2.278 2.641 . 0 0 "[ . 1 .]" 1
1995 1 127 THR HG1 1 128 GLN H 4.300 . 6.000 3.229 3.120 3.362 . 0 0 "[ . 1 .]" 1
1996 1 127 THR MG 1 128 GLN HA 3.600 . 5.200 3.611 3.438 3.780 . 0 0 "[ . 1 .]" 1
1997 1 127 THR MG 1 130 GLN HB3 4.000 . 6.000 5.799 5.488 5.964 . 0 0 "[ . 1 .]" 1
1998 1 127 THR MG 1 130 GLN QG 3.400 . 4.800 3.423 3.003 3.505 . 0 0 "[ . 1 .]" 1
1999 1 127 THR MG 1 131 GLN QG 3.800 . 5.600 4.654 2.897 5.082 . 0 0 "[ . 1 .]" 1
2000 1 128 GLN H 1 128 GLN HA 2.900 . 4.000 2.832 2.733 2.875 . 0 0 "[ . 1 .]" 1
2001 1 128 GLN H 1 128 GLN HG3 5.200 . 6.000 4.413 3.981 4.558 . 0 0 "[ . 1 .]" 1
2002 1 128 GLN H 1 129 TYR H 3.000 . 4.100 2.713 2.511 3.040 . 0 0 "[ . 1 .]" 1
2003 1 128 GLN H 1 131 GLN QB 3.900 . 5.800 4.341 4.087 4.982 . 0 0 "[ . 1 .]" 1
2004 1 128 GLN H 1 132 GLU H 3.900 . 5.800 5.536 5.300 5.750 . 0 0 "[ . 1 .]" 1
2005 1 128 GLN HA 1 128 GLN HG3 3.200 . 4.500 2.723 2.134 3.569 . 0 0 "[ . 1 .]" 1
2006 1 128 GLN HA 1 129 TYR H 3.700 . 5.400 3.428 3.323 3.598 . 0 0 "[ . 1 .]" 1
2007 1 128 GLN HA 1 129 TYR HB3 3.400 . 6.000 5.605 5.435 5.857 . 0 0 "[ . 1 .]" 1
2008 1 128 GLN HA 1 131 GLN HA 5.500 . 6.000 4.708 4.141 5.176 . 0 0 "[ . 1 .]" 1
2009 1 128 GLN HA 1 131 GLN QB 2.300 . 3.000 1.925 1.550 2.366 0.050 3 0 "[ . 1 .]" 1
2010 1 128 GLN HA 1 131 GLN QG 4.500 . 6.000 3.615 2.103 4.243 . 0 0 "[ . 1 .]" 1
2011 1 128 GLN HA 1 132 GLU H 4.500 . 6.000 3.300 2.858 3.540 . 0 0 "[ . 1 .]" 1
2012 1 128 GLN HA 1 132 GLU QB 4.600 . 5.800 4.239 3.686 4.645 . 0 0 "[ . 1 .]" 1
2013 1 128 GLN HA 1 132 GLU QG 4.200 . 6.000 4.800 3.255 5.762 . 0 0 "[ . 1 .]" 1
2014 1 128 GLN HB3 1 129 TYR H 3.600 . 5.200 3.389 2.707 3.891 . 0 0 "[ . 1 .]" 1
2015 1 128 GLN HB3 1 130 GLN H 3.500 . 6.000 5.565 4.993 5.876 . 0 0 "[ . 1 .]" 1
2016 1 128 GLN HB3 1 132 GLU H 3.800 . 5.600 4.582 3.385 4.985 . 0 0 "[ . 1 .]" 1
2017 1 128 GLN HG3 1 132 GLU QB 3.700 . 5.400 3.841 3.236 5.266 . 0 0 "[ . 1 .]" 1
2018 1 129 TYR H 1 129 TYR HA 2.800 . 3.800 2.846 2.708 2.928 . 0 0 "[ . 1 .]" 1
2019 1 129 TYR H 1 129 TYR HB3 3.300 . 4.700 2.440 2.143 2.628 . 0 0 "[ . 1 .]" 1
