NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
613854 |
5urn   |
30243 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5urn
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 2661
_Distance_constraint_stats_list.Viol_count 7447
_Distance_constraint_stats_list.Viol_total 66986.633
_Distance_constraint_stats_list.Viol_max 4.222
_Distance_constraint_stats_list.Viol_rms 0.2775
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0629
_Distance_constraint_stats_list.Viol_average_violations_only 0.4498
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 1.169 0.140 2 0 "[ . 1 . 2]"
1 3 HIS 105.624 3.518 10 20 [*********+*******-**]
1 4 SER 11.365 0.448 7 0 "[ . 1 . 2]"
1 5 GLY 5.888 0.441 14 0 "[ . 1 . 2]"
1 6 ALA 97.569 2.236 13 20 [****-*******+*******]
1 7 ALA 44.858 1.703 3 20 [**+******-**********]
1 8 ILE 13.262 0.609 10 3 "[ - + . * 2]"
1 9 PHE 21.351 0.714 11 6 "[ **.* * 1+- . 2]"
1 10 GLU 5.299 0.386 11 0 "[ . 1 . 2]"
1 11 LYS 14.031 0.697 4 8 "[***+. 1 ** - * 2]"
1 12 VAL 5.509 0.641 3 1 "[ + . 1 . 2]"
1 13 SER 48.738 2.568 19 11 "[*- ** 1** ****+2]"
1 14 GLY 7.490 0.797 16 11 "[** ** 1*- *+***2]"
1 15 ILE 165.951 2.236 13 20 [************+****-**]
1 16 ILE 41.571 0.992 7 5 "[ - *. +* 1 .* 2]"
1 17 ALA 4.865 0.340 7 0 "[ . 1 . 2]"
1 18 ILE 51.192 2.253 19 16 "[ ***.* ******** *-+*]"
1 19 ASN 67.952 3.518 10 20 [*********+*****-****]
1 20 GLU 27.969 1.406 19 14 "[ **-.* ******* *+*]"
1 21 ASP 13.535 0.398 8 0 "[ . 1 . 2]"
1 22 VAL 27.974 0.700 7 9 "[ * *.*+ 1* * .- * *]"
1 23 SER 6.927 0.203 13 0 "[ . 1 . 2]"
1 24 PRO 6.489 0.593 17 1 "[ . 1 . + 2]"
1 25 ALA 11.079 1.199 4 4 "[ +.* - 1 . * 2]"
1 26 GLU 15.186 0.966 8 10 "[ * *.**+ 1* * .- * *]"
1 27 LEU 106.430 3.548 1 20 [+*****************-*]
1 28 THR 30.237 0.975 8 15 "[****.**+-** *** **]"
1 29 TRP 13.347 0.728 3 1 "[ + . 1 . 2]"
1 30 ARG 10.729 0.729 16 6 "[ * .* 1 -* .+ * 2]"
1 31 SER 19.601 0.861 14 6 "[ . **** +- 2]"
1 32 THR 70.313 2.568 19 11 "[** ** 1** ***-+2]"
1 33 ASP 0.055 0.017 11 0 "[ . 1 . 2]"
1 34 GLY 13.086 0.861 14 6 "[ . ***- +* 2]"
1 35 ASP 4.358 0.202 3 0 "[ . 1 . 2]"
1 36 LYS 38.058 1.081 6 20 [*****+**-***********]
1 37 VAL 23.805 1.081 6 20 [*****+**-***********]
1 38 HIS 143.566 3.548 1 20 [+**********-********]
1 39 THR 30.093 0.975 8 20 [*******+-***********]
1 40 VAL 88.394 3.516 1 20 [+*****************-*]
1 41 VAL 16.696 0.966 8 4 "[ - +*1 * 2]"
1 42 LEU 49.538 1.199 4 16 "[***+** *** *** *-**]"
1 43 SER 10.026 0.593 17 1 "[ . 1 . + 2]"
1 44 THR 29.042 1.119 5 10 "[** + ***1 * * -*]"
1 45 ILE 74.713 1.576 5 20 [****+-**************]
1 46 ASP 107.171 3.360 16 19 "[***** *****-***+****]"
1 47 LYS 62.422 2.151 6 19 "[* ***+****-*********]"
1 48 LEU 90.782 2.316 14 20 [*************+****-*]
1 49 GLN 41.445 2.151 6 20 [*****+*-************]
1 50 ALA 45.620 1.781 5 19 "[-***+************ **]"
1 51 THR 128.231 2.645 17 19 "[-************ **+***]"
1 52 PRO 51.506 1.900 17 17 "[******** ** * **+**-]"
1 53 ALA 2.859 0.597 8 1 "[ . + 1 . 2]"
1 54 SER 5.016 0.385 3 0 "[ . 1 . 2]"
1 55 SER 29.341 1.855 5 5 "[* + 1- . **]"
1 56 GLU 20.907 2.230 17 13 "[ ****** 1**- **+* 2]"
1 57 LYS 103.494 3.069 11 17 "[******** 1+-* ******]"
1 58 MET 256.898 3.318 8 20 [*******+************]
1 59 MET 404.568 3.395 10 20 [*********+***-******]
1 60 LEU 59.360 1.219 3 20 [**+**********-******]
1 61 ARG 97.230 3.173 18 20 [*****************+**]
1 62 LEU 46.811 1.576 5 20 [****+************-**]
1 63 ILE 118.429 1.986 4 20 [***+**************-*]
1 64 GLY 5.107 0.894 11 3 "[ * . 1+ . - 2]"
1 65 LYS 130.817 2.823 16 19 "[***********-***+ ***]"
1 66 VAL 16.930 2.573 9 7 "[ ** -+1 ** * 2]"
1 67 ASP 2.805 0.251 9 0 "[ . 1 . 2]"
1 68 GLU 65.370 3.037 18 20 [*******-*********+**]
1 69 SER 2.297 0.900 18 1 "[ . 1 . + 2]"
1 70 LYS 113.416 2.288 13 20 [**********-*+*******]
1 71 LYS 48.969 1.503 19 19 "[************ *-***+*]"
1 72 ARG 57.515 1.273 11 20 [**********+*-*******]
1 73 LYS 16.469 4.222 3 1 "[ + . 1 . 2]"
1 74 ASP 3.112 0.701 3 2 "[ + . 1- . 2]"
1 75 ASN 0.980 0.907 11 1 "[ . 1+ . 2]"
1 76 GLU 3.164 0.907 11 2 "[ . 1+- . 2]"
1 77 GLY 0.630 0.429 3 0 "[ . 1 . 2]"
1 78 ASN 0.484 0.431 11 0 "[ . 1 . 2]"
1 79 GLU 40.487 4.222 3 18 "[* +********* ******-]"
1 80 VAL 58.586 1.273 11 20 [**********+*-*******]
1 81 VAL 11.930 0.390 11 0 "[ . 1 . 2]"
1 82 PRO 72.784 2.288 13 20 [***********-+*******]
1 83 LYS 54.907 3.037 18 20 [********-********+**]
1 84 PRO 20.507 1.144 2 4 "[ + .- 1* . * 2]"
1 85 GLN 15.453 1.144 2 4 "[ + .* 1* . - 2]"
1 86 ARG 35.352 1.986 4 19 [***+*****1*-********]
1 87 HIS 32.998 0.914 7 18 "[-* **+*************]"
1 88 MET 215.600 3.446 11 20 [**********+**-******]
1 89 PHE 66.365 2.316 14 20 [**-**********+******]
1 90 SER 27.523 2.151 12 8 "[** * *1*+ . *-]"
1 91 PHE 85.268 3.118 17 19 "[************ -**+***]"
1 92 ASN 17.109 0.704 17 7 "[ -* ** .*+* 2]"
1 93 ASN 42.275 2.144 17 16 "[***-* * *1** ***+***]"
1 94 ARG 83.100 3.318 8 19 "[***** *+****-*******]"
1 95 THR 75.067 1.463 12 20 [*******-***+********]
1 96 VAL 54.128 2.560 11 18 "[*******-*1+* *******]"
1 97 MET 59.559 3.118 17 10 "[ * * - 1* * **+ **]"
1 98 ASP 46.008 2.034 3 20 [**+****-************]
1 99 ASN 56.860 1.463 12 20 [********-**+********]
1 100 ILE 15.170 0.596 2 1 "[ + . 1 . 2]"
1 101 LYS 54.208 2.034 3 20 [-*+*****************]
1 102 MET 34.311 1.460 16 16 "[** -*****1*** *+ ***]"
1 103 THR 7.773 0.370 5 0 "[ . 1 . 2]"
1 104 LEU 34.295 0.987 20 7 "[ ** ** 1- *. +]"
1 105 GLN 23.512 1.691 20 9 "[* * * *1 **- *+]"
1 106 GLN 19.276 1.460 16 11 "[ * -**** 1 * .+ ***]"
1 107 ILE 42.887 1.345 5 13 "[ *+****1-** *** *]"
1 108 ILE 58.342 2.263 8 19 "[****- *+************]"
1 109 SER 16.262 1.081 8 10 "[*-**. *+ ** . **2]"
1 110 ARG 32.978 1.345 5 10 "[ +* **1 ** *** *]"
1 111 TYR 30.183 1.809 20 16 "[*** *****1*****- *+]"
1 112 LYS 106.556 3.360 16 18 "[*-**. *********+****]"
1 113 ASP 9.062 0.237 18 0 "[ . 1 . 2]"
1 114 ALA 6.126 0.220 20 0 "[ . 1 . 2]"
1 115 ASP 4.816 0.885 20 1 "[ . 1 . +]"
2 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 TYR 2.414 0.456 14 0 "[ . 1 . 2]"
2 6 PRO 7.911 0.456 14 0 "[ . 1 . 2]"
2 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLY 0.242 0.042 7 0 "[ . 1 . 2]"
2 9 LEU 51.723 2.312 1 20 [+****-**************]
2 10 LEU 45.610 2.312 1 20 [+*****************-*]
2 11 SER 5.990 0.948 7 3 "[ .-+* 1 . 2]"
2 12 GLY 0.672 0.178 1 0 "[ . 1 . 2]"
2 13 ASP 11.756 2.368 15 3 "[ . - 1 * + 2]"
2 14 GLU 27.618 0.423 10 0 "[ . 1 . 2]"
2 15 ASP 11.069 0.410 16 0 "[ . 1 . 2]"
2 16 PHE 13.539 2.368 15 12 "[ *****- ** + * **]"
2 17 SER 9.272 1.009 20 3 "[ . 1*- . +]"
2 18 SER 3.961 0.579 3 1 "[ + . 1 . 2]"
2 19 ILE 192.036 3.123 19 19 "[*************-* **+*]"
2 20 ALA 49.096 1.445 20 16 "[*-********* *. ***+]"
2 21 ASP 33.310 2.764 7 10 "[ - . + * **** ***]"
2 22 MET 127.758 3.123 19 19 "[*************-* **+*]"
2 23 ASP 27.814 2.298 2 15 "[ +**.*** 1* ******-*]"
2 24 PHE 122.240 3.446 11 20 [**********+-********]
2 25 SER 12.350 1.749 6 6 "[ .+ *1 * -.* *]"
2 26 ALA 0.307 0.155 7 0 "[ . 1 . 2]"
2 27 LEU 52.315 2.220 2 15 "[*+****** 1* * -*** *]"
2 28 LEU 87.474 1.749 6 20 [****-+**************]
2 29 SER 9.740 0.977 10 2 "[ - + . 2]"
2 30 GLN 0.687 0.108 16 0 "[ . 1 . 2]"
2 31 ILE 3.808 0.369 4 0 "[ . 1 . 2]"
2 32 SER 0.310 0.070 4 0 "[ . 1 . 2]"
2 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 SER H 2.913 . 3.974 2.577 2.136 3.558 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 4 SER H 3.434 . 4.908 4.815 4.254 5.048 0.140 2 0 "[ . 1 . 2]" 1
3 1 3 HIS HA 1 3 HIS HB2 2.578 . 3.409 3.010 2.997 3.019 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS HA 1 3 HIS HB3 2.470 . 3.232 2.508 2.474 2.533 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS HA 1 3 HIS HD2 3.246 . 4.563 2.724 2.333 4.261 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 4 SER H 2.613 . 3.466 3.393 3.274 3.557 0.091 10 0 "[ . 1 . 2]" 1
7 1 3 HIS HA 1 18 ILE HB 2.707 . 3.623 2.943 2.196 3.311 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 18 ILE MD 2.380 . 3.088 2.019 1.859 2.314 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS HA 1 18 ILE QG 3.054 . 4.220 3.300 2.480 3.939 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS HA 1 18 ILE MG 3.033 . 4.183 4.036 3.451 4.297 0.114 6 0 "[ . 1 . 2]" 1
11 1 3 HIS HA 1 100 ILE MD 2.924 . 3.993 3.083 2.764 3.244 . 0 0 "[ . 1 . 2]" 1
12 1 3 HIS HA 1 103 THR MG 3.057 . 4.225 3.292 2.929 3.504 . 0 0 "[ . 1 . 2]" 1
13 1 3 HIS HB2 1 3 HIS HD2 3.045 . 4.204 3.686 2.785 3.930 . 0 0 "[ . 1 . 2]" 1
14 1 3 HIS HB2 1 4 SER H 3.414 . 4.871 3.227 2.577 3.559 . 0 0 "[ . 1 . 2]" 1
15 1 3 HIS HB2 1 18 ILE HB 3.150 . 4.390 3.633 3.529 3.750 . 0 0 "[ . 1 . 2]" 1
16 1 3 HIS HB2 1 18 ILE MD 3.007 . 4.137 4.306 4.131 4.476 0.339 10 0 "[ . 1 . 2]" 1
17 1 3 HIS HB2 1 18 ILE MG 3.328 . 4.712 4.821 4.668 4.946 0.234 6 0 "[ . 1 . 2]" 1
18 1 3 HIS HB3 1 3 HIS HD2 2.982 . 4.094 3.551 2.851 3.959 . 0 0 "[ . 1 . 2]" 1
19 1 3 HIS HB3 1 4 SER H 3.603 . 5.225 4.023 3.521 4.248 . 0 0 "[ . 1 . 2]" 1
20 1 3 HIS HB3 1 18 ILE H 3.368 . 4.786 2.567 2.323 2.700 . 0 0 "[ . 1 . 2]" 1
21 1 3 HIS HB3 1 18 ILE HB 3.034 . 4.184 1.933 1.794 2.165 0.090 12 0 "[ . 1 . 2]" 1
22 1 3 HIS HB3 1 18 ILE MD 2.648 . 3.525 3.228 2.994 3.780 0.255 10 0 "[ . 1 . 2]" 1
23 1 3 HIS HB3 1 18 ILE QG 3.319 . 4.696 3.583 3.396 3.785 . 0 0 "[ . 1 . 2]" 1
24 1 3 HIS HB3 1 18 ILE MG 3.151 . 4.392 3.487 3.314 3.636 . 0 0 "[ . 1 . 2]" 1
25 1 3 HIS HD2 1 18 ILE HB 2.865 . 3.891 3.979 2.387 5.245 1.354 19 4 "[ . * . -+*]" 1
26 1 3 HIS HD2 1 18 ILE MD 3.321 . 4.699 3.169 2.449 5.130 0.431 19 0 "[ . 1 . 2]" 1
27 1 3 HIS HD2 1 18 ILE MG 2.540 . 3.346 4.101 2.175 5.599 2.253 19 16 "[ ***.* ******** -*+*]" 1
28 1 3 HIS HD2 1 19 ASN HA 3.698 . 5.407 8.261 6.132 8.925 3.518 10 20 [-********+**********] 1
29 1 3 HIS HD2 1 20 GLU QG 3.672 . 4.808 5.358 3.293 6.214 1.406 19 14 "[ **-.* ******* *+*]" 1
30 1 3 HIS HD2 1 103 THR MG 3.127 . 4.349 2.426 1.535 4.481 0.370 5 0 "[ . 1 . 2]" 1
31 1 3 HIS HE1 1 103 THR MG 3.326 . 4.708 3.970 2.268 4.407 . 0 0 "[ . 1 . 2]" 1
32 1 4 SER H 1 4 SER HA 2.803 . 3.785 2.921 2.908 2.937 . 0 0 "[ . 1 . 2]" 1
33 1 4 SER H 1 4 SER HB2 2.700 . 3.611 3.657 3.217 3.980 0.369 15 0 "[ . 1 . 2]" 1
34 1 4 SER H 1 5 GLY H 3.357 . 4.766 4.371 4.329 4.406 . 0 0 "[ . 1 . 2]" 1
35 1 4 SER H 1 16 ILE MG 3.389 . 4.824 4.950 4.776 5.091 0.267 16 0 "[ . 1 . 2]" 1
36 1 4 SER H 1 17 ALA HA 3.549 . 5.124 4.587 4.429 4.762 . 0 0 "[ . 1 . 2]" 1
37 1 4 SER H 1 100 ILE MD 3.027 . 4.172 3.250 3.081 3.531 . 0 0 "[ . 1 . 2]" 1
38 1 4 SER HA 1 4 SER HB2 2.143 . 2.717 2.425 2.386 2.456 . 0 0 "[ . 1 . 2]" 1
39 1 4 SER HA 1 5 GLY H 2.282 . 2.933 2.216 2.146 2.313 . 0 0 "[ . 1 . 2]" 1
40 1 4 SER HA 1 15 ILE MG 2.654 . 5.000 4.272 4.102 4.506 . 0 0 "[ . 1 . 2]" 1
41 1 4 SER HA 1 16 ILE MG 2.757 . 3.707 2.754 2.634 2.978 . 0 0 "[ . 1 . 2]" 1
42 1 4 SER HA 1 17 ALA HA 2.328 . 3.005 2.460 2.324 2.557 . 0 0 "[ . 1 . 2]" 1
43 1 4 SER HA 1 17 ALA MB 2.603 . 5.000 3.824 3.690 3.940 . 0 0 "[ . 1 . 2]" 1
44 1 4 SER HA 1 18 ILE H 3.324 . 4.705 3.810 3.544 3.956 . 0 0 "[ . 1 . 2]" 1
45 1 4 SER HA 1 100 ILE MD 2.710 . 3.628 2.667 2.400 2.967 . 0 0 "[ . 1 . 2]" 1
46 1 4 SER HB2 1 15 ILE MG 2.152 . 5.000 3.603 2.904 4.429 . 0 0 "[ . 1 . 2]" 1
47 1 4 SER HB2 1 16 ILE MG 3.174 . 4.433 4.448 4.197 4.881 0.448 7 0 "[ . 1 . 2]" 1
48 1 4 SER HB2 1 17 ALA HA 2.558 . 3.376 2.806 2.304 3.207 . 0 0 "[ . 1 . 2]" 1
49 1 4 SER HB2 1 17 ALA MB 2.333 . 3.013 2.981 2.645 3.320 0.307 17 0 "[ . 1 . 2]" 1
50 1 4 SER HB2 1 18 ILE H 3.432 . 4.904 4.249 3.372 4.971 0.067 4 0 "[ . 1 . 2]" 1
51 1 4 SER HB2 1 100 ILE MD 2.862 . 5.000 4.574 4.330 4.824 . 0 0 "[ . 1 . 2]" 1
52 1 4 SER HB3 1 5 GLY H 2.583 . 5.000 3.992 3.863 4.054 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLY H 1 5 GLY HA2 2.789 . 3.761 2.899 2.858 2.916 . 0 0 "[ . 1 . 2]" 1
54 1 5 GLY H 1 5 GLY HA3 2.748 . 3.692 2.676 2.638 2.746 . 0 0 "[ . 1 . 2]" 1
55 1 5 GLY H 1 6 ALA H 3.138 . 4.369 3.692 3.596 3.997 . 0 0 "[ . 1 . 2]" 1
56 1 5 GLY H 1 16 ILE H 2.893 . 3.939 3.076 2.996 3.132 . 0 0 "[ . 1 . 2]" 1
57 1 5 GLY H 1 16 ILE HB 3.101 . 4.303 4.168 3.863 4.678 0.375 7 0 "[ . 1 . 2]" 1
58 1 5 GLY H 1 16 ILE MG 2.506 . 3.291 2.559 2.156 2.931 . 0 0 "[ . 1 . 2]" 1
59 1 5 GLY H 1 17 ALA HA 3.692 . 5.396 4.083 3.891 4.150 . 0 0 "[ . 1 . 2]" 1
60 1 5 GLY H 1 17 ALA MB 3.311 . 4.681 4.684 4.356 4.748 0.067 17 0 "[ . 1 . 2]" 1
61 1 5 GLY H 1 96 VAL QG 3.453 . 4.943 3.945 3.873 4.060 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLY H 1 100 ILE MD 3.262 . 4.592 3.107 2.938 3.248 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLY HA2 1 6 ALA H 2.420 . 5.000 3.269 3.137 3.319 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLY HA2 1 96 VAL QG 2.511 . 3.299 3.174 3.068 3.261 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLY HA2 1 100 ILE MD 2.979 . 4.088 4.272 4.096 4.529 0.441 14 0 "[ . 1 . 2]" 1
66 1 5 GLY HA3 1 6 ALA H 2.323 . 2.998 2.131 2.120 2.165 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLY HA3 1 96 VAL QG 2.787 . 3.518 2.084 2.006 2.139 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLY HA3 1 100 ILE MD 3.151 . 4.392 3.279 3.011 3.605 . 0 0 "[ . 1 . 2]" 1
69 1 6 ALA H 1 6 ALA HA 2.709 . 3.626 2.916 2.903 2.943 . 0 0 "[ . 1 . 2]" 1
70 1 6 ALA H 1 6 ALA MB 2.164 . 5.000 2.686 2.586 2.734 . 0 0 "[ . 1 . 2]" 1
71 1 6 ALA H 1 7 ALA H 3.138 . 4.369 4.194 4.146 4.320 . 0 0 "[ . 1 . 2]" 1
72 1 6 ALA H 1 15 ILE MD 3.174 . 4.433 6.423 6.289 6.669 2.236 13 20 [******-*****+*******] 1
73 1 6 ALA H 1 96 VAL QG 2.762 . 3.715 2.159 2.045 2.266 . 0 0 "[ . 1 . 2]" 1
74 1 6 ALA HA 1 6 ALA MB 2.018 . 2.527 2.124 2.122 2.126 . 0 0 "[ . 1 . 2]" 1
75 1 6 ALA HA 1 7 ALA H 2.133 . 2.702 2.188 2.174 2.200 . 0 0 "[ . 1 . 2]" 1
76 1 6 ALA HA 1 15 ILE HA 2.192 . 2.793 2.086 2.055 2.110 . 0 0 "[ . 1 . 2]" 1
77 1 6 ALA HA 1 15 ILE MD 2.378 . 3.085 4.547 4.460 4.689 1.604 20 20 [****-**************+] 1
78 1 6 ALA HA 1 15 ILE QG 3.319 . 4.398 2.902 2.821 3.031 . 0 0 "[ . 1 . 2]" 1
79 1 6 ALA HA 1 15 ILE MG 2.539 . 3.345 3.226 3.098 3.477 0.132 20 0 "[ . 1 . 2]" 1
80 1 6 ALA MB 1 7 ALA H 2.450 . 3.200 3.082 3.019 3.160 . 0 0 "[ . 1 . 2]" 1
81 1 6 ALA MB 1 7 ALA HA 3.016 . 4.153 4.060 4.029 4.100 . 0 0 "[ . 1 . 2]" 1
82 1 6 ALA MB 1 15 ILE HA 2.542 . 3.350 3.559 3.535 3.582 0.232 17 0 "[ . 1 . 2]" 1
83 1 6 ALA MB 1 15 ILE MD 2.355 . 3.048 4.230 4.132 4.397 1.349 20 20 [****-**************+] 1
84 1 6 ALA MB 1 15 ILE MG 2.452 . 5.000 4.022 3.910 4.269 . 0 0 "[ . 1 . 2]" 1
85 1 6 ALA MB 1 91 PHE HA 3.299 . 4.660 4.687 4.614 4.732 0.072 3 0 "[ . 1 . 2]" 1
86 1 6 ALA MB 1 92 ASN QB 3.481 . 4.996 3.994 3.627 4.216 . 0 0 "[ . 1 . 2]" 1
87 1 6 ALA MB 1 96 VAL QG 2.801 . 3.782 3.425 3.358 3.492 . 0 0 "[ . 1 . 2]" 1
88 1 7 ALA H 1 7 ALA HA 2.751 . 3.697 2.927 2.921 2.932 . 0 0 "[ . 1 . 2]" 1
89 1 7 ALA H 1 7 ALA MB 2.685 . 3.586 2.638 2.604 2.667 . 0 0 "[ . 1 . 2]" 1
90 1 7 ALA H 1 8 ILE H 3.522 . 5.072 4.408 4.391 4.426 . 0 0 "[ . 1 . 2]" 1
91 1 7 ALA H 1 15 ILE H 2.713 . 5.000 4.293 4.211 4.336 . 0 0 "[ . 1 . 2]" 1
92 1 7 ALA H 1 15 ILE HA 2.638 . 3.508 2.329 2.262 2.413 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA H 1 15 ILE MD 2.890 . 3.934 5.572 5.535 5.637 1.703 3 20 [**+******-**********] 1
94 1 7 ALA H 1 16 ILE H 2.949 . 4.036 3.111 3.042 3.196 . 0 0 "[ . 1 . 2]" 1
95 1 7 ALA H 1 16 ILE HB 3.275 . 4.615 3.679 3.577 3.823 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA H 1 29 TRP HE1 3.011 . 4.144 3.861 3.532 4.129 . 0 0 "[ . 1 . 2]" 1
97 1 7 ALA HA 1 7 ALA MB 2.100 . 2.651 2.122 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
98 1 7 ALA HA 1 8 ILE H 2.420 . 3.152 2.279 2.264 2.297 . 0 0 "[ . 1 . 2]" 1
99 1 7 ALA HA 1 16 ILE MD 3.493 . 5.018 4.973 4.335 5.297 0.279 9 0 "[ . 1 . 2]" 1
100 1 7 ALA HA 1 16 ILE MG 3.069 . 5.000 5.099 4.383 5.426 0.426 6 0 "[ . 1 . 2]" 1
101 1 7 ALA HA 1 91 PHE HA 2.617 . 3.473 3.054 2.933 3.100 . 0 0 "[ . 1 . 2]" 1
102 1 7 ALA HA 1 91 PHE QD 3.351 . 4.755 3.963 3.358 4.115 . 0 0 "[ . 1 . 2]" 1
103 1 7 ALA MB 1 8 ILE H 2.637 . 3.507 2.616 2.565 2.685 . 0 0 "[ . 1 . 2]" 1
104 1 7 ALA MB 1 15 ILE HA 3.322 . 4.702 3.948 3.901 3.992 . 0 0 "[ . 1 . 2]" 1
105 1 7 ALA MB 1 16 ILE H 3.455 . 4.947 3.351 3.273 3.385 . 0 0 "[ . 1 . 2]" 1
106 1 7 ALA MB 1 16 ILE HA 2.774 . 3.736 3.766 3.731 3.790 0.054 18 0 "[ . 1 . 2]" 1
107 1 7 ALA MB 1 16 ILE HB 2.370 . 3.072 2.049 1.875 2.174 . 0 0 "[ . 1 . 2]" 1
108 1 7 ALA MB 1 16 ILE MD 2.238 . 2.864 2.561 2.010 2.864 0.000 12 0 "[ . 1 . 2]" 1
109 1 7 ALA MB 1 16 ILE QG 2.352 . 4.133 2.426 1.739 3.607 0.261 6 0 "[ . 1 . 2]" 1
110 1 7 ALA MB 1 16 ILE MG 2.269 . 2.913 2.914 2.392 3.137 0.224 6 0 "[ . 1 . 2]" 1
111 1 7 ALA MB 1 27 LEU QD 3.132 . 5.000 4.393 4.142 4.528 . 0 0 "[ . 1 . 2]" 1
112 1 7 ALA MB 1 29 TRP HD1 2.433 . 3.173 2.094 2.015 2.205 . 0 0 "[ . 1 . 2]" 1
113 1 7 ALA MB 1 29 TRP HE1 2.874 . 3.907 3.237 2.867 3.523 . 0 0 "[ . 1 . 2]" 1
114 1 7 ALA MB 1 89 PHE HA 3.040 . 4.195 4.035 3.916 4.213 0.018 6 0 "[ . 1 . 2]" 1
115 1 7 ALA MB 1 89 PHE HB2 2.905 . 3.960 3.387 3.271 3.546 . 0 0 "[ . 1 . 2]" 1
116 1 7 ALA MB 1 89 PHE HB3 2.522 . 3.317 2.067 1.960 2.234 . 0 0 "[ . 1 . 2]" 1
117 1 7 ALA MB 1 89 PHE QD 2.575 . 3.404 2.696 2.414 2.955 . 0 0 "[ . 1 . 2]" 1
118 1 7 ALA MB 1 90 SER H 3.140 . 4.372 3.869 3.386 4.224 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA MB 1 91 PHE HA 3.034 . 4.185 4.218 4.143 4.247 0.062 17 0 "[ . 1 . 2]" 1
120 1 7 ALA MB 1 91 PHE QD 2.968 . 4.069 3.749 3.499 3.887 . 0 0 "[ . 1 . 2]" 1
121 1 7 ALA MB 1 91 PHE QE 2.567 . 3.391 2.996 2.654 3.141 . 0 0 "[ . 1 . 2]" 1
122 1 7 ALA MB 1 91 PHE HZ 2.566 . 3.389 3.201 2.982 3.282 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE H 1 8 ILE HB 2.595 . 3.437 2.598 2.561 2.657 . 0 0 "[ . 1 . 2]" 1
124 1 8 ILE H 1 8 ILE MD 3.174 . 4.433 3.893 3.784 3.966 . 0 0 "[ . 1 . 2]" 1
125 1 8 ILE H 1 8 ILE HG13 3.034 . 4.184 2.785 2.620 2.874 . 0 0 "[ . 1 . 2]" 1
126 1 8 ILE H 1 8 ILE MG 3.173 . 4.431 3.857 3.829 3.888 . 0 0 "[ . 1 . 2]" 1
127 1 8 ILE H 1 90 SER H 2.957 . 4.050 2.691 2.241 3.005 . 0 0 "[ . 1 . 2]" 1
128 1 8 ILE H 1 90 SER QB 3.303 . 4.667 3.238 3.015 3.392 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE HA 1 8 ILE HB 2.468 . 3.229 3.036 3.034 3.037 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE HA 1 8 ILE MD 2.380 . 5.000 3.903 3.881 3.930 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE HA 1 8 ILE HG12 2.561 . 3.381 2.642 2.589 2.701 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE HA 1 8 ILE HG13 2.541 . 3.348 2.941 2.862 3.030 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE HA 1 8 ILE MG 2.284 . 2.936 2.474 2.432 2.504 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE HA 1 9 PHE H 2.358 . 3.053 2.211 2.185 2.230 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE HA 1 12 VAL H 3.611 . 5.241 5.267 5.205 5.292 0.051 6 0 "[ . 1 . 2]" 1
136 1 8 ILE HA 1 13 SER HA 2.348 . 3.037 2.300 2.234 2.375 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE HA 1 13 SER QB 3.116 . 4.330 4.176 4.118 4.244 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE HA 1 14 GLY H 2.743 . 3.683 2.663 2.563 2.746 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE HA 1 29 TRP HD1 3.067 . 5.000 4.742 4.549 5.132 0.132 3 0 "[ . 1 . 2]" 1
140 1 8 ILE HA 1 29 TRP HE1 2.986 . 4.100 2.652 2.530 2.867 . 0 0 "[ . 1 . 2]" 1
141 1 8 ILE HA 1 29 TRP HZ2 3.440 . 4.919 3.462 3.094 3.787 . 0 0 "[ . 1 . 2]" 1
142 1 8 ILE HA 1 90 SER QB 3.670 . 5.275 4.413 4.312 4.786 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE HB 1 8 ILE MD 2.239 . 2.866 2.431 2.402 2.455 . 0 0 "[ . 1 . 2]" 1
144 1 8 ILE HB 1 8 ILE HG12 2.550 . 3.363 3.020 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
145 1 8 ILE HB 1 8 ILE HG13 2.583 . 3.417 2.521 2.499 2.560 . 0 0 "[ . 1 . 2]" 1
146 1 8 ILE HB 1 8 ILE MG 2.102 . 2.654 2.134 2.131 2.135 . 0 0 "[ . 1 . 2]" 1
147 1 8 ILE HB 1 9 PHE H 3.676 . 5.365 4.047 3.985 4.137 . 0 0 "[ . 1 . 2]" 1
148 1 8 ILE HB 1 90 SER H 2.994 . 4.114 2.866 2.737 2.966 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE HB 1 90 SER HA 3.444 . 4.927 4.274 4.206 4.326 . 0 0 "[ . 1 . 2]" 1
150 1 8 ILE HB 1 90 SER QB 2.447 . 3.059 1.608 1.485 1.984 0.213 4 0 "[ . 1 . 2]" 1
151 1 8 ILE MD 1 8 ILE HG12 1.973 . 2.459 2.110 2.106 2.112 . 0 0 "[ . 1 . 2]" 1
152 1 8 ILE MD 1 8 ILE HG13 2.065 . 2.598 2.120 2.118 2.122 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE MD 1 8 ILE MG 1.915 . 2.373 2.010 1.967 2.073 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE MD 1 11 LYS HA 3.224 . 4.524 4.481 4.371 4.622 0.098 3 0 "[ . 1 . 2]" 1
155 1 8 ILE MD 1 13 SER H 3.673 . 5.360 4.761 4.635 4.900 . 0 0 "[ . 1 . 2]" 1
156 1 8 ILE MD 1 13 SER HA 2.419 . 5.000 3.610 3.528 3.681 . 0 0 "[ . 1 . 2]" 1
157 1 8 ILE MD 1 13 SER QB 2.778 . 3.743 2.770 2.594 2.990 . 0 0 "[ . 1 . 2]" 1
158 1 8 ILE MD 1 14 GLY H 3.298 . 4.658 4.658 4.599 4.756 0.098 3 0 "[ . 1 . 2]" 1
159 1 8 ILE MD 1 90 SER QB 2.654 . 3.534 2.646 2.350 3.144 . 0 0 "[ . 1 . 2]" 1
160 1 8 ILE MD 1 91 PHE HA 3.415 . 4.873 4.548 4.254 4.719 . 0 0 "[ . 1 . 2]" 1
161 1 8 ILE MD 1 92 ASN QB 3.269 . 5.000 5.396 4.823 5.609 0.609 10 3 "[ - + . * 2]" 1
162 1 8 ILE HG12 1 8 ILE MG 2.214 . 2.827 2.349 2.312 2.375 . 0 0 "[ . 1 . 2]" 1
163 1 8 ILE HG12 1 9 PHE H 3.375 . 4.799 4.317 4.227 4.423 . 0 0 "[ . 1 . 2]" 1
164 1 8 ILE HG12 1 13 SER HA 2.604 . 3.452 1.958 1.868 2.064 . 0 0 "[ . 1 . 2]" 1