2020 1 129 TYR H 1 129 TYR QD 4.500 . 6.000 4.093 3.143 4.236 . 0 0 "[ . 1 .]" 1
2021 1 129 TYR H 1 130 GLN H 3.000 . 4.100 2.663 2.267 3.123 . 0 0 "[ . 1 .]" 1
2022 1 129 TYR H 1 130 GLN HB3 4.600 . 6.000 5.262 4.794 5.717 . 0 0 "[ . 1 .]" 1
2023 1 129 TYR H 1 130 GLN QG 3.900 . 5.800 3.802 3.514 4.323 . 0 0 "[ . 1 .]" 1
2024 1 129 TYR H 1 132 GLU QB 5.600 . 6.000 4.483 4.251 4.714 . 0 0 "[ . 1 .]" 1
2025 1 129 TYR HA 1 129 TYR QD 3.600 . 5.200 2.990 2.509 3.676 . 0 0 "[ . 1 .]" 1
2026 1 129 TYR HA 1 130 GLN H 3.400 . 4.800 3.545 3.448 3.592 . 0 0 "[ . 1 .]" 1
2027 1 129 TYR HA 1 132 GLU QG 5.700 . 6.000 4.139 3.443 4.924 . 0 0 "[ . 1 .]" 1
2028 1 130 GLN H 1 130 GLN HA 2.900 . 4.000 2.861 2.820 2.924 . 0 0 "[ . 1 .]" 1
2029 1 130 GLN H 1 130 GLN QG 3.300 . 4.100 1.977 1.860 2.145 0.140 13 0 "[ . 1 .]" 1
2030 1 130 GLN H 1 131 GLN QB 3.600 . 5.200 4.284 4.034 4.871 . 0 0 "[ . 1 .]" 1
2031 1 130 GLN H 1 132 GLU H 3.900 . 5.800 4.001 3.738 4.301 . 0 0 "[ . 1 .]" 1
2032 1 130 GLN HA 1 130 GLN QG 3.700 . 5.200 3.342 3.321 3.424 . 0 0 "[ . 1 .]" 1
2033 1 130 GLN HA 1 131 GLN H 3.400 . 4.800 3.488 3.363 3.559 . 0 0 "[ . 1 .]" 1
2034 1 130 GLN HA 1 131 GLN HA 3.900 . 5.800 4.709 4.578 4.813 . 0 0 "[ . 1 .]" 1
2035 1 130 GLN HA 1 131 GLN QB 3.600 . 6.000 5.191 5.087 5.550 . 0 0 "[ . 1 .]" 1
2036 1 130 GLN HA 1 132 GLU QB 4.300 . 6.000 5.099 4.829 5.376 . 0 0 "[ . 1 .]" 1
2037 1 130 GLN HA 1 133 SER HB2 3.500 . 5.000 2.627 2.164 3.791 . 0 0 "[ . 1 .]" 1
2038 1 130 GLN HB2 1 130 GLN QG . . 3.400 2.337 2.288 2.470 . 0 0 "[ . 1 .]" 1
2039 1 130 GLN HB3 1 130 GLN QG 3.000 . 4.100 2.332 2.143 2.379 . 0 0 "[ . 1 .]" 1
2040 1 130 GLN QG 1 131 GLN HA 3.700 . 5.400 3.617 3.429 4.156 . 0 0 "[ . 1 .]" 1
2041 1 130 GLN QG 1 131 GLN QB 3.600 . 5.200 3.228 3.001 4.019 . 0 0 "[ . 1 .]" 1
2042 1 130 GLN QG 1 133 SER HB2 5.100 . 6.000 5.417 4.993 6.505 0.505 12 1 "[ . 1 + .]" 1
2043 1 131 GLN H 1 131 GLN HA 2.800 . 3.800 2.855 2.803 2.915 . 0 0 "[ . 1 .]" 1
2044 1 131 GLN H 1 131 GLN QB 2.200 . 2.800 2.292 2.215 2.660 . 0 0 "[ . 1 .]" 1
2045 1 131 GLN H 1 131 GLN QG 3.800 . 5.600 3.850 2.123 4.028 . 0 0 "[ . 1 .]" 1
2046 1 131 GLN H 1 132 GLU H 2.700 . 3.600 2.520 2.231 2.726 . 0 0 "[ . 1 .]" 1
2047 1 131 GLN H 1 132 GLU QB 4.200 . 6.000 4.248 3.932 4.476 . 0 0 "[ . 1 .]" 1
2048 1 131 GLN H 1 134 GLN QG 3.700 . 5.400 4.951 4.831 5.156 . 0 0 "[ . 1 .]" 1
2049 1 131 GLN HA 1 131 GLN QB 2.600 . 3.400 2.347 2.285 2.425 . 0 0 "[ . 1 .]" 1
2050 1 131 GLN HA 1 131 GLN QG 2.900 . 3.900 2.486 2.286 3.065 . 0 0 "[ . 1 .]" 1
2051 1 131 GLN HA 1 132 GLU H 3.200 . 4.500 3.529 3.468 3.561 . 0 0 "[ . 1 .]" 1
2052 1 131 GLN HA 1 134 GLN HB3 2.900 . 3.900 3.420 1.750 3.993 0.150 8 0 "[ . 1 .]" 1
2053 1 131 GLN HA 1 135 ALA H 3.300 . 4.700 4.149 3.946 4.345 . 0 0 "[ . 1 .]" 1
2054 1 131 GLN QB 1 132 GLU H 2.300 . 3.000 2.649 2.305 2.970 . 0 0 "[ . 1 .]" 1
2055 1 131 GLN QB 1 132 GLU QG 2.400 . 6.000 4.685 3.304 5.398 . 0 0 "[ . 1 .]" 1
2056 1 131 GLN QG 1 132 GLU HA 3.700 . 6.000 3.943 3.147 5.596 . 0 0 "[ . 1 .]" 1
2057 1 131 GLN QG 1 132 GLU QG 2.100 . 6.000 4.941 3.636 5.550 . 0 0 "[ . 1 .]" 1
2058 1 131 GLN QG 1 134 GLN H 3.500 . 5.100 4.684 4.341 5.412 0.312 14 0 "[ . 1 .]" 1
2059 1 132 GLU H 1 132 GLU HA 2.900 . 3.900 2.843 2.804 2.907 . 0 0 "[ . 1 .]" 1
2060 1 132 GLU H 1 132 GLU QG 3.800 . 5.000 3.476 2.540 3.976 . 0 0 "[ . 1 .]" 1
2061 1 132 GLU H 1 133 SER H 2.500 . 3.300 2.508 2.347 2.676 . 0 0 "[ . 1 .]" 1
2062 1 132 GLU H 1 134 GLN H 5.800 . 6.000 3.943 3.202 4.143 . 0 0 "[ . 1 .]" 1
2063 1 132 GLU H 1 134 GLN HB3 3.100 . 6.000 5.741 4.005 6.079 0.079 12 0 "[ . 1 .]" 1
2064 1 132 GLU H 1 134 GLN QG 3.300 . 6.000 4.854 4.659 5.704 . 0 0 "[ . 1 .]" 1
2065 1 132 GLU HA 1 132 GLU QB 2.500 . 3.100 2.510 2.429 2.546 . 0 0 "[ . 1 .]" 1
2066 1 132 GLU HA 1 132 GLU QG 2.800 . 3.800 2.726 2.502 2.974 . 0 0 "[ . 1 .]" 1
2067 1 132 GLU HA 1 135 ALA MB 2.300 . 3.000 1.977 1.812 2.242 . 0 0 "[ . 1 .]" 1
2068 1 132 GLU QG 1 135 ALA MB 4.000 . 6.000 3.562 2.932 3.923 . 0 0 "[ . 1 .]" 1
2069 1 133 SER H 1 133 SER HA 2.700 . 3.600 2.785 2.743 2.848 . 0 0 "[ . 1 .]" 1
2070 1 133 SER H 1 133 SER HB2 2.900 . 3.900 2.467 2.268 3.528 . 0 0 "[ . 1 .]" 1