165 1 8 ILE HG12 1 13 SER QB 2.202 . 2.808 2.226 2.102 2.372 . 0 0 "[ . 1 . 2]" 1
166 1 8 ILE HG12 1 14 GLY H 3.186 . 4.455 3.233 3.156 3.320 . 0 0 "[ . 1 . 2]" 1
167 1 8 ILE HG12 1 90 SER QB 3.258 . 4.585 4.316 4.196 4.675 0.090 18 0 "[ . 1 . 2]" 1
168 1 8 ILE HG13 1 8 ILE MG 2.288 . 5.000 3.210 3.203 3.216 . 0 0 "[ . 1 . 2]" 1
169 1 8 ILE HG13 1 9 PHE H 3.281 . 5.000 4.941 4.881 5.006 0.006 12 0 "[ . 1 . 2]" 1
170 1 8 ILE HG13 1 13 SER HA 2.592 . 3.432 3.350 3.213 3.519 0.087 12 0 "[ . 1 . 2]" 1
171 1 8 ILE HG13 1 13 SER QB 2.729 . 3.660 3.713 3.562 3.915 0.255 3 0 "[ . 1 . 2]" 1
172 1 8 ILE HG13 1 14 GLY H 3.118 . 4.333 3.726 3.589 3.877 . 0 0 "[ . 1 . 2]" 1
173 1 8 ILE HG13 1 29 TRP HE1 3.942 . 5.884 4.961 4.826 5.066 . 0 0 "[ . 1 . 2]" 1
174 1 8 ILE HG13 1 90 SER QB 2.950 . 4.038 3.604 3.385 4.027 . 0 0 "[ . 1 . 2]" 1
175 1 8 ILE MG 1 9 PHE H 2.645 . 3.520 2.435 2.368 2.593 . 0 0 "[ . 1 . 2]" 1
176 1 8 ILE MG 1 9 PHE HA 3.113 . 4.324 3.432 3.355 3.552 . 0 0 "[ . 1 . 2]" 1
177 1 8 ILE MG 1 10 GLU H 3.343 . 4.740 3.863 3.736 4.027 . 0 0 "[ . 1 . 2]" 1
178 1 8 ILE MG 1 11 LYS H 2.544 . 3.353 2.693 2.633 2.801 . 0 0 "[ . 1 . 2]" 1
179 1 8 ILE MG 1 11 LYS HA 2.203 . 2.810 2.658 2.542 2.731 . 0 0 "[ . 1 . 2]" 1
180 1 8 ILE MG 1 11 LYS QB 3.236 . 4.545 4.163 4.061 4.232 . 0 0 "[ . 1 . 2]" 1
181 1 8 ILE MG 1 11 LYS QG 2.686 . 5.000 4.166 3.987 4.781 . 0 0 "[ . 1 . 2]" 1
182 1 8 ILE MG 1 12 VAL H 2.560 . 3.379 3.288 3.237 3.353 . 0 0 "[ . 1 . 2]" 1
183 1 8 ILE MG 1 12 VAL HA 3.220 . 4.516 3.862 3.754 4.051 . 0 0 "[ . 1 . 2]" 1
184 1 8 ILE MG 1 12 VAL QG 3.689 . 5.390 4.162 4.060 4.277 . 0 0 "[ . 1 . 2]" 1
185 1 8 ILE MG 1 13 SER H 3.632 . 5.281 3.548 3.404 3.674 . 0 0 "[ . 1 . 2]" 1
186 1 8 ILE MG 1 13 SER HA 2.696 . 3.604 2.451 2.347 2.564 . 0 0 "[ . 1 . 2]" 1
187 1 8 ILE MG 1 13 SER QB 3.284 . 4.632 3.162 3.023 3.291 . 0 0 "[ . 1 . 2]" 1
188 1 8 ILE MG 1 14 GLY H 3.758 . 5.524 4.115 4.004 4.226 . 0 0 "[ . 1 . 2]" 1
189 1 8 ILE MG 1 89 PHE HA 4.049 . 6.098 4.916 4.758 5.057 . 0 0 "[ . 1 . 2]" 1
190 1 8 ILE MG 1 90 SER H 3.387 . 4.821 3.767 3.628 3.948 . 0 0 "[ . 1 . 2]" 1
191 1 8 ILE MG 1 90 SER QB 2.649 . 3.526 2.842 2.710 3.264 . 0 0 "[ . 1 . 2]" 1
192 1 9 PHE H 1 9 PHE HA 2.975 . 4.081 2.922 2.903 2.932 . 0 0 "[ . 1 . 2]" 1
193 1 9 PHE H 1 9 PHE HB2 3.009 . 4.141 3.240 3.172 3.332 . 0 0 "[ . 1 . 2]" 1
194 1 9 PHE H 1 9 PHE HB3 2.942 . 4.024 2.889 2.819 2.987 . 0 0 "[ . 1 . 2]" 1
195 1 9 PHE H 1 11 LYS H 2.929 . 4.001 4.064 4.051 4.118 0.117 4 0 "[ . 1 . 2]" 1
196 1 9 PHE H 1 12 VAL H 2.837 . 3.843 3.653 3.504 3.711 . 0 0 "[ . 1 . 2]" 1
197 1 9 PHE H 1 13 SER HA 3.141 . 4.374 3.514 3.468 3.558 . 0 0 "[ . 1 . 2]" 1
198 1 9 PHE H 1 29 TRP HE1 3.032 . 4.181 3.367 3.076 3.671 . 0 0 "[ . 1 . 2]" 1
199 1 9 PHE H 1 29 TRP HZ2 2.958 . 4.052 3.024 2.772 3.164 . 0 0 "[ . 1 . 2]" 1
200 1 9 PHE HA 1 9 PHE HB2 2.813 . 3.802 2.500 2.470 2.536 . 0 0 "[ . 1 . 2]" 1
201 1 9 PHE HA 1 9 PHE HB3 2.620 . 3.478 3.036 3.032 3.038 . 0 0 "[ . 1 . 2]" 1
202 1 9 PHE HA 1 9 PHE QD 2.496 . 3.275 2.815 2.728 3.159 . 0 0 "[ . 1 . 2]" 1
203 1 9 PHE HA 1 9 PHE QE 3.214 . 4.505 4.631 4.574 4.782 0.277 11 0 "[ . 1 . 2]" 1
204 1 9 PHE HA 1 10 GLU H 2.376 . 3.082 2.123 2.112 2.141 . 0 0 "[ . 1 . 2]" 1
205 1 9 PHE HA 1 89 PHE HA 3.042 . 4.199 3.323 3.152 3.627 . 0 0 "[ . 1 . 2]" 1
206 1 9 PHE HA 1 89 PHE QD 3.194 . 4.470 3.909 3.737 4.211 . 0 0 "[ . 1 . 2]" 1
207 1 9 PHE HB2 1 9 PHE QD 2.803 . 3.785 2.450 2.313 2.483 . 0 0 "[ . 1 . 2]" 1
208 1 9 PHE HB2 1 10 GLU H 3.746 . 5.500 4.344 4.243 4.393 . 0 0 "[ . 1 . 2]" 1
209 1 9 PHE HB2 1 29 TRP HE1 3.738 . 5.485 3.848 3.668 3.969 . 0 0 "[ . 1 . 2]" 1
210 1 9 PHE HB2 1 89 PHE HA 3.965 . 5.930 3.838 3.717 3.981 . 0 0 "[ . 1 . 2]" 1
211 1 9 PHE HB2 1 89 PHE QD 3.279 . 4.623 2.287 2.083 2.573 . 0 0 "[ . 1 . 2]" 1
212 1 9 PHE HB3 1 9 PHE QD 2.826 . 3.824 2.350 2.326 2.496 . 0 0 "[ . 1 . 2]" 1
213 1 9 PHE HB3 1 10 GLU H 3.078 . 4.262 4.245 4.172 4.308 0.046 5 0 "[ . 1 . 2]" 1
214 1 9 PHE HB3 1 10 GLU QG 2.877 . 5.000 4.264 3.471 4.459 . 0 0 "[ . 1 . 2]" 1
215 1 9 PHE HB3 1 29 TRP HE1 3.182 . 4.448 3.955 3.640 4.178 . 0 0 "[ . 1 . 2]" 1
216 1 9 PHE HB3 1 89 PHE HA 3.482 . 4.998 5.402 5.301 5.545 0.547 11 2 "[ - . 1+ . 2]" 1
217 1 9 PHE HB3 1 89 PHE QD 3.176 . 4.437 3.938 3.731 4.131 . 0 0 "[ . 1 . 2]" 1
218 1 9 PHE HB3 1 89 PHE QE 3.172 . 4.430 3.795 3.452 4.013 . 0 0 "[ . 1 . 2]" 1
219 1 9 PHE QD 1 10 GLU H 3.052 . 4.216 3.789 3.529 3.888 . 0 0 "[ . 1 . 2]" 1
220 1 9 PHE QD 1 10 GLU QG 3.504 . 4.812 2.846 1.804 3.119 0.166 11 0 "[ . 1 . 2]" 1
221 1 9 PHE QD 1 38 HIS HB3 3.769 . 5.544 4.674 4.480 4.986 . 0 0 "[ . 1 . 2]" 1
222 1 9 PHE QD 1 88 MET H 3.644 . 5.303 4.488 3.913 4.962 . 0 0 "[ . 1 . 2]" 1
223 1 9 PHE QD 1 89 PHE HA 3.285 . 4.634 3.154 2.864 3.809 . 0 0 "[ . 1 . 2]" 1
224 1 9 PHE QE 1 10 GLU H 3.691 . 5.394 4.839 4.566 4.950 . 0 0 "[ . 1 . 2]" 1
225 1 9 PHE QE 1 10 GLU QG 3.392 . 4.448 3.019 2.790 3.426 . 0 0 "[ . 1 . 2]" 1
226 1 9 PHE QE 1 38 HIS HA 3.576 . 5.175 5.581 5.340 5.889 0.714 11 5 "[ *.* * 1+- . 2]" 1
227 1 9 PHE QE 1 38 HIS HB2 3.494 . 5.020 4.213 4.012 4.427 . 0 0 "[ . 1 . 2]" 1
228 1 9 PHE QE 1 38 HIS HB3 3.375 . 4.799 3.941 3.713 4.248 . 0 0 "[ . 1 . 2]" 1
229 1 9 PHE QE 1 87 HIS HA 2.901 . 3.953 3.546 3.289 4.160 0.207 11 0 "[ . 1 . 2]" 1
230 1 9 PHE QE 1 88 MET H 2.804 . 3.787 3.404 2.935 4.336 0.549 11 1 "[ . 1+ . 2]" 1
231 1 9 PHE HZ 1 10 GLU QG 3.593 . 5.206 3.984 3.709 5.481 0.275 11 0 "[ . 1 . 2]" 1
232 1 10 GLU H 1 10 GLU HA 2.323 . 2.998 2.265 2.261 2.278 . 0 0 "[ . 1 . 2]" 1
233 1 10 GLU H 1 10 GLU HB2 2.965 . 4.064 3.588 3.509 4.014 . 0 0 "[ . 1 . 2]" 1
234 1 10 GLU H 1 10 GLU HB3 3.095 . 4.292 4.041 3.101 4.098 . 0 0 "[ . 1 . 2]" 1
235 1 10 GLU H 1 10 GLU QG 2.849 . 3.864 2.837 2.760 3.544 . 0 0 "[ . 1 . 2]" 1
236 1 10 GLU H 1 11 LYS H 2.841 . 3.850 2.678 2.635 2.739 . 0 0 "[ . 1 . 2]" 1
237 1 10 GLU H 1 12 VAL H 3.599 . 5.218 4.384 4.290 4.420 . 0 0 "[ . 1 . 2]" 1
238 1 10 GLU HA 1 10 GLU HB2 2.503 . 3.286 2.987 2.395 3.020 . 0 0 "[ . 1 . 2]" 1
239 1 10 GLU HA 1 10 GLU HB3 2.317 . 2.988 2.493 2.468 2.513 . 0 0 "[ . 1 . 2]" 1
240 1 10 GLU HA 1 10 GLU QG 2.620 . 3.478 2.449 2.341 3.332 . 0 0 "[ . 1 . 2]" 1
241 1 10 GLU HA 1 11 LYS H 2.509 . 3.296 2.739 2.606 2.777 . 0 0 "[ . 1 . 2]" 1
242 1 10 GLU HA 1 11 LYS QG 3.070 . 4.248 3.499 3.213 4.140 . 0 0 "[ . 1 . 2]" 1
243 1 10 GLU HA 1 12 VAL H 3.601 . 5.222 4.240 4.166 4.272 . 0 0 "[ . 1 . 2]" 1
244 1 10 GLU HB2 1 10 GLU QG 2.553 . 3.309 2.345 2.274 2.429 . 0 0 "[ . 1 . 2]" 1
245 1 10 GLU HB2 1 11 LYS H 2.563 . 5.000 4.273 4.236 4.489 . 0 0 "[ . 1 . 2]" 1
246 1 10 GLU HB2 1 12 VAL H 3.355 . 4.762 3.621 3.490 4.395 . 0 0 "[ . 1 . 2]" 1
247 1 10 GLU HB3 1 10 GLU QG 2.322 . 2.996 2.335 2.247 2.404 . 0 0 "[ . 1 . 2]" 1
248 1 10 GLU HB3 1 11 LYS H 3.045 . 4.204 4.438 4.395 4.590 0.386 11 0 "[ . 1 . 2]" 1
249 1 10 GLU HB3 1 12 VAL H 3.369 . 4.788 4.291 4.195 4.744 . 0 0 "[ . 1 . 2]" 1
250 1 10 GLU QG 1 11 LYS H 3.465 . 4.966 4.463 3.836 4.503 . 0 0 "[ . 1 . 2]" 1
251 1 11 LYS H 1 11 LYS HA 2.239 . 2.866 2.261 2.235 2.268 . 0 0 "[ . 1 . 2]" 1
252 1 11 LYS H 1 11 LYS QB 3.114 . 4.142 3.375 3.021 3.447 . 0 0 "[ . 1 . 2]" 1
253 1 11 LYS H 1 11 LYS QG 2.563 . 3.384 2.941 2.868 3.457 0.073 4 0 "[ . 1 . 2]" 1
254 1 11 LYS HA 1 11 LYS QB 2.464 . 3.223 2.364 2.159 2.406 . 0 0 "[ . 1 . 2]" 1
255 1 11 LYS HA 1 11 LYS HD2 2.979 . 4.088 4.379 2.876 4.785 0.697 4 8 "[***+. 1 ** - * 2]" 1
256 1 11 LYS HA 1 11 LYS QE 3.483 . 5.000 4.590 3.773 5.446 0.446 4 0 "[ . 1 . 2]" 1
257 1 11 LYS HA 1 11 LYS QG 2.395 . 3.112 2.444 2.266 3.317 0.205 4 0 "[ . 1 . 2]" 1
258 1 11 LYS HA 1 12 VAL H 3.008 . 4.139 3.340 3.207 3.364 . 0 0 "[ . 1 . 2]" 1
259 1 11 LYS QB 1 11 LYS HD2 2.617 . 3.034 2.344 2.094 2.435 . 0 0 "[ . 1 . 2]" 1
260 1 11 LYS QB 1 11 LYS HD3 2.621 . 5.000 2.923 2.369 3.327 . 0 0 "[ . 1 . 2]" 1
261 1 11 LYS QB 1 11 LYS QE 2.824 . 3.619 2.780 2.043 3.664 0.045 13 0 "[ . 1 . 2]" 1
262 1 11 LYS QB 1 12 VAL H 3.564 . 5.131 3.386 3.319 3.948 . 0 0 "[ . 1 . 2]" 1
263 1 11 LYS HD2 1 11 LYS QE 2.092 . 2.639 2.280 2.161 2.481 . 0 0 "[ . 1 . 2]" 1
264 1 11 LYS HD2 1 11 LYS QG 2.324 . 2.999 2.383 2.345 2.481 . 0 0 "[ . 1 . 2]" 1
265 1 11 LYS HD3 1 11 LYS QE 2.173 . 5.000 2.339 2.170 2.445 . 0 0 "[ . 1 . 2]" 1
266 1 11 LYS HD3 1 11 LYS QG 2.312 . 2.980 2.236 2.127 2.350 . 0 0 "[ . 1 . 2]" 1
267 1 11 LYS QE 1 11 LYS QG 2.692 . 3.598 2.415 2.142 2.822 . 0 0 "[ . 1 . 2]" 1
268 1 12 VAL H 1 12 VAL HA 2.616 . 3.472 2.924 2.920 2.932 . 0 0 "[ . 1 . 2]" 1
269 1 12 VAL H 1 12 VAL HB 2.350 . 3.040 2.547 2.504 2.628 . 0 0 "[ . 1 . 2]" 1
270 1 12 VAL H 1 12 VAL QG 2.365 . 3.064 2.505 2.352 2.577 . 0 0 "[ . 1 . 2]" 1
271 1 12 VAL H 1 13 SER H 3.234 . 4.541 4.416 4.333 4.465 . 0 0 "[ . 1 . 2]" 1
272 1 12 VAL H 1 29 TRP HH2 3.399 . 4.843 4.819 4.535 5.073 0.230 20 0 "[ . 1 . 2]" 1
273 1 12 VAL HA 1 12 VAL HB 2.761 . 3.714 3.036 3.032 3.047 . 0 0 "[ . 1 . 2]" 1
274 1 12 VAL HA 1 12 VAL QG 2.165 . 2.751 2.181 2.167 2.188 . 0 0 "[ . 1 . 2]" 1
275 1 12 VAL HA 1 13 SER H 2.091 . 2.638 2.143 2.131 2.153 . 0 0 "[ . 1 . 2]" 1
276 1 12 VAL HA 1 29 TRP HH2 3.544 . 5.114 5.090 4.786 5.413 0.299 20 0 "[ . 1 . 2]" 1
277 1 12 VAL HA 1 29 TRP HZ2 3.724 . 5.458 4.858 4.786 4.940 . 0 0 "[ . 1 . 2]" 1
278 1 12 VAL HB 1 12 VAL QG 2.194 . 2.717 1.886 1.883 1.897 . 0 0 "[ . 1 . 2]" 1
279 1 12 VAL HB 1 13 SER H 3.250 . 4.570 4.307 4.232 4.373 . 0 0 "[ . 1 . 2]" 1
280 1 12 VAL HB 1 29 TRP HH2 2.657 . 5.000 2.636 2.133 2.845 . 0 0 "[ . 1 . 2]" 1
281 1 12 VAL HB 1 29 TRP HZ2 2.866 . 5.000 3.560 3.272 3.814 . 0 0 "[ . 1 . 2]" 1
282 1 12 VAL HB 1 36 LYS HD2 2.928 . 4.000 3.469 3.210 4.641 0.641 3 1 "[ + . 1 . 2]" 1
283 1 12 VAL MG1 1 12 VAL MG2 1.866 . 2.301 2.066 2.049 2.087 . 0 0 "[ . 1 . 2]" 1
284 1 12 VAL QG 1 13 SER H 2.470 . 3.232 2.840 2.725 2.979 . 0 0 "[ . 1 . 2]" 1
285 1 12 VAL QG 1 29 TRP HH2 2.397 . 3.115 2.318 2.102 2.546 . 0 0 "[ . 1 . 2]" 1
286 1 12 VAL QG 1 29 TRP HZ2 2.527 . 3.325 2.870 2.576 3.171 . 0 0 "[ . 1 . 2]" 1
287 1 12 VAL QG 1 29 TRP HZ3 3.059 . 4.228 4.085 3.812 4.338 0.110 20 0 "[ . 1 . 2]" 1
288 1 12 VAL QG 1 31 SER HA 2.559 . 3.377 3.353 3.012 3.549 0.172 7 0 "[ . 1 . 2]" 1
289 1 12 VAL QG 1 31 SER QB 2.443 . 3.179 2.745 2.234 2.965 . 0 0 "[ . 1 . 2]" 1
290 1 12 VAL QG 1 32 THR H 3.170 . 4.426 3.823 3.363 3.937 . 0 0 "[ . 1 . 2]" 1
291 1 12 VAL QG 1 33 ASP H 3.926 . 5.853 5.362 4.817 5.572 . 0 0 "[ . 1 . 2]" 1
292 1 12 VAL QG 1 36 LYS QB 3.154 . 3.749 3.209 2.972 3.317 . 0 0 "[ . 1 . 2]" 1
293 1 12 VAL QG 1 36 LYS HD2 2.392 . 3.107 2.063 1.739 2.998 . 0 0 "[ . 1 . 2]" 1
294 1 12 VAL QG 1 36 LYS HE2 3.278 . 4.008 2.330 1.631 3.770 0.304 16 0 "[ . 1 . 2]" 1
295 1 12 VAL QG 1 36 LYS HE3 3.432 . 3.846 3.261 1.988 4.409 0.563 3 1 "[ + . 1 . 2]" 1