2071 1 133 SER H 1 133 SER HB3 3.200 . 4.500 2.993 2.362 3.576 . 0 0 "[ . 1 .]" 1
2072 1 133 SER H 1 134 GLN H 2.700 . 3.600 2.693 2.457 2.816 . 0 0 "[ . 1 .]" 1
2073 1 133 SER H 1 134 GLN HB3 3.800 . 5.600 4.855 4.456 5.002 . 0 0 "[ . 1 .]" 1
2074 1 133 SER H 1 135 ALA H 3.700 . 5.400 3.723 3.598 4.023 . 0 0 "[ . 1 .]" 1
2075 1 133 SER HA 1 133 SER HB2 2.700 . 3.600 2.719 2.395 3.024 . 0 0 "[ . 1 .]" 1
2076 1 133 SER HA 1 133 SER HB3 2.900 . 3.900 2.793 2.505 3.029 . 0 0 "[ . 1 .]" 1
2077 1 133 SER HA 1 134 GLN H 3.400 . 4.800 3.517 3.368 3.553 . 0 0 "[ . 1 .]" 1
2078 1 133 SER HA 1 136 ALA MB 3.300 . 4.700 3.211 2.456 3.666 . 0 0 "[ . 1 .]" 1
2079 1 133 SER HB2 1 134 GLN H 4.000 . 6.000 3.347 2.570 3.959 . 0 0 "[ . 1 .]" 1
2080 1 133 SER HB2 1 136 ALA MB 2.400 . 6.000 5.260 4.525 5.646 . 0 0 "[ . 1 .]" 1
2081 1 133 SER HB3 1 134 GLN H 3.200 . 4.500 3.103 2.428 3.752 . 0 0 "[ . 1 .]" 1
2082 1 133 SER HB3 1 134 GLN HA 3.800 . 5.600 4.442 4.179 5.631 0.031 12 0 "[ . 1 .]" 1
2083 1 133 SER HB3 1 134 GLN QG 4.600 . 6.000 5.329 4.783 5.820 . 0 0 "[ . 1 .]" 1
2084 1 134 GLN HA 1 134 GLN HB3 2.500 . 3.300 2.703 2.651 3.025 . 0 0 "[ . 1 .]" 1
2085 1 134 GLN HA 1 134 GLN QG 3.400 . 4.100 3.171 2.561 3.236 . 0 0 "[ . 1 .]" 1
2086 1 134 GLN HA 1 135 ALA H 2.400 . 6.000 3.392 3.330 3.524 . 0 0 "[ . 1 .]" 1
2087 1 134 GLN HA 1 137 TYR QB 3.500 . 5.100 2.148 1.853 2.416 0.047 4 0 "[ . 1 .]" 1
2088 1 134 GLN HA 1 137 TYR QD 4.000 . 6.000 2.666 1.955 4.331 0.045 10 0 "[ . 1 .]" 1
2089 1 134 GLN HA 1 138 GLN QB 3.200 . 6.000 5.945 5.711 6.060 0.060 14 0 "[ . 1 .]" 1
2090 1 134 GLN HB3 1 135 ALA H 2.700 . 6.000 3.858 2.577 4.015 . 0 0 "[ . 1 .]" 1
2091 1 134 GLN HB3 1 135 ALA MB 3.700 . 5.500 5.330 4.048 5.463 . 0 0 "[ . 1 .]" 1
2092 1 134 GLN HB3 1 136 ALA H 4.800 . 6.000 5.489 4.795 5.674 . 0 0 "[ . 1 .]" 1
2093 1 134 GLN HB3 1 136 ALA MB 4.100 . 6.000 5.874 5.677 6.053 0.053 7 0 "[ . 1 .]" 1
2094 1 134 GLN HB3 1 137 TYR QB 4.000 . 6.000 4.010 3.825 4.500 . 0 0 "[ . 1 .]" 1
2095 1 134 GLN HE21 1 137 TYR QB 5.100 . 6.000 4.395 3.652 5.269 . 0 0 "[ . 1 .]" 1
2096 1 134 GLN QG 1 135 ALA H 3.800 . 5.600 2.916 2.613 4.229 . 0 0 "[ . 1 .]" 1
2097 1 134 GLN QG 1 135 ALA HA 3.400 . 4.800 3.461 3.211 4.885 0.085 8 0 "[ . 1 .]" 1
2098 1 134 GLN QG 1 135 ALA MB 4.100 . 6.000 3.755 3.556 5.105 . 0 0 "[ . 1 .]" 1
2099 1 134 GLN QG 1 137 TYR HA 4.200 . 6.000 5.926 5.828 5.955 . 0 0 "[ . 1 .]" 1
2100 1 134 GLN QG 1 137 TYR QB 3.400 . 4.800 3.304 3.037 3.505 . 0 0 "[ . 1 .]" 1
2101 1 135 ALA H 1 135 ALA MB 2.200 . 2.800 2.258 2.246 2.275 . 0 0 "[ . 1 .]" 1
2102 1 135 ALA H 1 136 ALA H 2.300 . 3.000 2.447 2.376 2.527 . 0 0 "[ . 1 .]" 1
2103 1 135 ALA H 1 136 ALA HA 4.300 . 6.000 5.115 5.060 5.171 . 0 0 "[ . 1 .]" 1
2104 1 135 ALA H 1 137 TYR H 3.000 . 4.100 3.560 3.398 3.818 . 0 0 "[ . 1 .]" 1
2105 1 135 ALA H 1 138 GLN H 4.800 . 6.000 4.558 4.460 4.650 . 0 0 "[ . 1 .]" 1
2106 1 135 ALA H 1 139 ARG H 4.900 . 6.000 5.865 5.702 6.002 0.002 6 0 "[ . 1 .]" 1
2107 1 135 ALA HA 1 135 ALA MB 2.100 . 2.700 2.134 2.130 2.137 . 0 0 "[ . 1 .]" 1
2108 1 135 ALA HA 1 136 ALA H 3.200 . 4.500 3.491 3.469 3.515 . 0 0 "[ . 1 .]" 1
2109 1 135 ALA HA 1 138 GLN H 3.000 . 4.100 2.910 2.655 3.064 . 0 0 "[ . 1 .]" 1
2110 1 135 ALA HA 1 138 GLN QB 2.800 . 3.800 2.568 2.242 3.650 . 0 0 "[ . 1 .]" 1
2111 1 135 ALA HA 1 138 GLN HG2 3.900 . 5.800 3.247 1.708 4.495 0.292 3 0 "[ . 1 .]" 1
2112 1 135 ALA HA 1 139 ARG HG3 4.100 . 6.000 5.972 4.973 6.101 0.101 8 0 "[ . 1 .]" 1
2113 1 135 ALA MB 1 138 GLN HA 3.900 . 6.000 5.966 5.784 6.094 0.094 4 0 "[ . 1 .]" 1
2114 1 135 ALA MB 1 138 GLN HG2 4.400 . 6.000 4.721 3.397 5.718 . 0 0 "[ . 1 .]" 1
2115 1 136 ALA H 1 136 ALA HA 2.500 . 3.300 2.836 2.791 2.869 . 0 0 "[ . 1 .]" 1
2116 1 136 ALA H 1 136 ALA MB 2.200 . 2.800 2.234 2.214 2.252 . 0 0 "[ . 1 .]" 1
2117 1 136 ALA H 1 139 ARG H 2.700 . 6.000 4.720 4.535 4.821 . 0 0 "[ . 1 .]" 1
2118 1 136 ALA HA 1 136 ALA MB 2.100 . 2.700 2.133 2.126 2.144 . 0 0 "[ . 1 .]" 1
2119 1 136 ALA HA 1 137 TYR QB 5.100 . 6.000 5.270 5.039 5.444 . 0 0 "[ . 1 .]" 1
2120 1 136 ALA HA 1 137 TYR QD 4.700 . 6.000 5.621 4.862 6.244 0.244 8 0 "[ . 1 .]" 1
2121 1 136 ALA HA 1 139 ARG H 2.600 . 3.500 3.410 2.978 3.593 0.093 7 0 "[ . 1 .]" 1