296 1 13 SER H 1 13 SER HA 2.819 . 3.812 2.879 2.857 2.890 . 0 0 "[ . 1 . 2]" 1
297 1 13 SER H 1 13 SER QB 2.345 . 3.032 2.288 2.247 2.314 . 0 0 "[ . 1 . 2]" 1
298 1 13 SER H 1 14 GLY H 3.375 . 4.799 4.568 4.533 4.587 . 0 0 "[ . 1 . 2]" 1
299 1 13 SER HA 1 14 GLY H 2.198 . 2.802 2.160 2.136 2.192 . 0 0 "[ . 1 . 2]" 1
300 1 13 SER HA 1 29 TRP HE1 3.136 . 4.366 3.930 3.773 4.282 . 0 0 "[ . 1 . 2]" 1
301 1 13 SER HA 1 29 TRP HZ2 3.654 . 5.323 3.413 3.146 3.838 . 0 0 "[ . 1 . 2]" 1
302 1 13 SER HA 1 32 THR MG 3.043 . 4.201 5.605 4.287 6.769 2.568 19 11 "[** ** 1*- ****+2]" 1
303 1 13 SER QB 1 14 GLY H 2.739 . 3.889 3.587 3.545 3.649 . 0 0 "[ . 1 . 2]" 1
304 1 13 SER QB 1 32 THR MG 2.511 . 3.299 4.215 3.114 5.136 1.837 1 11 "[+- ** 1** *****2]" 1
305 1 14 GLY H 1 29 TRP HE1 2.564 . 3.386 2.747 2.638 2.920 . 0 0 "[ . 1 . 2]" 1
306 1 14 GLY QA 1 15 ILE H 2.597 . 3.176 2.176 2.163 2.195 . 0 0 "[ . 1 . 2]" 1
307 1 14 GLY QA 1 15 ILE QG 3.479 . 4.992 3.378 3.263 3.479 . 0 0 "[ . 1 . 2]" 1
308 1 14 GLY QA 1 29 TRP HE1 3.087 . 3.991 2.864 2.682 2.988 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLY QA 1 29 TRP HZ2 3.349 . 4.751 2.770 2.536 2.964 . 0 0 "[ . 1 . 2]" 1
310 1 14 GLY QA 1 30 ARG H 3.582 . 5.186 4.275 4.121 4.593 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLY QA 1 31 SER QB 3.219 . 5.000 3.775 3.697 3.877 . 0 0 "[ . 1 . 2]" 1
312 1 14 GLY QA 1 32 THR H 2.772 . 3.733 2.454 2.366 2.570 . 0 0 "[ . 1 . 2]" 1
313 1 14 GLY QA 1 32 THR HA 2.935 . 4.011 2.622 2.533 2.737 . 0 0 "[ . 1 . 2]" 1
314 1 14 GLY QA 1 32 THR HB 3.351 . 4.755 4.188 4.010 4.524 . 0 0 "[ . 1 . 2]" 1
315 1 14 GLY QA 1 32 THR MG . . 3.249 3.120 2.050 4.046 0.797 16 11 "[** ** 1*- *+***2]" 1
316 1 15 ILE H 1 15 ILE HA 2.917 . 3.981 2.946 2.944 2.949 . 0 0 "[ . 1 . 2]" 1
317 1 15 ILE H 1 15 ILE HB 2.560 . 3.379 2.567 2.542 2.599 . 0 0 "[ . 1 . 2]" 1
318 1 15 ILE H 1 15 ILE MD 2.898 . 3.948 4.090 3.789 4.185 0.237 5 0 "[ . 1 . 2]" 1
319 1 15 ILE H 1 15 ILE QG 3.285 . 4.485 3.130 2.995 3.262 . 0 0 "[ . 1 . 2]" 1
320 1 15 ILE H 1 29 TRP HA 3.588 . 5.197 4.910 4.781 5.060 . 0 0 "[ . 1 . 2]" 1
321 1 15 ILE H 1 29 TRP HE1 3.198 . 4.477 4.061 3.946 4.157 . 0 0 "[ . 1 . 2]" 1
322 1 15 ILE H 1 30 ARG H 2.677 . 3.573 3.235 3.035 3.498 . 0 0 "[ . 1 . 2]" 1
323 1 15 ILE H 1 32 THR H 3.227 . 4.529 4.555 4.536 4.579 0.050 3 0 "[ . 1 . 2]" 1
324 1 15 ILE HA 1 15 ILE HB 2.595 . 3.436 3.021 3.015 3.027 . 0 0 "[ . 1 . 2]" 1
325 1 15 ILE HA 1 15 ILE MD 2.326 . 3.002 3.908 3.879 3.929 0.927 12 20 [***********+*******-] 1
326 1 15 ILE HA 1 15 ILE QG 2.966 . 3.751 2.420 2.378 2.455 . 0 0 "[ . 1 . 2]" 1
327 1 15 ILE HA 1 15 ILE MG 2.251 . 2.884 2.613 2.563 2.658 . 0 0 "[ . 1 . 2]" 1
328 1 15 ILE HA 1 16 ILE H 2.408 . 3.133 2.221 2.196 2.235 . 0 0 "[ . 1 . 2]" 1
329 1 15 ILE HB 1 15 ILE MD 2.322 . 5.000 2.411 2.304 2.445 . 0 0 "[ . 1 . 2]" 1
330 1 15 ILE HB 1 15 ILE QG 2.278 . 2.927 2.405 2.380 2.479 . 0 0 "[ . 1 . 2]" 1
331 1 15 ILE HB 1 15 ILE MG 2.007 . 2.510 2.119 2.114 2.122 . 0 0 "[ . 1 . 2]" 1
332 1 15 ILE HB 1 32 THR HA 3.684 . 5.380 4.116 3.913 4.287 . 0 0 "[ . 1 . 2]" 1
333 1 15 ILE HB 1 32 THR MG 3.390 . 5.000 5.134 4.822 5.482 0.482 16 0 "[ . 1 . 2]" 1
334 1 15 ILE MD 1 15 ILE QG 1.860 . 2.292 1.886 1.882 1.887 . 0 0 "[ . 1 . 2]" 1
335 1 15 ILE MD 1 32 THR HB 3.247 . 5.000 5.009 3.936 5.658 0.658 15 4 "[ * 1* + - 2]" 1
336 1 15 ILE MD 1 32 THR MG 2.495 . 3.273 3.364 3.057 3.717 0.444 9 0 "[ . 1 . 2]" 1
337 1 15 ILE QG 1 15 ILE MG 2.231 . 2.853 2.333 2.230 2.365 . 0 0 "[ . 1 . 2]" 1
338 1 15 ILE QG 1 32 THR HA 3.096 . 3.139 3.095 2.869 3.416 0.277 8 0 "[ . 1 . 2]" 1
339 1 15 ILE MG 1 16 ILE H 2.440 . 3.184 2.544 2.463 2.698 . 0 0 "[ . 1 . 2]" 1
340 1 15 ILE MG 1 17 ALA HA 3.219 . 4.515 4.425 4.338 4.516 0.001 12 0 "[ . 1 . 2]" 1
341 1 15 ILE MG 1 30 ARG H 3.219 . 4.514 4.408 4.261 4.515 0.001 4 0 "[ . 1 . 2]" 1
342 1 15 ILE MG 1 30 ARG HB2 3.581 . 5.184 4.178 3.716 4.416 . 0 0 "[ . 1 . 2]" 1
343 1 15 ILE MG 1 30 ARG QD 3.463 . 4.962 4.861 3.947 5.640 0.678 13 2 "[ . 1 + . - 2]" 1
344 1 16 ILE H 1 16 ILE HA 2.802 . 3.783 2.930 2.927 2.935 . 0 0 "[ . 1 . 2]" 1
345 1 16 ILE H 1 16 ILE HB 2.672 . 3.564 2.417 2.298 2.733 . 0 0 "[ . 1 . 2]" 1
346 1 16 ILE H 1 17 ALA H 3.379 . 4.806 4.512 4.482 4.531 . 0 0 "[ . 1 . 2]" 1
347 1 16 ILE HA 1 16 ILE HB 2.544 . 3.353 2.760 2.527 2.875 . 0 0 "[ . 1 . 2]" 1
348 1 16 ILE HA 1 16 ILE MD 2.994 . 4.114 3.501 2.810 3.716 . 0 0 "[ . 1 . 2]" 1
349 1 16 ILE HA 1 16 ILE QG 2.335 . 3.017 2.052 1.928 2.270 . 0 0 "[ . 1 . 2]" 1
350 1 16 ILE HA 1 16 ILE MG 2.602 . 3.449 3.123 3.018 3.271 . 0 0 "[ . 1 . 2]" 1
351 1 16 ILE HA 1 17 ALA H 2.321 . 2.994 2.192 2.156 2.214 . 0 0 "[ . 1 . 2]" 1
352 1 16 ILE HA 1 29 TRP HA 2.367 . 3.067 2.224 2.203 2.248 . 0 0 "[ . 1 . 2]" 1
353 1 16 ILE HA 1 29 TRP HB2 3.109 . 4.317 3.854 3.752 3.940 . 0 0 "[ . 1 . 2]" 1
354 1 16 ILE HA 1 29 TRP HB3 3.257 . 5.000 5.034 4.994 5.071 0.071 6 0 "[ . 1 . 2]" 1
355 1 16 ILE HA 1 29 TRP HD1 2.967 . 4.067 3.554 3.307 3.819 . 0 0 "[ . 1 . 2]" 1
356 1 16 ILE HA 1 30 ARG H 3.002 . 4.129 3.212 3.097 3.302 . 0 0 "[ . 1 . 2]" 1
357 1 16 ILE HB 1 16 ILE MD 2.279 . 2.928 2.614 2.234 2.880 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE HB 1 16 ILE QG 2.557 . 3.374 2.293 2.174 2.536 . 0 0 "[ . 1 . 2]" 1
359 1 16 ILE HB 1 16 ILE MG 2.234 . 2.858 2.116 2.111 2.124 . 0 0 "[ . 1 . 2]" 1
360 1 16 ILE HB 1 17 ALA H 3.130 . 4.355 4.367 4.241 4.433 0.078 20 0 "[ . 1 . 2]" 1
361 1 16 ILE HB 1 27 LEU QD 2.962 . 5.000 4.238 3.901 4.469 . 0 0 "[ . 1 . 2]" 1
362 1 16 ILE HB 1 29 TRP HA 3.150 . 4.390 4.410 3.864 4.611 0.221 1 0 "[ . 1 . 2]" 1
363 1 16 ILE HB 1 29 TRP HD1 2.674 . 3.568 3.398 2.777 3.857 0.289 20 0 "[ . 1 . 2]" 1
364 1 16 ILE MD 1 16 ILE MG 2.242 . 2.870 2.079 1.785 2.987 0.117 2 0 "[ . 1 . 2]" 1
365 1 16 ILE MD 1 27 LEU QD 2.346 . 2.944 1.804 1.638 2.197 0.020 18 0 "[ . 1 . 2]" 1
366 1 16 ILE MD 1 27 LEU HG 2.899 . 3.949 2.547 2.205 3.229 . 0 0 "[ . 1 . 2]" 1
367 1 16 ILE MD 1 29 TRP HA 3.497 . 5.026 3.902 2.804 4.288 . 0 0 "[ . 1 . 2]" 1
368 1 16 ILE MD 1 60 LEU QD 2.726 . 3.655 3.024 2.832 3.743 0.088 2 0 "[ . 1 . 2]" 1
369 1 16 ILE MD 1 89 PHE HA 3.634 . 5.285 5.144 4.726 5.447 0.162 13 0 "[ . 1 . 2]" 1
370 1 16 ILE MD 1 89 PHE HB2 2.907 . 3.964 3.626 3.190 3.993 0.029 18 0 "[ . 1 . 2]" 1
371 1 16 ILE MD 1 89 PHE QD 2.538 . 3.343 3.017 2.746 3.215 . 0 0 "[ . 1 . 2]" 1
372 1 16 ILE MD 1 89 PHE QE 2.655 . 3.536 3.032 2.773 3.233 . 0 0 "[ . 1 . 2]" 1
373 1 16 ILE MD 1 91 PHE QE 2.794 . 3.770 3.606 2.987 4.231 0.461 2 0 "[ . 1 . 2]" 1
374 1 16 ILE MD 1 100 ILE MD 2.386 . 5.000 4.040 3.783 4.628 . 0 0 "[ . 1 . 2]" 1
375 1 16 ILE MD 1 100 ILE HG13 3.063 . 4.236 3.854 3.513 4.832 0.596 2 1 "[ + . 1 . 2]" 1
376 1 16 ILE MD 1 100 ILE MG 2.593 . 3.433 2.819 2.484 3.748 0.315 2 0 "[ . 1 . 2]" 1
377 1 16 ILE MD 1 104 LEU QD 3.702 . 5.415 3.786 3.586 4.308 . 0 0 "[ . 1 . 2]" 1
378 1 16 ILE QG 1 16 ILE MG 2.271 . 2.916 2.438 2.071 2.641 . 0 0 "[ . 1 . 2]" 1
379 1 16 ILE QG 1 17 ALA H 3.362 . 4.775 2.864 2.263 3.209 . 0 0 "[ . 1 . 2]" 1
380 1 16 ILE QG 1 27 LEU QD 2.982 . 3.518 2.709 1.698 3.417 0.173 2 0 "[ . 1 . 2]" 1
381 1 16 ILE QG 1 29 TRP HA 2.990 . 3.826 2.525 2.191 3.255 . 0 0 "[ . 1 . 2]" 1
382 1 16 ILE QG 1 29 TRP HB2 3.366 . 4.545 2.576 2.323 3.661 . 0 0 "[ . 1 . 2]" 1
383 1 16 ILE QG 1 29 TRP HB3 3.460 . 4.956 4.039 3.799 5.064 0.108 2 0 "[ . 1 . 2]" 1
384 1 16 ILE QG 1 29 TRP HD1 2.651 . 3.867 2.478 1.702 4.060 0.298 11 0 "[ . 1 . 2]" 1
385 1 16 ILE MG 1 17 ALA H 2.630 . 3.495 3.298 3.006 3.835 0.340 7 0 "[ . 1 . 2]" 1
386 1 16 ILE MG 1 17 ALA HA 2.791 . 3.765 3.471 3.248 3.887 0.122 7 0 "[ . 1 . 2]" 1
387 1 16 ILE MG 1 27 LEU QD 2.182 . 2.205 2.292 1.742 3.197 0.992 7 5 "[ - *. +* 1 .* 2]" 1
388 1 16 ILE MG 1 27 LEU HG 2.271 . 5.000 4.083 3.571 5.105 0.105 7 0 "[ . 1 . 2]" 1
389 1 16 ILE MG 1 28 THR H 3.237 . 5.000 5.065 4.599 5.900 0.900 7 5 "[ * -. +* 1 .* 2]" 1
390 1 16 ILE MG 1 29 TRP HA 2.848 . 5.000 4.648 4.399 4.934 . 0 0 "[ . 1 . 2]" 1
391 1 16 ILE MG 1 29 TRP HD1 2.936 . 5.000 4.612 4.373 4.845 . 0 0 "[ . 1 . 2]" 1
392 1 16 ILE MG 1 91 PHE QE 2.803 . 3.785 3.576 2.902 3.874 0.089 6 0 "[ . 1 . 2]" 1
393 1 16 ILE MG 1 91 PHE HZ 3.021 . 4.162 2.974 2.388 3.276 . 0 0 "[ . 1 . 2]" 1
394 1 16 ILE MG 1 96 VAL QG 2.638 . 3.508 3.584 3.187 3.817 0.309 18 0 "[ . 1 . 2]" 1
395 1 16 ILE MG 1 100 ILE MD 1.991 . 2.487 2.211 2.131 2.398 . 0 0 "[ . 1 . 2]" 1
396 1 17 ALA H 1 17 ALA HA 2.867 . 3.894 2.938 2.936 2.940 . 0 0 "[ . 1 . 2]" 1
397 1 17 ALA H 1 17 ALA MB 2.571 . 3.397 2.604 2.593 2.613 . 0 0 "[ . 1 . 2]" 1
398 1 17 ALA H 1 18 ILE H 3.464 . 4.964 4.385 4.335 4.418 . 0 0 "[ . 1 . 2]" 1
399 1 17 ALA H 1 28 THR H 2.946 . 4.031 3.407 3.313 3.521 . 0 0 "[ . 1 . 2]" 1
400 1 17 ALA H 1 29 TRP HA 3.010 . 4.142 3.223 3.163 3.291 . 0 0 "[ . 1 . 2]" 1
401 1 17 ALA HA 1 17 ALA MB 2.019 . 2.528 2.131 2.129 2.133 . 0 0 "[ . 1 . 2]" 1
402 1 17 ALA HA 1 18 ILE H 2.336 . 3.018 2.235 2.191 2.273 . 0 0 "[ . 1 . 2]" 1
403 1 17 ALA HA 1 100 ILE MD 3.394 . 4.834 4.071 3.872 4.349 . 0 0 "[ . 1 . 2]" 1
404 1 17 ALA MB 1 18 ILE H 2.562 . 3.382 2.834 2.767 2.963 . 0 0 "[ . 1 . 2]" 1
405 1 17 ALA MB 1 18 ILE HA 3.276 . 4.618 4.187 4.110 4.251 . 0 0 "[ . 1 . 2]" 1
406 1 17 ALA MB 1 18 ILE HB 3.341 . 5.000 4.939 4.886 5.004 0.004 20 0 "[ . 1 . 2]" 1
407 1 17 ALA MB 1 19 ASN H 3.523 . 5.074 5.003 4.906 5.151 0.077 8 0 "[ . 1 . 2]" 1
408 1 17 ALA MB 1 28 THR H 2.720 . 5.000 3.808 3.591 4.004 . 0 0 "[ . 1 . 2]" 1
409 1 17 ALA MB 1 28 THR HB 2.587 . 3.424 2.982 2.779 3.125 . 0 0 "[ . 1 . 2]" 1
410 1 18 ILE H 1 18 ILE HB 2.562 . 3.382 2.536 2.471 2.592 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE H 1 18 ILE MD 2.650 . 5.000 3.870 3.674 4.136 . 0 0 "[ . 1 . 2]" 1
412 1 18 ILE H 1 18 ILE QG 2.889 . 3.932 2.739 2.569 2.924 . 0 0 "[ . 1 . 2]" 1
413 1 18 ILE H 1 18 ILE MG 2.910 . 3.968 3.813 3.769 3.844 . 0 0 "[ . 1 . 2]" 1
414 1 18 ILE H 1 19 ASN H 3.562 . 5.148 4.440 4.387 4.492 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE HA 1 18 ILE HB 2.755 . 3.704 3.025 3.017 3.030 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE HA 1 18 ILE MD 2.427 . 5.000 3.845 3.783 3.882 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE HA 1 18 ILE QG 2.712 . 3.631 2.368 2.275 2.416 . 0 0 "[ . 1 . 2]" 1
418 1 18 ILE HA 1 18 ILE MG 2.373 . 3.077 2.513 2.474 2.586 . 0 0 "[ . 1 . 2]" 1
419 1 18 ILE HA 1 19 ASN H 2.338 . 3.021 2.111 2.005 2.167 . 0 0 "[ . 1 . 2]" 1
420 1 18 ILE HA 1 19 ASN HA 2.549 . 5.000 4.382 4.320 4.412 . 0 0 "[ . 1 . 2]" 1
421 1 18 ILE HA 1 27 LEU HA 2.405 . 3.128 2.306 2.240 2.372 . 0 0 "[ . 1 . 2]" 1
422 1 18 ILE HA 1 27 LEU HB2 2.922 . 3.989 4.079 3.800 4.215 0.226 5 0 "[ . 1 . 2]" 1