2122 1 136 ALA HA 1 139 ARG HB3 4.200 . 6.000 4.890 4.329 5.713 . 0 0 "[ . 1 .]" 1
2123 1 136 ALA HA 1 139 ARG HG2 3.100 . 4.300 2.553 1.940 4.067 . 0 0 "[ . 1 .]" 1
2124 1 136 ALA HA 1 139 ARG HG3 2.800 . 3.800 2.932 2.327 3.806 0.006 7 0 "[ . 1 .]" 1
2125 1 136 ALA HA 1 140 ALA MB 2.200 . 2.800 2.826 2.155 2.970 0.170 15 0 "[ . 1 .]" 1
2126 1 136 ALA MB 1 137 TYR HA 2.900 . 4.000 4.018 3.879 4.129 0.129 7 0 "[ . 1 .]" 1
2127 1 136 ALA MB 1 139 ARG QD 3.900 . 5.800 4.479 3.597 5.265 . 0 0 "[ . 1 .]" 1
2128 1 136 ALA MB 1 139 ARG HG3 3.800 . 5.700 4.278 3.677 5.005 . 0 0 "[ . 1 .]" 1
2129 1 136 ALA MB 1 140 ALA HA 3.200 . 6.000 5.156 2.697 5.836 . 0 0 "[ . 1 .]" 1
2130 1 137 TYR H 1 137 TYR HA 2.800 . 3.800 2.866 2.816 2.911 . 0 0 "[ . 1 .]" 1
2131 1 137 TYR H 1 137 TYR QB 2.800 . 3.800 2.324 2.224 2.418 . 0 0 "[ . 1 .]" 1
2132 1 137 TYR HA 1 137 TYR QB 2.500 . 3.300 2.424 2.383 2.466 . 0 0 "[ . 1 .]" 1
2133 1 137 TYR HA 1 137 TYR QD 3.200 . 4.500 2.340 1.840 3.087 0.060 8 0 "[ . 1 .]" 1
2134 1 137 TYR HA 1 138 GLN H 2.800 . 3.800 3.373 3.325 3.514 . 0 0 "[ . 1 .]" 1
2135 1 137 TYR HA 1 140 ALA H 3.600 . 5.200 4.083 3.770 5.193 . 0 0 "[ . 1 .]" 1
2136 1 137 TYR HA 1 140 ALA HA 4.300 . 6.000 5.963 5.587 6.103 0.103 11 0 "[ . 1 .]" 1
2137 1 137 TYR HA 1 140 ALA MB 2.800 . 3.800 3.539 3.049 3.805 0.005 7 0 "[ . 1 .]" 1
2138 1 137 TYR QB 1 138 GLN H 3.000 . 4.200 3.114 2.637 3.314 . 0 0 "[ . 1 .]" 1
2139 1 137 TYR QB 1 138 GLN HA 4.600 . 6.000 4.165 4.031 4.325 . 0 0 "[ . 1 .]" 1
2140 1 137 TYR QB 1 138 GLN HG2 3.500 . 5.000 3.890 3.208 4.541 . 0 0 "[ . 1 .]" 1
2141 1 137 TYR QB 1 140 ALA MB 4.500 . 6.000 5.091 4.710 5.315 . 0 0 "[ . 1 .]" 1
2142 1 137 TYR QD 1 140 ALA MB 2.100 . 6.000 4.675 4.084 5.122 . 0 0 "[ . 1 .]" 1
2143 1 138 GLN H 1 138 GLN HA 2.600 . 3.500 2.917 2.892 2.923 . 0 0 "[ . 1 .]" 1
2144 1 138 GLN H 1 138 GLN QB 2.400 . 3.100 2.466 2.379 2.811 . 0 0 "[ . 1 .]" 1
2145 1 138 GLN H 1 138 GLN HG2 2.900 . 4.000 3.098 2.238 3.928 . 0 0 "[ . 1 .]" 1
2146 1 138 GLN HA 1 138 GLN QB 2.500 . 3.300 2.354 2.158 2.399 . 0 0 "[ . 1 .]" 1