423 1 18 ILE HA 1 27 LEU QD 2.691 . 3.596 2.892 2.445 3.222 . 0 0 "[ . 1 . 2]" 1
424 1 18 ILE HA 1 28 THR H 3.151 . 4.392 2.949 2.776 3.114 . 0 0 "[ . 1 . 2]" 1
425 1 18 ILE HA 1 104 LEU QD 3.925 . 5.851 4.412 4.230 4.580 . 0 0 "[ . 1 . 2]" 1
426 1 18 ILE HB 1 18 ILE MD 2.312 . 2.980 2.351 2.299 2.429 . 0 0 "[ . 1 . 2]" 1
427 1 18 ILE HB 1 18 ILE MG 2.197 . 2.801 2.121 2.116 2.129 . 0 0 "[ . 1 . 2]" 1
428 1 18 ILE HB 1 19 ASN H 3.715 . 5.440 4.121 3.902 4.264 . 0 0 "[ . 1 . 2]" 1
429 1 18 ILE HB 1 103 THR MG 2.867 . 3.894 3.267 2.949 3.414 . 0 0 "[ . 1 . 2]" 1
430 1 18 ILE MD 1 18 ILE QG 2.114 . 2.673 1.876 1.854 1.886 . 0 0 "[ . 1 . 2]" 1
431 1 18 ILE MD 1 18 ILE MG 1.720 . 2.090 2.146 2.037 2.215 0.125 11 0 "[ . 1 . 2]" 1
432 1 18 ILE MD 1 19 ASN H 2.903 . 5.000 4.987 4.745 5.113 0.113 13 0 "[ . 1 . 2]" 1
433 1 18 ILE MD 1 27 LEU HA 2.582 . 5.000 4.639 4.280 4.830 . 0 0 "[ . 1 . 2]" 1
434 1 18 ILE MD 1 27 LEU QD 2.306 . 2.970 2.733 2.515 2.960 . 0 0 "[ . 1 . 2]" 1
435 1 18 ILE MD 1 27 LEU HG 2.628 . 5.000 5.390 5.089 5.640 0.640 15 2 "[ -. 1 + 2]" 1
436 1 18 ILE MD 1 100 ILE HA 2.581 . 3.414 2.620 2.431 2.836 . 0 0 "[ . 1 . 2]" 1
437 1 18 ILE MD 1 100 ILE HB 2.245 . 5.000 4.467 4.285 4.655 . 0 0 "[ . 1 . 2]" 1
438 1 18 ILE MD 1 103 THR HB 2.433 . 3.173 2.072 2.008 2.157 . 0 0 "[ . 1 . 2]" 1
439 1 18 ILE MD 1 104 LEU HA 2.659 . 3.543 3.653 3.360 3.867 0.324 11 0 "[ . 1 . 2]" 1
440 1 18 ILE QG 1 18 ILE MG 2.331 . 3.010 2.272 2.196 2.341 . 0 0 "[ . 1 . 2]" 1
441 1 18 ILE QG 1 19 ASN H 3.077 . 4.260 3.890 3.657 4.031 . 0 0 "[ . 1 . 2]" 1
442 1 18 ILE QG 1 27 LEU HA 3.363 . 4.776 3.014 2.674 3.215 . 0 0 "[ . 1 . 2]" 1
443 1 18 ILE QG 1 27 LEU QD 2.747 . 5.000 1.965 1.802 2.151 0.198 3 0 "[ . 1 . 2]" 1
444 1 18 ILE QG 1 103 THR MG 3.062 . 4.234 3.705 3.550 3.879 . 0 0 "[ . 1 . 2]" 1
445 1 18 ILE QG 1 104 LEU QD 2.572 . 3.559 2.544 2.254 2.756 . 0 0 "[ . 1 . 2]" 1
446 1 18 ILE MG 1 19 ASN H 2.721 . 3.646 2.519 2.209 2.691 . 0 0 "[ . 1 . 2]" 1
447 1 18 ILE MG 1 19 ASN HA 3.069 . 4.247 3.747 3.662 3.859 . 0 0 "[ . 1 . 2]" 1
448 1 18 ILE MG 1 20 GLU H 3.665 . 5.344 3.530 3.423 3.651 . 0 0 "[ . 1 . 2]" 1
449 1 18 ILE MG 1 20 GLU HB2 3.168 . 4.422 3.845 3.612 4.055 . 0 0 "[ . 1 . 2]" 1
450 1 18 ILE MG 1 20 GLU HB3 2.743 . 5.000 4.592 4.495 4.720 . 0 0 "[ . 1 . 2]" 1
451 1 18 ILE MG 1 20 GLU QG 2.698 . 3.576 2.036 1.885 2.514 . 0 0 "[ . 1 . 2]" 1
452 1 18 ILE MG 1 27 LEU HA 2.564 . 3.386 3.509 3.226 3.688 0.302 3 0 "[ . 1 . 2]" 1
453 1 18 ILE MG 1 27 LEU HB2 2.633 . 5.000 3.905 3.621 4.066 . 0 0 "[ . 1 . 2]" 1
454 1 18 ILE MG 1 103 THR HB 2.799 . 3.779 3.818 3.664 3.979 0.200 14 0 "[ . 1 . 2]" 1
455 1 18 ILE MG 1 104 LEU HA 2.573 . 5.000 4.337 4.082 4.556 . 0 0 "[ . 1 . 2]" 1
456 1 19 ASN H 1 19 ASN HA 2.707 . 3.623 2.924 2.908 2.944 . 0 0 "[ . 1 . 2]" 1
457 1 19 ASN H 1 19 ASN QB 2.837 . 3.802 2.366 2.213 2.446 . 0 0 "[ . 1 . 2]" 1
458 1 19 ASN H 1 20 GLU H 3.463 . 4.962 4.167 4.033 4.245 . 0 0 "[ . 1 . 2]" 1
459 1 19 ASN H 1 26 GLU H 3.253 . 4.576 3.179 2.974 3.535 . 0 0 "[ . 1 . 2]" 1
460 1 19 ASN H 1 26 GLU HA 2.779 . 5.000 4.737 4.541 4.885 . 0 0 "[ . 1 . 2]" 1
461 1 19 ASN H 1 26 GLU QB 3.601 . 5.222 3.792 3.425 4.930 . 0 0 "[ . 1 . 2]" 1
462 1 19 ASN H 1 28 THR H 2.878 . 3.913 3.802 3.401 4.090 0.177 17 0 "[ . 1 . 2]" 1
463 1 19 ASN HA 1 19 ASN QB 2.452 . 3.204 2.460 2.373 2.557 . 0 0 "[ . 1 . 2]" 1
464 1 19 ASN HA 1 20 GLU H 2.244 . 2.873 2.185 2.158 2.235 . 0 0 "[ . 1 . 2]" 1
465 1 19 ASN HA 1 20 GLU HA 3.359 . 4.769 4.394 4.383 4.400 . 0 0 "[ . 1 . 2]" 1
466 1 19 ASN HA 1 22 VAL H 3.709 . 5.428 5.504 5.476 5.532 0.104 10 0 "[ . 1 . 2]" 1
467 1 19 ASN QB 1 19 ASN HD21 3.344 . 4.539 2.247 2.202 2.285 . 0 0 "[ . 1 . 2]" 1
468 1 19 ASN QB 1 19 ASN HD22 3.190 . 4.273 3.223 3.210 3.235 . 0 0 "[ . 1 . 2]" 1
469 1 19 ASN QB 1 20 GLU H 3.818 . 4.788 3.737 3.582 3.935 . 0 0 "[ . 1 . 2]" 1
470 1 19 ASN QB 1 22 VAL QG 2.891 . 3.935 2.042 1.894 2.464 . 0 0 "[ . 1 . 2]" 1
471 1 19 ASN QB 1 26 GLU H 3.409 . 4.423 2.378 1.838 2.675 0.119 17 0 "[ . 1 . 2]" 1
472 1 19 ASN QB 1 26 GLU QB 3.122 . 4.307 2.549 2.204 3.455 . 0 0 "[ . 1 . 2]" 1
473 1 19 ASN QB 1 26 GLU HG3 3.542 . 5.111 2.551 1.853 3.005 0.124 12 0 "[ . 1 . 2]" 1
474 1 19 ASN QB 1 28 THR MG 3.350 . 4.753 5.011 4.500 5.344 0.591 10 7 "[ * . * *+* .- *]" 1
475 1 19 ASN HD21 1 22 VAL QG 3.025 . 4.169 3.210 2.482 3.657 . 0 0 "[ . 1 . 2]" 1
476 1 19 ASN HD22 1 22 VAL QG 3.124 . 4.344 3.616 2.314 4.588 0.244 10 0 "[ . 1 . 2]" 1
477 1 20 GLU H 1 20 GLU HA 2.952 . 4.042 2.944 2.941 2.946 . 0 0 "[ . 1 . 2]" 1
478 1 20 GLU H 1 20 GLU HB2 3.046 . 4.206 2.642 2.548 2.713 . 0 0 "[ . 1 . 2]" 1
479 1 20 GLU H 1 20 GLU HB3 2.775 . 3.738 3.776 3.692 3.818 0.080 6 0 "[ . 1 . 2]" 1
480 1 20 GLU H 1 20 GLU QG 3.039 . 3.807 3.058 2.924 3.382 . 0 0 "[ . 1 . 2]" 1
481 1 20 GLU H 1 21 ASP H 2.379 . 5.000 4.478 4.466 4.485 . 0 0 "[ . 1 . 2]" 1
482 1 20 GLU H 1 22 VAL H 3.099 . 4.300 4.376 4.361 4.396 0.096 20 0 "[ . 1 . 2]" 1
483 1 20 GLU H 1 22 VAL QG 3.522 . 5.072 3.284 3.203 3.357 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLU HA 1 20 GLU HB2 2.550 . 3.363 3.022 2.999 3.028 . 0 0 "[ . 1 . 2]" 1
485 1 20 GLU HA 1 20 GLU HB3 2.559 . 3.377 2.513 2.473 2.614 . 0 0 "[ . 1 . 2]" 1
486 1 20 GLU HA 1 20 GLU QG 2.728 . 3.350 2.442 2.348 2.511 . 0 0 "[ . 1 . 2]" 1
487 1 20 GLU HA 1 21 ASP H 2.880 . 3.917 2.543 2.527 2.553 . 0 0 "[ . 1 . 2]" 1
488 1 20 GLU HA 1 22 VAL H 2.883 . 3.922 2.812 2.749 2.862 . 0 0 "[ . 1 . 2]" 1
489 1 20 GLU HA 1 22 VAL QG 2.968 . 4.069 2.566 2.516 2.672 . 0 0 "[ . 1 . 2]" 1
490 1 20 GLU HA 1 25 ALA HA 2.589 . 3.427 3.128 3.023 3.281 . 0 0 "[ . 1 . 2]" 1
491 1 20 GLU HA 1 25 ALA MB 2.426 . 3.162 2.541 2.466 2.630 . 0 0 "[ . 1 . 2]" 1
492 1 20 GLU HA 1 26 GLU H 3.325 . 4.707 4.118 3.886 4.481 . 0 0 "[ . 1 . 2]" 1
493 1 20 GLU HA 1 107 ILE MD 3.206 . 4.491 4.589 4.469 4.870 0.379 20 0 "[ . 1 . 2]" 1
494 1 20 GLU HB2 1 20 GLU QG 2.441 . 2.934 2.275 2.119 2.395 . 0 0 "[ . 1 . 2]" 1
495 1 20 GLU HB2 1 21 ASP H 3.691 . 5.394 3.514 3.444 3.673 . 0 0 "[ . 1 . 2]" 1
496 1 20 GLU HB2 1 25 ALA MB 3.012 . 4.146 4.325 4.249 4.373 0.227 8 0 "[ . 1 . 2]" 1
497 1 20 GLU HB2 1 107 ILE MD 3.181 . 4.446 4.660 4.414 4.925 0.479 20 0 "[ . 1 . 2]" 1
498 1 20 GLU HB3 1 20 GLU QG 2.337 . 2.760 2.400 2.283 2.518 . 0 0 "[ . 1 . 2]" 1
499 1 20 GLU HB3 1 21 ASP H 3.139 . 4.371 2.291 2.261 2.312 . 0 0 "[ . 1 . 2]" 1
500 1 20 GLU HB3 1 25 ALA MB 2.764 . 3.719 3.625 3.461 3.948 0.229 17 0 "[ . 1 . 2]" 1
501 1 20 GLU HB3 1 107 ILE MD 2.540 . 5.000 4.572 4.410 4.848 . 0 0 "[ . 1 . 2]" 1
502 1 20 GLU QG 1 25 ALA MB 2.859 . 3.485 2.075 1.967 2.183 . 0 0 "[ . 1 . 2]" 1
503 1 20 GLU QG 1 103 THR MG 3.071 . 4.250 3.511 3.338 3.871 . 0 0 "[ . 1 . 2]" 1
504 1 20 GLU QG 1 107 ILE MD 2.578 . 3.409 2.408 2.268 2.661 . 0 0 "[ . 1 . 2]" 1
505 1 21 ASP H 1 21 ASP HA 2.569 . 3.394 2.282 2.274 2.289 . 0 0 "[ . 1 . 2]" 1
506 1 21 ASP H 1 21 ASP HB2 2.614 . 3.468 3.630 3.547 3.674 0.206 16 0 "[ . 1 . 2]" 1
507 1 21 ASP H 1 21 ASP HB3 2.470 . 5.000 4.145 4.120 4.177 . 0 0 "[ . 1 . 2]" 1
508 1 21 ASP H 1 22 VAL H 2.252 . 2.886 2.581 2.549 2.611 . 0 0 "[ . 1 . 2]" 1
509 1 21 ASP H 1 22 VAL QG 2.965 . 4.064 3.649 3.619 3.673 . 0 0 "[ . 1 . 2]" 1
510 1 21 ASP HA 1 21 ASP HB2 2.229 . 2.850 3.017 2.996 3.031 0.181 20 0 "[ . 1 . 2]" 1
511 1 21 ASP HA 1 21 ASP HB3 2.308 . 2.974 2.490 2.462 2.547 . 0 0 "[ . 1 . 2]" 1
512 1 21 ASP HA 1 22 VAL H 2.642 . 3.514 3.176 3.140 3.203 . 0 0 "[ . 1 . 2]" 1
513 1 21 ASP HB2 1 22 VAL H 3.029 . 4.176 3.610 3.555 3.640 . 0 0 "[ . 1 . 2]" 1
514 1 21 ASP HB2 1 22 VAL QG 3.185 . 4.453 3.471 3.369 3.603 . 0 0 "[ . 1 . 2]" 1
515 1 21 ASP HB3 1 22 VAL H 2.874 . 3.906 4.254 4.169 4.304 0.398 8 0 "[ . 1 . 2]" 1
516 1 21 ASP HB3 1 22 VAL QG 3.262 . 4.592 4.260 4.130 4.362 . 0 0 "[ . 1 . 2]" 1
517 1 22 VAL H 1 22 VAL HA 2.491 . 3.267 2.928 2.923 2.935 . 0 0 "[ . 1 . 2]" 1
518 1 22 VAL H 1 22 VAL HB 2.733 . 3.667 3.684 3.659 3.698 0.031 4 0 "[ . 1 . 2]" 1
519 1 22 VAL H 1 22 VAL QG 2.156 . 2.737 1.960 1.935 1.985 . 0 0 "[ . 1 . 2]" 1
520 1 22 VAL H 1 23 SER H 3.149 . 4.388 4.453 4.435 4.469 0.081 17 0 "[ . 1 . 2]" 1
521 1 22 VAL H 1 25 ALA HA 3.301 . 4.663 4.319 4.221 4.452 . 0 0 "[ . 1 . 2]" 1
522 1 22 VAL H 1 25 ALA MB 3.726 . 5.461 4.333 4.197 4.460 . 0 0 "[ . 1 . 2]" 1
523 1 22 VAL H 1 39 THR MG 8.181 . 16.547 8.754 8.497 9.705 . 0 0 "[ . 1 . 2]" 1
524 1 22 VAL HA 1 22 VAL HB 2.186 . 2.783 2.508 2.475 2.551 . 0 0 "[ . 1 . 2]" 1
525 1 22 VAL HA 1 22 VAL QG 2.036 . 2.554 2.274 2.231 2.305 . 0 0 "[ . 1 . 2]" 1
526 1 22 VAL HA 1 23 SER H 2.017 . 5.000 2.677 2.651 2.694 . 0 0 "[ . 1 . 2]" 1
527 1 22 VAL HA 1 23 SER HB3 3.309 . 4.677 4.761 4.693 4.812 0.135 17 0 "[ . 1 . 2]" 1
528 1 22 VAL HB 1 22 VAL QG 1.879 . 2.320 1.902 1.900 1.903 . 0 0 "[ . 1 . 2]" 1
529 1 22 VAL HB 1 23 SER H 2.290 . 2.945 1.998 1.932 2.027 . 0 0 "[ . 1 . 2]" 1
530 1 22 VAL QG 1 23 SER H 2.509 . 3.417 2.916 2.865 2.973 . 0 0 "[ . 1 . 2]" 1
531 1 22 VAL QG 1 23 SER HB2 3.460 . 4.957 5.073 5.011 5.160 0.203 13 0 "[ . 1 . 2]" 1
532 1 22 VAL QG 1 25 ALA H 3.365 . 4.781 4.035 3.888 4.229 . 0 0 "[ . 1 . 2]" 1
533 1 22 VAL QG 1 25 ALA HA 2.375 . 3.080 2.489 2.362 2.609 . 0 0 "[ . 1 . 2]" 1
534 1 22 VAL QG 1 26 GLU H 2.649 . 3.526 3.167 3.029 3.292 . 0 0 "[ . 1 . 2]" 1
535 1 22 VAL QG 1 26 GLU HA 2.524 . 5.000 5.121 5.054 5.202 0.202 3 0 "[ . 1 . 2]" 1
536 1 22 VAL QG 1 26 GLU QB 2.726 . 5.000 3.976 3.759 4.335 . 0 0 "[ . 1 . 2]" 1
537 1 22 VAL QG 1 26 GLU HG2 2.579 . 3.410 3.778 2.901 4.110 0.700 7 9 "[ * *.*+ 1* * .- * *]" 1
538 1 22 VAL QG 1 26 GLU HG3 2.919 . 3.984 2.735 2.389 4.148 0.164 8 0 "[ . 1 . 2]" 1
539 1 23 SER H 1 23 SER HA 2.690 . 3.594 2.879 2.871 2.887 . 0 0 "[ . 1 . 2]" 1
540 1 23 SER H 1 23 SER HB2 2.638 . 3.508 3.588 3.565 3.608 0.100 17 0 "[ . 1 . 2]" 1
541 1 23 SER H 1 23 SER HB3 2.545 . 3.355 2.506 2.426 2.558 . 0 0 "[ . 1 . 2]" 1
542 1 23 SER HA 1 23 SER HB2 2.267 . 2.909 2.434 2.413 2.459 . 0 0 "[ . 1 . 2]" 1
543 1 23 SER HA 1 23 SER HB3 2.296 . 2.955 2.527 2.499 2.553 . 0 0 "[ . 1 . 2]" 1
544 1 24 PRO HA 1 24 PRO HB2 2.482 . 3.252 2.996 2.994 3.000 . 0 0 "[ . 1 . 2]" 1
545 1 24 PRO HA 1 24 PRO HB3 2.401 . 3.122 2.322 2.318 2.328 . 0 0 "[ . 1 . 2]" 1
546 1 24 PRO HA 1 24 PRO HD2 2.983 . 4.095 3.867 3.857 3.870 . 0 0 "[ . 1 . 2]" 1
547 1 24 PRO HA 1 24 PRO HG2 2.743 . 5.000 3.795 3.786 3.800 . 0 0 "[ . 1 . 2]" 1
548 1 24 PRO HA 1 41 VAL QG 3.268 . 4.603 4.251 4.201 4.307 . 0 0 "[ . 1 . 2]" 1
549 1 24 PRO HA 1 111 TYR QE 3.602 . 5.224 3.668 3.541 3.763 . 0 0 "[ . 1 . 2]" 1
550 1 24 PRO HB2 1 24 PRO HD2 2.297 . 2.957 2.991 2.878 3.030 0.073 11 0 "[ . 1 . 2]" 1
551 1 24 PRO HB2 1 25 ALA H 2.767 . 5.000 3.921 3.907 3.947 . 0 0 "[ . 1 . 2]" 1
552 1 24 PRO HB2 1 41 VAL QG 2.070 . 2.606 2.163 2.125 2.217 . 0 0 "[ . 1 . 2]" 1
553 1 24 PRO HB2 1 43 SER HB2 3.161 . 4.410 4.297 4.151 4.572 0.162 17 0 "[ . 1 . 2]" 1
554 1 24 PRO HB2 1 43 SER HB3 3.134 . 4.362 3.215 3.027 3.479 . 0 0 "[ . 1 . 2]" 1
555 1 24 PRO HB2 1 111 TYR QE 3.750 . 5.508 4.360 4.240 4.526 . 0 0 "[ . 1 . 2]" 1
556 1 24 PRO HB3 1 24 PRO HD2 2.892 . 3.938 3.896 3.849 3.907 . 0 0 "[ . 1 . 2]" 1
557 1 24 PRO HB3 1 24 PRO HG2 2.354 . 3.047 2.602 2.585 2.609 . 0 0 "[ . 1 . 2]" 1
558 1 24 PRO HB3 1 25 ALA H 2.949 . 4.036 3.395 3.373 3.428 . 0 0 "[ . 1 . 2]" 1
559 1 24 PRO HB3 1 41 VAL QG 2.537 . 3.342 3.332 3.295 3.362 0.020 10 0 "[ . 1 . 2]" 1
560 1 24 PRO HB3 1 43 SER H 3.307 . 4.674 3.747 3.651 3.812 . 0 0 "[ . 1 . 2]" 1
561 1 24 PRO HB3 1 43 SER HA 2.698 . 5.000 4.743 4.628 4.967 . 0 0 "[ . 1 . 2]" 1
562 1 24 PRO HB3 1 43 SER HB2 3.079 . 4.264 3.515 3.392 3.777 . 0 0 "[ . 1 . 2]" 1
563 1 24 PRO HB3 1 43 SER HB3 2.978 . 4.087 2.267 2.144 2.485 . 0 0 "[ . 1 . 2]" 1
564 1 24 PRO HB3 1 111 TYR QE 3.513 . 5.055 2.853 2.634 3.180 . 0 0 "[ . 1 . 2]" 1
565 1 24 PRO HD2 1 24 PRO HG2 2.316 . 2.986 2.249 2.224 2.280 . 0 0 "[ . 1 . 2]" 1
566 1 24 PRO HD2 1 24 PRO HG3 2.297 . 2.957 2.844 2.824 2.870 . 0 0 "[ . 1 . 2]" 1
567 1 24 PRO HD2 1 41 VAL QG 2.728 . 3.658 3.697 3.658 3.768 0.110 17 0 "[ . 1 . 2]" 1
568 1 24 PRO HG2 1 41 VAL QG 2.248 . 5.000 3.488 3.445 3.641 . 0 0 "[ . 1 . 2]" 1
569 1 24 PRO HG2 1 43 SER HB2 3.326 . 4.708 4.386 4.243 4.666 . 0 0 "[ . 1 . 2]" 1
570 1 24 PRO HG2 1 43 SER HB3 3.331 . 4.718 4.067 3.939 4.264 . 0 0 "[ . 1 . 2]" 1
571 1 24 PRO HG3 1 41 VAL QG 2.133 . 5.000 4.385 4.349 4.487 . 0 0 "[ . 1 . 2]" 1
572 1 24 PRO HG3 1 43 SER HB2 3.172 . 4.429 4.663 4.517 5.022 0.593 17 1 "[ . 1 . + 2]" 1
573 1 24 PRO HG3 1 43 SER HB3 3.376 . 4.800 4.126 3.999 4.350 . 0 0 "[ . 1 . 2]" 1
574 1 25 ALA H 1 25 ALA HA 2.706 . 3.621 2.728 2.710 2.750 . 0 0 "[ . 1 . 2]" 1
575 1 25 ALA H 1 25 ALA MB 2.325 . 3.001 2.233 2.222 2.240 . 0 0 "[ . 1 . 2]" 1
576 1 25 ALA H 1 26 GLU H 2.924 . 5.000 4.555 4.522 4.601 . 0 0 "[ . 1 . 2]" 1
577 1 25 ALA HA 1 25 ALA MB 2.148 . 2.725 2.120 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
578 1 25 ALA HA 1 26 GLU H 2.232 . 2.855 2.118 2.072 2.179 . 0 0 "[ . 1 . 2]" 1
579 1 25 ALA HA 1 26 GLU QB 3.231 . 5.000 4.427 4.181 4.644 . 0 0 "[ . 1 . 2]" 1
580 1 25 ALA HA 1 26 GLU HG3 3.222 . 4.519 3.121 2.832 5.243 0.724 8 1 "[ . + 1 . 2]" 1
581 1 25 ALA MB 1 26 GLU H 2.564 . 3.385 2.741 2.640 2.933 . 0 0 "[ . 1 . 2]" 1
582 1 25 ALA MB 1 26 GLU HA 3.576 . 5.175 4.157 4.061 4.181 . 0 0 "[ . 1 . 2]" 1
583 1 25 ALA MB 1 42 LEU H 3.388 . 4.823 4.142 3.960 4.212 . 0 0 "[ . 1 . 2]" 1
584 1 25 ALA MB 1 42 LEU HB2 2.601 . 3.447 3.427 3.293 3.475 0.028 20 0 "[ . 1 . 2]" 1
585 1 25 ALA MB 1 42 LEU QD 2.222 . 2.839 3.131 2.666 4.038 1.199 4 3 "[ +.* 1 . - 2]" 1
586 1 25 ALA MB 1 107 ILE HA 3.677 . 5.367 4.512 4.380 4.703 . 0 0 "[ . 1 . 2]" 1
587 1 25 ALA MB 1 107 ILE MD 2.383 . 3.093 2.272 2.195 2.526 . 0 0 "[ . 1 . 2]" 1
588 1 25 ALA MB 1 107 ILE MG 2.149 . 2.726 2.012 1.957 2.059 . 0 0 "[ . 1 . 2]" 1
589 1 26 GLU H 1 26 GLU HA 2.927 . 3.998 2.916 2.911 2.919 . 0 0 "[ . 1 . 2]" 1
590 1 26 GLU H 1 26 GLU QB 2.734 . 3.669 2.939 2.777 3.160 . 0 0 "[ . 1 . 2]" 1
591 1 26 GLU H 1 26 GLU HG2 3.174 . 4.433 3.387 2.409 3.736 . 0 0 "[ . 1 . 2]" 1
592 1 26 GLU H 1 26 GLU HG3 3.316 . 4.690 2.404 2.112 3.322 . 0 0 "[ . 1 . 2]" 1
593 1 26 GLU H 1 27 LEU H 3.499 . 5.029 4.429 4.379 4.457 . 0 0 "[ . 1 . 2]" 1
594 1 26 GLU H 1 41 VAL QG 3.487 . 5.007 4.470 4.445 4.487 . 0 0 "[ . 1 . 2]" 1
595 1 26 GLU HA 1 26 GLU QB 2.394 . 3.029 2.206 2.140 2.266 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLU HA 1 26 GLU HG2 2.785 . 3.755 3.112 2.875 3.778 0.023 8 0 "[ . 1 . 2]" 1
597 1 26 GLU HA 1 26 GLU HG3 2.583 . 5.000 3.472 3.295 3.779 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLU HA 1 27 LEU H 2.352 . 3.044 2.375 2.151 2.455 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLU HA 1 27 LEU HB2 2.598 . 5.000 4.488 4.309 4.754 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLU HA 1 39 THR MG 2.649 . 4.526 4.043 3.908 4.309 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLU HA 1 40 VAL H 3.446 . 4.931 4.488 3.994 4.680 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLU HA 1 40 VAL QG 3.521 . 5.070 4.330 4.129 4.637 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLU HA 1 41 VAL HA 2.449 . 3.199 2.095 2.019 2.269 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLU HA 1 41 VAL QG 3.071 . 4.250 3.322 3.246 3.490 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLU HA 1 42 LEU H 2.889 . 3.932 2.663 2.577 2.975 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLU HA 1 42 LEU QD 2.933 . 4.000 2.515 2.247 3.972 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLU QB 1 26 GLU HG2 2.506 . 3.229 2.297 2.210 2.344 . 0 0 "[ . 1 . 2]" 1
608 1 26 GLU QB 1 26 GLU HG3 2.624 . 3.437 2.384 2.327 2.441 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLU QB 1 27 LEU H 2.728 . 3.658 2.533 2.326 2.994 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLU QB 1 28 THR MG 2.674 . 5.000 4.925 4.741 5.257 0.257 8 0 "[ . 1 . 2]" 1
611 1 26 GLU QB 1 39 THR HB 3.793 . 5.591 4.666 4.475 4.862 . 0 0 "[ . 1 . 2]" 1
612 1 26 GLU QB 1 39 THR MG 2.409 . 3.134 2.100 1.978 2.260 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLU QB 1 40 VAL QG 2.566 . 5.000 4.440 4.290 4.520 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLU QB 1 41 VAL HA 2.853 . 3.850 2.613 2.295 2.836 . 0 0 "[ . 1 . 2]" 1
615 1 26 GLU HG2 1 39 THR MG 3.096 . 4.294 3.649 3.372 4.370 0.076 8 0 "[ . 1 . 2]" 1
616 1 26 GLU HG2 1 41 VAL HA 2.888 . 3.930 3.016 2.573 4.896 0.966 8 1 "[ . + 1 . 2]" 1
617 1 26 GLU HG2 1 41 VAL QG 2.734 . 3.668 2.156 1.735 4.127 0.459 8 0 "[ . 1 . 2]" 1
618 1 26 GLU HG3 1 27 LEU H 3.446 . 4.931 4.900 4.066 5.119 0.188 14 0 "[ . 1 . 2]" 1
619 1 26 GLU HG3 1 39 THR MG 2.475 . 5.000 4.012 3.702 4.120 . 0 0 "[ . 1 . 2]" 1
620 1 26 GLU HG3 1 41 VAL HA 2.508 . 5.000 4.255 3.891 5.127 0.127 8 0 "[ . 1 . 2]" 1
621 1 27 LEU H 1 27 LEU HB2 2.806 . 3.790 3.091 2.801 3.236 . 0 0 "[ . 1 . 2]" 1
622 1 27 LEU H 1 27 LEU HB3 2.820 . 3.814 2.542 2.296 2.669 . 0 0 "[ . 1 . 2]" 1
623 1 27 LEU H 1 27 LEU QD 3.335 . 4.725 3.954 3.849 4.014 . 0 0 "[ . 1 . 2]" 1
624 1 27 LEU H 1 28 THR H 3.544 . 5.114 4.165 4.039 4.284 . 0 0 "[ . 1 . 2]" 1
625 1 27 LEU H 1 39 THR MG 3.175 . 4.435 3.466 3.223 4.182 . 0 0 "[ . 1 . 2]" 1
626 1 27 LEU H 1 40 VAL H 3.139 . 4.370 2.560 2.421 2.791 . 0 0 "[ . 1 . 2]" 1
627 1 27 LEU H 1 40 VAL QG 3.565 . 5.154 3.460 3.280 3.562 . 0 0 "[ . 1 . 2]" 1
628 1 27 LEU H 1 41 VAL HA 3.419 . 4.881 3.617 3.535 3.836 . 0 0 "[ . 1 . 2]" 1
629 1 27 LEU H 1 42 LEU H 3.210 . 4.498 4.468 4.191 4.538 0.040 9 0 "[ . 1 . 2]" 1
630 1 27 LEU H 1 42 LEU QD 2.986 . 4.100 2.991 2.557 3.740 . 0 0 "[ . 1 . 2]" 1
631 1 27 LEU HA 1 27 LEU HB2 2.449 . 3.199 2.415 2.375 2.464 . 0 0 "[ . 1 . 2]" 1
632 1 27 LEU HA 1 27 LEU HB3 2.701 . 3.613 3.016 3.006 3.030 . 0 0 "[ . 1 . 2]" 1
633 1 27 LEU HA 1 27 LEU QD 2.821 . 3.262 2.347 2.107 2.642 . 0 0 "[ . 1 . 2]" 1
634 1 27 LEU HA 1 27 LEU HG 2.780 . 3.746 3.177 2.874 3.323 . 0 0 "[ . 1 . 2]" 1
635 1 27 LEU HA 1 28 THR H 2.304 . 2.968 2.129 2.066 2.158 . 0 0 "[ . 1 . 2]" 1
636 1 27 LEU HA 1 104 LEU QD 3.436 . 4.911 3.797 3.626 4.183 . 0 0 "[ . 1 . 2]" 1
637 1 27 LEU HB2 1 27 LEU QD 2.652 . 3.531 2.167 2.126 2.180 . 0 0 "[ . 1 . 2]" 1
638 1 27 LEU HB2 1 28 THR H 2.668 . 5.000 4.327 4.190 4.418 . 0 0 "[ . 1 . 2]" 1
639 1 27 LEU HB2 1 40 VAL HB 2.753 . 5.000 3.436 3.287 3.588 . 0 0 "[ . 1 . 2]" 1
640 1 27 LEU HB2 1 40 VAL QG 2.928 2.375 4.000 3.771 3.559 3.964 . 0 0 "[ . 1 . 2]" 1
641 1 27 LEU HB3 1 27 LEU QD 2.351 . 3.042 2.235 2.083 2.315 . 0 0 "[ . 1 . 2]" 1
642 1 27 LEU HB3 1 28 THR H 3.333 . 4.722 4.401 4.251 4.480 . 0 0 "[ . 1 . 2]" 1
643 1 27 LEU HB3 1 40 VAL H 3.367 . 4.784 3.406 3.263 3.810 . 0 0 "[ . 1 . 2]" 1
644 1 27 LEU HB3 1 40 VAL QG 3.526 2.456 3.770 2.734 2.647 2.863 . 0 0 "[ . 1 . 2]" 1
645 1 27 LEU HB3 1 42 LEU QD 2.763 . 3.717 3.028 2.781 3.492 . 0 0 "[ . 1 . 2]" 1
646 1 27 LEU MD1 1 27 LEU MD2 1.847 . 2.273 2.079 2.072 2.089 . 0 0 "[ . 1 . 2]" 1
647 1 27 LEU QD 1 27 LEU HG 1.941 . 2.412 1.877 1.870 1.890 . 0 0 "[ . 1 . 2]" 1
648 1 27 LEU QD 1 28 THR H 3.151 . 4.392 3.027 2.536 3.262 . 0 0 "[ . 1 . 2]" 1
649 1 27 LEU QD 1 38 HIS HD2 3.421 . 4.884 8.050 7.290 8.432 3.548 1 20 [+*********-*********] 1
650 1 27 LEU QD 1 39 THR HA 3.298 . 4.658 5.320 4.827 5.478 0.820 5 17 "[*-**+***** ***.*** *]" 1
651 1 27 LEU QD 1 40 VAL H 3.284 . 4.632 4.379 4.130 4.760 0.128 3 0 "[ . 1 . 2]" 1
652 1 27 LEU QD 1 40 VAL HA 3.327 . 5.000 5.250 5.005 5.610 0.610 3 4 "[ *+ . 1 *. -2]" 1
653 1 27 LEU QD 1 40 VAL HB 2.538 . 5.000 2.898 2.587 3.297 . 0 0 "[ . 1 . 2]" 1
654 1 27 LEU QD 1 40 VAL QG 2.686 . 2.963 2.510 2.313 2.825 . 0 0 "[ . 1 . 2]" 1
655 1 27 LEU QD 1 60 LEU QD 2.428 . 5.000 2.951 2.716 3.251 . 0 0 "[ . 1 . 2]" 1
656 1 27 LEU QD 1 89 PHE QD 3.389 . 4.824 3.648 3.484 3.916 . 0 0 "[ . 1 . 2]" 1
657 1 27 LEU QD 1 89 PHE QE 2.491 . 3.266 2.737 2.439 3.235 . 0 0 "[ . 1 . 2]" 1
658 1 27 LEU QD 1 89 PHE HZ 2.465 . 3.224 3.433 2.915 3.858 0.634 3 2 "[ + - 1 . 2]" 1
659 1 27 LEU QD 1 91 PHE HZ 3.858 . 5.718 4.380 4.246 4.632 . 0 0 "[ . 1 . 2]" 1
660 1 27 LEU HG 1 40 VAL H 3.559 . 5.143 4.496 4.242 4.986 . 0 0 "[ . 1 . 2]" 1
661 1 28 THR H 1 28 THR HA 2.965 . 4.064 2.941 2.935 2.946 . 0 0 "[ . 1 . 2]" 1
662 1 28 THR H 1 28 THR HB 2.742 . 3.682 2.568 2.525 2.619 . 0 0 "[ . 1 . 2]" 1
663 1 28 THR H 1 28 THR MG 3.256 . 4.581 3.843 3.823 3.869 . 0 0 "[ . 1 . 2]" 1
664 1 28 THR H 1 39 THR MG 3.712 . 5.434 4.728 4.570 5.799 0.365 8 0 "[ . 1 . 2]" 1
665 1 28 THR HA 1 28 THR HB 2.322 . 2.996 3.031 3.028 3.035 0.039 14 0 "[ . 1 . 2]" 1
666 1 28 THR HA 1 28 THR MG 2.186 . 2.783 2.428 2.388 2.466 . 0 0 "[ . 1 . 2]" 1
667 1 28 THR HA 1 29 TRP H 2.387 . 3.099 2.156 2.138 2.179 . 0 0 "[ . 1 . 2]" 1
668 1 28 THR HA 1 39 THR H 3.538 . 5.102 4.712 4.634 4.786 . 0 0 "[ . 1 . 2]" 1
669 1 28 THR HA 1 39 THR HA 2.100 . 2.651 2.223 2.186 2.261 . 0 0 "[ . 1 . 2]" 1
670 1 28 THR HA 1 39 THR HB 3.067 . 5.000 4.965 4.678 5.037 0.037 14 0 "[ . 1 . 2]" 1
671 1 28 THR HA 1 39 THR MG 2.705 . 3.620 3.575 3.443 4.473 0.853 8 1 "[ . + 1 . 2]" 1
672 1 28 THR HA 1 40 VAL H 2.901 . 3.953 3.372 3.254 3.573 . 0 0 "[ . 1 . 2]" 1
673 1 28 THR HB 1 28 THR MG 1.933 . 2.400 2.143 2.139 2.146 . 0 0 "[ . 1 . 2]" 1
674 1 28 THR HB 1 29 TRP H 3.154 . 4.398 4.434 4.391 4.455 0.057 14 0 "[ . 1 . 2]" 1
675 1 28 THR HB 1 37 VAL QG 2.772 . 5.000 4.350 4.290 4.406 . 0 0 "[ . 1 . 2]" 1
676 1 28 THR HB 1 39 THR HA 2.788 . 5.000 4.906 4.836 4.985 . 0 0 "[ . 1 . 2]" 1