2147 1 138 GLN HA 1 138 GLN HG2 2.700 . 3.600 2.902 2.503 3.806 0.206 3 0 "[ . 1 .]" 1
2148 1 138 GLN HA 1 139 ARG H 3.900 . 5.800 3.560 3.502 3.587 . 0 0 "[ . 1 .]" 1
2149 1 138 GLN HA 1 139 ARG HG2 4.100 . 6.000 5.615 5.381 5.959 . 0 0 "[ . 1 .]" 1
2150 1 138 GLN QB 1 138 GLN HG2 2.100 . 2.600 2.330 2.208 2.408 . 0 0 "[ . 1 .]" 1
2151 1 138 GLN QB 1 139 ARG H 2.700 . 3.600 2.423 2.185 3.604 0.004 3 0 "[ . 1 .]" 1
2152 1 138 GLN HG2 1 139 ARG H 4.400 . 6.000 4.467 3.648 4.993 . 0 0 "[ . 1 .]" 1
2153 1 139 ARG H 1 139 ARG HB2 3.100 . 4.300 3.647 3.605 3.715 . 0 0 "[ . 1 .]" 1
2154 1 139 ARG H 1 139 ARG HB3 2.400 . 3.100 2.738 2.559 2.961 . 0 0 "[ . 1 .]" 1
2155 1 139 ARG H 1 139 ARG QD 6.000 . 6.000 3.989 3.681 4.213 . 0 0 "[ . 1 .]" 1
2156 1 139 ARG H 1 139 ARG HG2 2.900 . 3.900 2.089 1.859 2.407 0.041 14 0 "[ . 1 .]" 1
2157 1 139 ARG H 1 140 ALA H 2.300 . 3.000 2.368 2.198 2.531 . 0 0 "[ . 1 .]" 1
2158 1 139 ARG H 1 140 ALA MB 4.500 . 6.000 4.073 3.799 4.240 . 0 0 "[ . 1 .]" 1
2159 1 139 ARG HA 1 139 ARG HB2 2.500 . 3.300 2.445 2.383 2.498 . 0 0 "[ . 1 .]" 1
2160 1 139 ARG HA 1 139 ARG QD 4.700 . 6.000 4.393 4.186 4.577 . 0 0 "[ . 1 .]" 1
2161 1 139 ARG HA 1 139 ARG HG2 3.300 . 4.700 3.770 3.680 3.909 . 0 0 "[ . 1 .]" 1
2162 1 139 ARG HA 1 140 ALA H 2.700 . 3.600 3.412 3.269 3.526 . 0 0 "[ . 1 .]" 1
2163 1 139 ARG HB2 1 140 ALA H 3.400 . 4.800 4.081 3.623 4.345 . 0 0 "[ . 1 .]" 1
2164 1 139 ARG HB3 1 140 ALA H 3.800 . 5.600 4.180 3.945 4.333 . 0 0 "[ . 1 .]" 1
2165 1 139 ARG QD 1 139 ARG HG2 2.500 . 3.300 2.331 2.167 2.417 . 0 0 "[ . 1 .]" 1
2166 1 139 ARG QD 1 139 ARG HG3 2.500 . 3.300 2.272 2.166 2.483 . 0 0 "[ . 1 .]" 1
2167 1 139 ARG QD 1 140 ALA HA 4.500 . 6.000 5.303 4.759 5.667 . 0 0 "[ . 1 .]" 1
2168 1 139 ARG HE 1 139 ARG HG3 3.400 . 6.000 3.194 2.185 3.874 . 0 0 "[ . 1 .]" 1
2169 1 139 ARG HG2 1 140 ALA H 2.500 . 3.300 3.094 2.847 3.339 0.039 3 0 "[ . 1 .]" 1
2170 1 140 ALA H 1 140 ALA MB 2.100 . 2.600 2.390 2.218 2.740 0.140 9 0 "[ . 1 .]" 1
2171 1 140 ALA HA 1 140 ALA MB 2.200 . 6.000 2.128 2.118 2.134 . 0 0 "[ . 1 .]" 1
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