677 1 28 THR HB 1 39 THR MG 2.625 . 5.000 4.765 4.608 5.975 0.975 8 1 "[ . + 1 . 2]" 1
678 1 28 THR MG 1 29 TRP H 2.886 . 3.927 3.210 3.084 3.279 . 0 0 "[ . 1 . 2]" 1
679 1 28 THR MG 1 30 ARG QD 3.194 . 4.469 3.060 2.856 3.993 . 0 0 "[ . 1 . 2]" 1
680 1 28 THR MG 1 30 ARG QG 2.374 . 3.078 2.207 2.015 2.516 . 0 0 "[ . 1 . 2]" 1
681 1 28 THR MG 1 37 VAL HB 3.282 . 4.629 4.180 4.045 4.460 . 0 0 "[ . 1 . 2]" 1
682 1 28 THR MG 1 37 VAL QG 1.979 . 2.468 2.027 1.999 2.059 . 0 0 "[ . 1 . 2]" 1
683 1 28 THR MG 1 38 HIS H 3.438 . 4.916 3.502 3.333 3.746 . 0 0 "[ . 1 . 2]" 1
684 1 28 THR MG 1 39 THR HA 2.448 . 3.197 3.440 3.317 3.578 0.381 19 0 "[ . 1 . 2]" 1
685 1 28 THR MG 1 39 THR HB 3.068 . 4.245 4.720 4.180 4.870 0.625 14 10 "[*** .* -** +* *2]" 1
686 1 28 THR MG 1 40 VAL H 3.478 . 4.990 4.992 4.884 5.149 0.160 19 0 "[ . 1 . 2]" 1
687 1 29 TRP H 1 29 TRP HB2 2.869 . 3.898 2.825 2.772 2.882 . 0 0 "[ . 1 . 2]" 1
688 1 29 TRP H 1 29 TRP HB3 2.927 . 3.998 2.466 2.418 2.524 . 0 0 "[ . 1 . 2]" 1
689 1 29 TRP H 1 29 TRP HD1 3.805 . 5.615 5.241 5.180 5.287 . 0 0 "[ . 1 . 2]" 1
690 1 29 TRP H 1 29 TRP HE3 4.034 . 6.068 4.441 4.345 4.566 . 0 0 "[ . 1 . 2]" 1
691 1 29 TRP H 1 30 ARG H 3.625 . 5.267 4.502 4.419 4.524 . 0 0 "[ . 1 . 2]" 1
692 1 29 TRP H 1 38 HIS H 3.067 . 4.243 3.328 3.075 3.431 . 0 0 "[ . 1 . 2]" 1
693 1 29 TRP H 1 39 THR HA 2.931 . 4.005 3.441 3.385 3.498 . 0 0 "[ . 1 . 2]" 1
694 1 29 TRP HA 1 29 TRP HB2 2.634 . 3.501 2.446 2.422 2.470 . 0 0 "[ . 1 . 2]" 1
695 1 29 TRP HA 1 29 TRP HB3 2.846 . 3.859 3.034 3.026 3.040 . 0 0 "[ . 1 . 2]" 1
696 1 29 TRP HA 1 29 TRP HD1 2.888 . 3.930 3.261 3.195 3.324 . 0 0 "[ . 1 . 2]" 1
697 1 29 TRP HA 1 30 ARG H 2.254 . 2.889 2.142 2.118 2.156 . 0 0 "[ . 1 . 2]" 1
698 1 29 TRP HB2 1 29 TRP HD1 2.911 . 3.970 2.674 2.651 2.691 . 0 0 "[ . 1 . 2]" 1
699 1 29 TRP HB2 1 29 TRP HE3 3.406 . 4.856 4.151 4.133 4.180 . 0 0 "[ . 1 . 2]" 1
700 1 29 TRP HB2 1 30 ARG H 3.327 . 4.710 4.122 4.025 4.230 . 0 0 "[ . 1 . 2]" 1
701 1 29 TRP HB3 1 29 TRP HD1 3.070 . 4.248 3.815 3.796 3.829 . 0 0 "[ . 1 . 2]" 1
702 1 29 TRP HB3 1 29 TRP HE3 3.261 . 4.591 2.623 2.595 2.666 . 0 0 "[ . 1 . 2]" 1
703 1 29 TRP HB3 1 30 ARG H 3.533 . 5.093 4.160 4.029 4.279 . 0 0 "[ . 1 . 2]" 1
704 1 29 TRP HB3 1 38 HIS H 3.466 . 4.968 3.157 3.033 3.258 . 0 0 "[ . 1 . 2]" 1
705 1 29 TRP HB3 1 38 HIS HA 3.486 . 5.005 4.990 4.885 5.035 0.030 5 0 "[ . 1 . 2]" 1
706 1 29 TRP HB3 1 38 HIS HB2 3.346 . 4.746 2.335 2.231 2.413 . 0 0 "[ . 1 . 2]" 1
707 1 29 TRP HB3 1 38 HIS HB3 3.151 . 4.392 3.908 3.730 4.052 . 0 0 "[ . 1 . 2]" 1
708 1 29 TRP HD1 1 30 ARG H 3.384 . 4.815 3.949 3.778 4.198 . 0 0 "[ . 1 . 2]" 1
709 1 29 TRP HE1 1 30 ARG H 2.593 . 5.000 4.803 4.586 5.109 0.109 12 0 "[ . 1 . 2]" 1
710 1 29 TRP HE3 1 30 ARG HA 3.360 . 4.771 3.499 3.379 3.653 . 0 0 "[ . 1 . 2]" 1
711 1 29 TRP HE3 1 31 SER H 3.761 . 5.529 4.767 4.392 5.081 . 0 0 "[ . 1 . 2]" 1
712 1 29 TRP HE3 1 37 VAL HA 3.017 . 4.155 3.039 2.835 3.215 . 0 0 "[ . 1 . 2]" 1
713 1 29 TRP HE3 1 38 HIS H 2.795 . 3.772 2.561 2.414 2.727 . 0 0 "[ . 1 . 2]" 1
714 1 29 TRP HE3 1 38 HIS HA 3.347 . 4.747 4.599 4.369 4.767 0.020 5 0 "[ . 1 . 2]" 1
715 1 29 TRP HE3 1 38 HIS HB2 3.205 . 4.489 2.714 2.456 2.957 . 0 0 "[ . 1 . 2]" 1
716 1 29 TRP HE3 1 38 HIS HB3 3.133 . 4.360 4.345 4.136 4.572 0.212 5 0 "[ . 1 . 2]" 1
717 1 29 TRP HH2 1 31 SER H 3.457 . 4.950 4.546 4.154 4.813 . 0 0 "[ . 1 . 2]" 1
718 1 29 TRP HH2 1 31 SER HA 3.219 . 4.515 3.307 3.041 3.582 . 0 0 "[ . 1 . 2]" 1
719 1 29 TRP HH2 1 31 SER QB 2.996 . 4.118 3.024 2.513 3.369 . 0 0 "[ . 1 . 2]" 1
720 1 29 TRP HH2 1 36 LYS QB 3.163 . 4.162 2.865 2.563 3.172 . 0 0 "[ . 1 . 2]" 1
721 1 29 TRP HH2 1 36 LYS HD2 2.870 . 3.900 2.995 2.384 4.628 0.728 3 1 "[ + . 1 . 2]" 1
722 1 29 TRP HH2 1 36 LYS QG 3.828 . 5.279 4.457 3.828 4.781 . 0 0 "[ . 1 . 2]" 1
723 1 29 TRP HZ2 1 31 SER HA 3.072 . 4.252 3.128 2.912 3.329 . 0 0 "[ . 1 . 2]" 1
724 1 29 TRP HZ2 1 31 SER QB 3.446 . 4.931 4.143 3.675 4.478 . 0 0 "[ . 1 . 2]" 1
725 1 29 TRP HZ3 1 31 SER H 3.314 . 4.687 4.224 3.759 4.589 . 0 0 "[ . 1 . 2]" 1
726 1 29 TRP HZ3 1 31 SER HA 3.861 . 5.724 4.527 4.211 4.853 . 0 0 "[ . 1 . 2]" 1
727 1 29 TRP HZ3 1 31 SER QB 3.514 . 5.057 3.742 3.309 4.172 . 0 0 "[ . 1 . 2]" 1
728 1 29 TRP HZ3 1 36 LYS H 3.730 . 5.469 4.970 4.756 5.239 . 0 0 "[ . 1 . 2]" 1
729 1 29 TRP HZ3 1 36 LYS QB 2.795 . 3.772 2.224 2.039 2.579 . 0 0 "[ . 1 . 2]" 1
730 1 29 TRP HZ3 1 36 LYS HD2 2.879 . 3.915 3.758 3.333 4.333 0.418 4 0 "[ . 1 . 2]" 1
731 1 29 TRP HZ3 1 36 LYS QG 3.035 . 4.186 4.159 1.944 4.432 0.246 4 0 "[ . 1 . 2]" 1
732 1 29 TRP HZ3 1 37 VAL H 3.611 . 5.241 3.983 3.536 4.444 . 0 0 "[ . 1 . 2]" 1
733 1 29 TRP HZ3 1 37 VAL HA 3.402 . 4.848 3.819 3.598 4.027 . 0 0 "[ . 1 . 2]" 1
734 1 30 ARG H 1 30 ARG HA 2.881 . 3.918 2.938 2.915 2.943 . 0 0 "[ . 1 . 2]" 1
735 1 30 ARG H 1 30 ARG HB3 2.808 . 3.794 3.766 3.631 3.803 0.009 3 0 "[ . 1 . 2]" 1
736 1 30 ARG H 1 30 ARG QG 2.830 . 3.831 2.975 2.573 3.084 . 0 0 "[ . 1 . 2]" 1
737 1 30 ARG H 1 31 SER H 3.474 . 4.983 4.443 4.402 4.475 . 0 0 "[ . 1 . 2]" 1
738 1 30 ARG HA 1 30 ARG HB2 2.579 . 3.411 3.016 2.993 3.027 . 0 0 "[ . 1 . 2]" 1
739 1 30 ARG HA 1 30 ARG HB3 2.578 . 3.409 2.471 2.416 2.513 . 0 0 "[ . 1 . 2]" 1
740 1 30 ARG HA 1 30 ARG QD 3.250 . 4.570 4.130 3.971 4.240 . 0 0 "[ . 1 . 2]" 1
741 1 30 ARG HA 1 30 ARG QG 2.624 . 3.473 2.431 2.369 2.501 . 0 0 "[ . 1 . 2]" 1
742 1 30 ARG HA 1 31 SER H 2.232 . 2.855 2.337 2.236 2.457 . 0 0 "[ . 1 . 2]" 1
743 1 30 ARG HA 1 37 VAL HA 2.257 . 2.894 2.208 2.153 2.309 . 0 0 "[ . 1 . 2]" 1
744 1 30 ARG HA 1 37 VAL HB 2.964 . 4.062 3.613 3.255 4.791 0.729 16 4 "[ * .- 1 * .+ 2]" 1
745 1 30 ARG HA 1 37 VAL QG 2.479 . 3.247 3.040 2.393 3.291 0.044 14 0 "[ . 1 . 2]" 1
746 1 30 ARG HA 1 38 HIS H 3.060 . 4.231 3.565 3.499 3.756 . 0 0 "[ . 1 . 2]" 1
747 1 30 ARG HB2 1 30 ARG QD 2.700 . 3.611 2.537 2.322 2.933 . 0 0 "[ . 1 . 2]" 1
748 1 30 ARG HB2 1 30 ARG QG 2.059 . 5.000 2.324 2.278 2.368 . 0 0 "[ . 1 . 2]" 1
749 1 30 ARG HB2 1 31 SER H 2.837 . 3.843 3.762 3.540 3.940 0.097 14 0 "[ . 1 . 2]" 1
750 1 30 ARG HB2 1 34 GLY HA2 3.353 . 4.758 3.639 3.363 4.152 . 0 0 "[ . 1 . 2]" 1
751 1 30 ARG HB2 1 37 VAL HA 3.056 . 5.000 5.022 4.971 5.193 0.193 12 0 "[ . 1 . 2]" 1
752 1 30 ARG HB2 1 37 VAL QG 2.302 . 5.000 4.327 3.659 4.576 . 0 0 "[ . 1 . 2]" 1
753 1 30 ARG HB3 1 30 ARG QD 2.774 . 3.736 2.640 2.329 2.845 . 0 0 "[ . 1 . 2]" 1
754 1 30 ARG HB3 1 30 ARG QG 2.061 . 2.592 2.342 2.296 2.367 . 0 0 "[ . 1 . 2]" 1
755 1 30 ARG HB3 1 31 SER H 2.934 . 4.010 2.617 2.422 2.812 . 0 0 "[ . 1 . 2]" 1
756 1 30 ARG HB3 1 37 VAL HA 2.995 . 4.116 4.246 4.132 4.522 0.406 12 0 "[ . 1 . 2]" 1
757 1 30 ARG HB3 1 37 VAL QG 2.380 . 5.000 3.767 2.564 4.125 . 0 0 "[ . 1 . 2]" 1
758 1 30 ARG QD 1 30 ARG QG 2.288 . 2.822 2.005 1.985 2.069 0.015 20 0 "[ . 1 . 2]" 1
759 1 30 ARG QD 1 34 GLY HA2 3.432 . 4.904 4.017 3.570 4.319 . 0 0 "[ . 1 . 2]" 1
760 1 30 ARG QD 1 34 GLY HA3 3.316 . 4.514 3.838 3.088 4.159 . 0 0 "[ . 1 . 2]" 1
761 1 30 ARG QD 1 37 VAL HB 3.709 . 5.429 4.379 3.610 5.957 0.528 12 1 "[ . 1 + . 2]" 1
762 1 30 ARG QD 1 37 VAL QG 2.833 . 3.836 3.090 2.612 3.471 . 0 0 "[ . 1 . 2]" 1
763 1 30 ARG QG 1 31 SER H 3.080 . 4.266 3.915 3.844 4.007 . 0 0 "[ . 1 . 2]" 1
764 1 30 ARG QG 1 34 GLY HA2 3.431 . 4.310 3.921 3.705 4.291 . 0 0 "[ . 1 . 2]" 1
765 1 30 ARG QG 1 34 GLY HA3 3.250 . 4.570 4.502 4.025 4.939 0.369 16 0 "[ . 1 . 2]" 1
766 1 30 ARG QG 1 37 VAL HA 2.941 . 4.022 3.087 2.972 3.374 . 0 0 "[ . 1 . 2]" 1
767 1 30 ARG QG 1 37 VAL HB 2.929 . 4.001 2.801 2.240 4.287 0.286 12 0 "[ . 1 . 2]" 1
768 1 30 ARG QG 1 37 VAL QG 2.245 . 3.875 2.046 1.654 2.215 . 0 0 "[ . 1 . 2]" 1
769 1 31 SER H 1 31 SER HA 2.711 . 3.629 2.854 2.837 2.886 . 0 0 "[ . 1 . 2]" 1
770 1 31 SER H 1 31 SER QB 2.931 . 3.650 2.512 2.421 2.597 . 0 0 "[ . 1 . 2]" 1
771 1 31 SER H 1 31 SER HG 2.857 . 3.877 3.065 2.062 3.593 . 0 0 "[ . 1 . 2]" 1
772 1 31 SER H 1 32 THR H 3.290 . 4.643 4.658 4.625 4.675 0.032 4 0 "[ . 1 . 2]" 1
773 1 31 SER H 1 36 LYS H 2.951 . 4.040 3.017 2.903 3.187 . 0 0 "[ . 1 . 2]" 1
774 1 31 SER H 1 36 LYS QB 3.375 . 4.473 3.278 2.959 3.628 . 0 0 "[ . 1 . 2]" 1
775 1 31 SER H 1 37 VAL QG 3.244 . 4.559 4.254 3.134 4.583 0.024 20 0 "[ . 1 . 2]" 1
776 1 31 SER HA 1 31 SER QB 2.296 . 2.955 2.192 2.184 2.200 . 0 0 "[ . 1 . 2]" 1
777 1 31 SER HA 1 32 THR H 2.198 . 2.802 2.519 2.415 2.612 . 0 0 "[ . 1 . 2]" 1
778 1 31 SER HA 1 36 LYS QB 2.387 . 5.000 3.833 3.704 4.042 . 0 0 "[ . 1 . 2]" 1
779 1 31 SER QB 1 32 THR H 2.833 . 3.837 2.484 2.405 2.564 . 0 0 "[ . 1 . 2]" 1
780 1 31 SER QB 1 33 ASP H 3.201 . 4.482 3.199 3.008 3.274 . 0 0 "[ . 1 . 2]" 1
781 1 31 SER QB 1 34 GLY HA2 2.585 . 3.420 3.850 3.595 4.281 0.861 14 6 "[ . ***- +* 2]" 1
782 1 31 SER QB 1 34 GLY HA3 3.000 . 5.000 5.185 4.965 5.581 0.581 14 6 "[ . ***- +* 2]" 1
783 1 31 SER QB 1 36 LYS QB 3.025 . 3.648 1.810 1.619 2.240 0.262 10 0 "[ . 1 . 2]" 1
784 1 31 SER QB 1 36 LYS HD2 2.737 . 5.000 3.211 2.584 4.622 . 0 0 "[ . 1 . 2]" 1
785 1 31 SER QB 1 36 LYS QD 3.150 . 4.390 3.105 2.548 3.700 . 0 0 "[ . 1 . 2]" 1
786 1 31 SER QB 1 36 LYS QG 3.427 . 4.895 3.228 2.151 3.878 . 0 0 "[ . 1 . 2]" 1
787 1 31 SER HG 1 32 THR H 3.892 . 5.786 4.284 3.318 4.662 . 0 0 "[ . 1 . 2]" 1
788 1 31 SER HG 1 33 ASP H 3.247 . 4.565 3.461 2.166 4.075 . 0 0 "[ . 1 . 2]" 1
789 1 31 SER HG 1 35 ASP H 2.810 . 3.797 2.014 1.659 2.673 0.164 16 0 "[ . 1 . 2]" 1
790 1 31 SER HG 1 36 LYS H 2.729 . 3.660 1.883 1.285 3.062 0.513 15 1 "[ . 1 + 2]" 1
791 1 32 THR H 1 32 THR HA 2.542 . 3.350 2.787 2.769 2.807 . 0 0 "[ . 1 . 2]" 1
792 1 32 THR H 1 32 THR MG 3.027 . 4.172 3.261 2.401 3.822 . 0 0 "[ . 1 . 2]" 1
793 1 32 THR H 1 33 ASP H 2.865 . 3.891 2.827 2.786 2.864 . 0 0 "[ . 1 . 2]" 1
794 1 32 THR HA 1 32 THR HB 2.174 . 2.765 2.830 2.549 3.020 0.255 18 0 "[ . 1 . 2]" 1
795 1 32 THR HA 1 32 THR MG 2.027 . 2.540 2.307 2.141 2.474 . 0 0 "[ . 1 . 2]" 1
796 1 32 THR HA 1 33 ASP H 3.045 . 4.204 3.502 3.466 3.525 . 0 0 "[ . 1 . 2]" 1
797 1 32 THR HB 1 32 THR MG 1.865 . 2.300 2.135 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
798 1 32 THR HB 1 33 ASP H 2.528 . 5.000 3.272 2.864 3.886 . 0 0 "[ . 1 . 2]" 1
799 1 32 THR MG 1 33 ASP H 3.102 . 4.305 3.938 3.491 4.315 0.010 3 0 "[ . 1 . 2]" 1
800 1 33 ASP H 1 33 ASP HA 2.567 . 3.390 2.935 2.930 2.942 . 0 0 "[ . 1 . 2]" 1
801 1 33 ASP H 1 33 ASP HB2 2.674 . 3.568 2.509 2.458 2.586 . 0 0 "[ . 1 . 2]" 1
802 1 33 ASP H 1 33 ASP HB3 2.617 . 5.000 3.681 3.664 3.711 . 0 0 "[ . 1 . 2]" 1
803 1 33 ASP H 1 34 GLY H 2.451 . 3.202 2.103 2.071 2.176 . 0 0 "[ . 1 . 2]" 1
804 1 33 ASP HA 1 33 ASP HB3 2.001 . 2.501 2.483 2.443 2.518 0.017 11 0 "[ . 1 . 2]" 1
805 1 33 ASP HA 1 34 GLY H 2.780 . 3.746 3.487 3.471 3.502 . 0 0 "[ . 1 . 2]" 1
806 1 33 ASP HB2 1 34 GLY H 3.304 . 4.669 2.871 2.804 2.973 . 0 0 "[ . 1 . 2]" 1
807 1 33 ASP HB3 1 34 GLY H 3.311 . 4.681 3.872 3.801 3.943 . 0 0 "[ . 1 . 2]" 1
808 1 34 GLY H 1 34 GLY HA2 2.475 . 3.241 2.362 2.344 2.385 . 0 0 "[ . 1 . 2]" 1
809 1 34 GLY H 1 34 GLY HA3 2.408 . 3.133 2.943 2.934 2.954 . 0 0 "[ . 1 . 2]" 1
810 1 34 GLY H 1 35 ASP H 2.513 . 3.303 2.227 2.168 2.303 . 0 0 "[ . 1 . 2]" 1
811 1 34 GLY H 1 35 ASP HA 3.571 . 5.165 4.925 4.871 5.006 . 0 0 "[ . 1 . 2]" 1
812 1 34 GLY H 1 36 LYS H 3.111 . 4.320 3.635 3.488 3.734 . 0 0 "[ . 1 . 2]" 1
813 1 34 GLY HA2 1 35 ASP H 2.807 . 3.792 3.110 3.091 3.136 . 0 0 "[ . 1 . 2]" 1
814 1 34 GLY HA2 1 36 LYS H 3.163 . 4.414 3.496 3.370 3.588 . 0 0 "[ . 1 . 2]" 1
815 1 34 GLY HA3 1 35 ASP H 2.903 . 3.956 3.443 3.426 3.460 . 0 0 "[ . 1 . 2]" 1
816 1 34 GLY HA3 1 37 VAL QG 3.770 . 5.547 4.940 3.578 5.309 . 0 0 "[ . 1 . 2]" 1
817 1 35 ASP H 1 35 ASP HA 2.452 . 3.204 2.850 2.827 2.887 . 0 0 "[ . 1 . 2]" 1
818 1 35 ASP H 1 35 ASP HB2 2.597 . 3.440 3.399 2.266 3.627 0.187 11 0 "[ . 1 . 2]" 1
819 1 35 ASP H 1 35 ASP HB3 2.554 . 3.369 2.742 2.442 3.571 0.202 3 0 "[ . 1 . 2]" 1
820 1 35 ASP H 1 36 LYS H 2.480 . 3.249 2.515 2.370 2.585 . 0 0 "[ . 1 . 2]" 1
821 1 35 ASP HA 1 35 ASP HB2 2.219 . 5.000 2.540 2.400 3.022 . 0 0 "[ . 1 . 2]" 1
822 1 35 ASP HA 1 35 ASP HB3 2.188 . 2.787 2.476 2.425 2.612 . 0 0 "[ . 1 . 2]" 1
823 1 35 ASP HA 1 36 LYS H 2.713 . 3.633 3.496 3.469 3.513 . 0 0 "[ . 1 . 2]" 1
824 1 35 ASP HB2 1 36 LYS H 3.331 . 4.718 3.765 2.937 4.045 . 0 0 "[ . 1 . 2]" 1
825 1 35 ASP HB3 1 36 LYS H 3.185 . 4.453 3.982 3.650 4.132 . 0 0 "[ . 1 . 2]" 1
826 1 36 LYS H 1 36 LYS HA 2.536 . 3.340 2.946 2.938 2.950 . 0 0 "[ . 1 . 2]" 1
827 1 36 LYS H 1 36 LYS QB 2.791 . 3.435 2.453 2.356 2.836 . 0 0 "[ . 1 . 2]" 1
828 1 36 LYS H 1 36 LYS QG 3.059 . 4.667 2.869 2.335 4.069 . 0 0 "[ . 1 . 2]" 1
829 1 36 LYS H 1 37 VAL H 3.085 . 5.000 4.491 4.412 4.520 . 0 0 "[ . 1 . 2]" 1
830 1 36 LYS HA 1 36 LYS QB 2.443 . 3.189 2.394 2.232 2.435 . 0 0 "[ . 1 . 2]" 1
831 1 36 LYS HA 1 36 LYS HD2 2.557 . 5.000 4.528 4.208 4.846 . 0 0 "[ . 1 . 2]" 1
832 1 36 LYS HA 1 36 LYS HE2 3.877 . 5.756 5.890 4.191 6.164 0.408 16 0 "[ . 1 . 2]" 1
833 1 36 LYS HA 1 36 LYS QG 2.661 . 3.483 2.437 2.373 2.714 . 0 0 "[ . 1 . 2]" 1
834 1 36 LYS HA 1 37 VAL H 2.014 . 2.521 2.237 2.170 2.257 . 0 0 "[ . 1 . 2]" 1
835 1 36 LYS QB 1 36 LYS HD2 . . 2.057 2.213 2.082 2.537 0.480 6 0 "[ . 1 . 2]" 1
836 1 36 LYS QB 1 36 LYS HE2 2.788 . 3.760 3.988 2.542 4.215 0.455 6 0 "[ . 1 . 2]" 1
837 1 36 LYS QB 1 36 LYS HE3 3.636 . 5.214 3.921 2.790 4.131 . 0 0 "[ . 1 . 2]" 1
838 1 36 LYS QB 1 37 VAL H 2.965 . 4.064 3.004 2.849 3.722 . 0 0 "[ . 1 . 2]" 1
839 1 36 LYS HD2 1 36 LYS HE2 2.227 . 2.847 2.547 2.287 3.009 0.162 4 0 "[ . 1 . 2]" 1
840 1 36 LYS HD2 1 36 LYS QG 2.231 . 2.853 2.429 2.298 2.518 . 0 0 "[ . 1 . 2]" 1
841 1 36 LYS HE2 1 36 LYS QG 2.909 . 3.817 3.108 2.179 3.311 . 0 0 "[ . 1 . 2]" 1
842 1 36 LYS HE3 1 36 LYS QG 2.807 . 3.792 2.491 2.212 3.299 . 0 0 "[ . 1 . 2]" 1
843 1 36 LYS QG 1 37 VAL H 3.188 . 3.389 3.971 2.782 4.470 1.081 6 19 "[** **+**-***********]" 1
844 1 37 VAL H 1 37 VAL HA 2.773 . 3.734 2.909 2.898 2.927 . 0 0 "[ . 1 . 2]" 1
845 1 37 VAL H 1 37 VAL HB 2.551 . 3.364 3.323 2.901 3.482 0.118 14 0 "[ . 1 . 2]" 1
846 1 37 VAL H 1 37 VAL QG 2.510 . 5.000 2.542 2.385 2.932 . 0 0 "[ . 1 . 2]" 1
847 1 37 VAL H 1 38 HIS H 3.303 . 4.667 4.247 4.166 4.312 . 0 0 "[ . 1 . 2]" 1
848 1 37 VAL HA 1 37 VAL HB 2.429 . 3.167 2.533 2.381 3.034 . 0 0 "[ . 1 . 2]" 1
849 1 37 VAL HA 1 37 VAL QG 2.240 . 2.867 2.276 2.199 2.327 . 0 0 "[ . 1 . 2]" 1
850 1 37 VAL HA 1 38 HIS H 2.346 . 3.034 2.160 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
851 1 37 VAL HA 1 38 HIS HA 3.378 . 4.805 4.447 4.431 4.472 . 0 0 "[ . 1 . 2]" 1
852 1 37 VAL HA 1 38 HIS HB2 3.514 . 5.057 4.489 4.409 4.555 . 0 0 "[ . 1 . 2]" 1
853 1 37 VAL HA 1 38 HIS HB3 3.758 . 5.523 5.692 5.673 5.709 0.186 16 0 "[ . 1 . 2]" 1
854 1 37 VAL HB 1 37 VAL QG 1.864 . 3.299 1.886 1.884 1.888 . 0 0 "[ . 1 . 2]" 1
855 1 37 VAL HB 1 38 HIS H 3.164 . 4.415 4.131 4.031 4.262 . 0 0 "[ . 1 . 2]" 1
856 1 37 VAL QG 1 38 HIS H 2.670 . 3.561 2.515 2.358 2.821 . 0 0 "[ . 1 . 2]" 1
857 1 37 VAL QG 1 38 HIS HA 2.981 . 4.092 3.510 3.362 3.721 . 0 0 "[ . 1 . 2]" 1
858 1 37 VAL QG 1 39 THR HA 3.635 . 5.287 4.459 4.322 4.585 . 0 0 "[ . 1 . 2]" 1
859 1 38 HIS H 1 38 HIS HA 2.890 . 3.934 2.950 2.941 2.955 . 0 0 "[ . 1 . 2]" 1
860 1 38 HIS H 1 38 HIS HB2 2.901 . 3.953 2.633 2.527 2.714 . 0 0 "[ . 1 . 2]" 1
861 1 38 HIS H 1 38 HIS HB3 2.745 . 3.687 3.774 3.710 3.821 0.134 13 0 "[ . 1 . 2]" 1
862 1 38 HIS H 1 39 THR H 3.528 . 5.084 4.459 4.423 4.502 . 0 0 "[ . 1 . 2]" 1
863 1 38 HIS HA 1 38 HIS HB2 2.513 . 3.302 3.032 3.025 3.036 . 0 0 "[ . 1 . 2]" 1
864 1 38 HIS HA 1 38 HIS HB3 2.354 . 3.047 2.525 2.494 2.563 . 0 0 "[ . 1 . 2]" 1
865 1 38 HIS HA 1 38 HIS HD2 3.468 . 4.972 4.316 4.083 4.554 . 0 0 "[ . 1 . 2]" 1
866 1 38 HIS HA 1 39 THR H 2.185 . 2.782 2.321 2.306 2.341 . 0 0 "[ . 1 . 2]" 1
867 1 38 HIS HA 1 39 THR HA 2.364 . 5.000 4.442 4.430 4.451 . 0 0 "[ . 1 . 2]" 1
868 1 38 HIS HB2 1 38 HIS HD2 3.517 . 5.064 2.778 2.698 2.844 . 0 0 "[ . 1 . 2]" 1
869 1 38 HIS HB2 1 39 THR H 3.322 . 4.702 3.985 3.915 4.069 . 0 0 "[ . 1 . 2]" 1
870 1 38 HIS HB3 1 38 HIS HD2 3.300 . 4.661 3.860 3.722 3.923 . 0 0 "[ . 1 . 2]" 1
871 1 38 HIS HB3 1 39 THR H 3.148 . 4.386 2.857 2.787 2.909 . 0 0 "[ . 1 . 2]" 1
872 1 38 HIS HD2 1 40 VAL QG 2.596 . 3.438 6.730 6.505 6.954 3.516 1 20 [+*****-*************] 1
873 1 38 HIS HD2 1 89 PHE HZ 5.100 . 8.352 6.543 5.959 7.346 . 0 0 "[ . 1 . 2]" 1
874 1 39 THR H 1 39 THR HA 2.749 . 3.694 2.947 2.945 2.949 . 0 0 "[ . 1 . 2]" 1
875 1 39 THR H 1 39 THR HB 2.486 . 3.258 2.714 2.576 2.767 . 0 0 "[ . 1 . 2]" 1
876 1 39 THR H 1 39 THR MG 2.980 . 4.090 3.881 3.357 3.941 . 0 0 "[ . 1 . 2]" 1
877 1 39 THR H 1 40 VAL H 3.676 . 5.365 4.345 4.295 4.425 . 0 0 "[ . 1 . 2]" 1
878 1 39 THR HA 1 39 THR HB 2.486 . 3.258 3.020 2.892 3.029 . 0 0 "[ . 1 . 2]" 1
879 1 39 THR HA 1 39 THR MG 2.355 . 3.048 2.475 2.419 2.896 . 0 0 "[ . 1 . 2]" 1
880 1 39 THR HA 1 40 VAL H 2.346 . 3.034 2.152 2.124 2.205 . 0 0 "[ . 1 . 2]" 1
881 1 39 THR HA 1 40 VAL QG 3.322 . 4.701 3.535 3.277 3.684 . 0 0 "[ . 1 . 2]" 1
882 1 39 THR HB 1 39 THR MG 2.004 . 2.506 2.140 2.137 2.142 . 0 0 "[ . 1 . 2]" 1
883 1 39 THR HB 1 40 VAL H 3.646 . 5.308 4.196 3.975 4.507 . 0 0 "[ . 1 . 2]" 1
884 1 39 THR MG 1 40 VAL H 2.688 . 3.591 2.655 2.343 3.042 . 0 0 "[ . 1 . 2]" 1
885 1 39 THR MG 1 41 VAL HB 2.413 . 5.000 4.755 4.481 4.923 . 0 0 "[ . 1 . 2]" 1
886 1 40 VAL H 1 40 VAL HA 2.935 . 4.011 2.955 2.952 2.958 . 0 0 "[ . 1 . 2]" 1
887 1 40 VAL H 1 40 VAL HB 2.825 . 3.823 2.583 2.442 2.775 . 0 0 "[ . 1 . 2]" 1
888 1 40 VAL H 1 40 VAL QG 3.227 . 3.955 2.605 2.233 2.828 . 0 0 "[ . 1 . 2]" 1
889 1 40 VAL H 1 41 VAL H 3.420 . 4.882 4.142 4.008 4.198 . 0 0 "[ . 1 . 2]" 1
890 1 40 VAL HA 1 40 VAL HB 2.780 . 3.746 3.028 3.018 3.034 . 0 0 "[ . 1 . 2]" 1
891 1 40 VAL HA 1 40 VAL QG 2.161 . 2.938 2.204 2.190 2.226 . 0 0 "[ . 1 . 2]" 1
892 1 40 VAL HA 1 41 VAL H 2.209 . 2.819 2.241 2.233 2.252 . 0 0 "[ . 1 . 2]" 1
893 1 40 VAL HA 1 41 VAL QG 2.858 . 3.879 3.875 3.837 3.945 0.066 14 0 "[ . 1 . 2]" 1
894 1 40 VAL HA 1 87 HIS HE1 3.852 . 5.706 5.933 5.320 6.437 0.731 20 6 "[- .* ** * . +]" 1
895 1 40 VAL HB 1 40 VAL QG 2.141 . 2.714 1.882 1.877 1.889 . 0 0 "[ . 1 . 2]" 1
896 1 40 VAL HB 1 41 VAL H 3.426 . 4.893 4.449 4.343 4.503 . 0 0 "[ . 1 . 2]" 1
897 1 40 VAL HB 1 42 LEU QD 2.867 . 5.000 3.405 3.250 3.632 . 0 0 "[ . 1 . 2]" 1
898 1 40 VAL MG1 1 40 VAL MG2 1.930 . 2.396 2.065 2.052 2.070 . 0 0 "[ . 1 . 2]" 1
899 1 40 VAL QG 1 41 VAL H 2.769 . 3.727 3.218 3.184 3.240 . 0 0 "[ . 1 . 2]" 1
900 1 40 VAL QG 1 42 LEU HA 2.346 . 3.034 3.363 3.267 3.698 0.664 13 1 "[ . 1 + . 2]" 1
901 1 40 VAL QG 1 42 LEU QD 2.182 . 2.777 2.337 2.149 2.727 . 0 0 "[ . 1 . 2]" 1
902 1 40 VAL QG 1 42 LEU HG 2.271 . 5.000 4.788 3.731 5.285 0.285 13 0 "[ . 1 . 2]" 1
903 1 40 VAL QG 1 45 ILE H 3.581 . 5.184 5.049 4.897 5.208 0.024 13 0 "[ . 1 . 2]" 1
904 1 40 VAL QG 1 45 ILE HA 3.590 . 5.201 4.807 4.760 4.851 . 0 0 "[ . 1 . 2]" 1
905 1 40 VAL QG 1 45 ILE HB 3.203 . 4.485 4.060 3.966 4.227 . 0 0 "[ . 1 . 2]" 1
906 1 40 VAL QG 1 45 ILE MD 2.097 . 2.647 2.035 1.959 2.160 . 0 0 "[ . 1 . 2]" 1
907 1 40 VAL QG 1 45 ILE HG12 3.037 . 4.190 2.815 2.700 2.892 . 0 0 "[ . 1 . 2]" 1
908 1 40 VAL QG 1 45 ILE HG13 3.240 . 4.552 2.122 2.071 2.203 . 0 0 "[ . 1 . 2]" 1
909 1 40 VAL QG 1 45 ILE MG 2.240 . 5.000 3.445 3.369 3.547 . 0 0 "[ . 1 . 2]" 1
910 1 40 VAL QG 1 62 LEU QD 2.748 . 3.155 2.296 1.606 2.813 0.198 13 0 "[ . 1 . 2]" 1
911 1 40 VAL QG 1 87 HIS HA 3.580 . 5.182 5.048 4.932 5.213 0.031 19 0 "[ . 1 . 2]" 1
912 1 40 VAL QG 1 87 HIS QB 3.021 . 4.162 2.873 2.735 3.108 . 0 0 "[ . 1 . 2]" 1
913 1 40 VAL QG 1 87 HIS HD2 2.917 . 5.000 3.019 2.538 3.459 . 0 0 "[ . 1 . 2]" 1
914 1 40 VAL QG 1 87 HIS HE1 3.048 . 4.209 4.262 3.934 4.564 0.355 13 0 "[ . 1 . 2]" 1
915 1 40 VAL QG 1 89 PHE QE 2.851 . 3.867 2.766 2.515 2.854 . 0 0 "[ . 1 . 2]" 1
916 1 40 VAL QG 1 89 PHE HZ 2.661 . 3.546 2.608 2.348 2.797 . 0 0 "[ . 1 . 2]" 1
917 1 40 VAL QG 1 104 LEU QD 3.694 . 5.400 3.485 3.306 3.763 . 0 0 "[ . 1 . 2]" 1
918 1 41 VAL H 1 41 VAL HA 2.681 . 3.579 2.891 2.883 2.901 . 0 0 "[ . 1 . 2]" 1
919 1 41 VAL H 1 41 VAL HB 2.450 . 3.200 2.526 2.472 2.556 . 0 0 "[ . 1 . 2]" 1
920 1 41 VAL H 1 41 VAL QG 2.428 . 3.165 2.286 2.245 2.353 . 0 0 "[ . 1 . 2]" 1
921 1 41 VAL H 1 42 LEU H 3.151 . 4.392 4.503 4.482 4.521 0.129 17 0 "[ . 1 . 2]" 1
922 1 41 VAL H 1 44 THR MG 3.250 . 4.570 4.585 4.265 5.516 0.946 15 3 "[ * -1 + 2]" 1
923 1 41 VAL HA 1 41 VAL HB 2.545 . 3.355 3.053 3.047 3.057 . 0 0 "[ . 1 . 2]" 1
924 1 41 VAL HA 1 41 VAL QG 2.171 . 2.760 2.153 2.147 2.165 . 0 0 "[ . 1 . 2]" 1
925 1 41 VAL HA 1 42 LEU H 2.466 . 3.226 2.205 2.191 2.215 . 0 0 "[ . 1 . 2]" 1
926 1 41 VAL HB 1 41 VAL QG 1.903 . 2.356 1.905 1.900 1.907 . 0 0 "[ . 1 . 2]" 1
927 1 41 VAL HB 1 42 LEU H 3.488 . 5.009 4.277 4.236 4.342 . 0 0 "[ . 1 . 2]" 1
928 1 41 VAL HB 1 43 SER H 3.418 . 4.879 4.363 4.273 4.444 . 0 0 "[ . 1 . 2]" 1
929 1 41 VAL HB 1 44 THR HB 3.148 . 4.387 4.692 4.573 5.228 0.841 9 3 "[ * +1 - 2]" 1
930 1 41 VAL HB 1 44 THR MG 2.476 . 3.243 2.775 2.434 3.706 0.463 5 0 "[ . 1 . 2]" 1
931 1 41 VAL QG 1 42 LEU H 2.888 . 3.931 2.789 2.742 2.873 . 0 0 "[ . 1 . 2]" 1
932 1 41 VAL QG 1 43 SER H 2.393 . 3.109 2.198 2.153 2.255 . 0 0 "[ . 1 . 2]" 1
933 1 41 VAL QG 1 43 SER HB2 3.545 . 5.116 4.037 3.932 4.135 . 0 0 "[ . 1 . 2]" 1
934 1 41 VAL QG 1 43 SER HB3 3.344 . 4.742 3.396 3.243 3.584 . 0 0 "[ . 1 . 2]" 1
935 1 41 VAL QG 1 44 THR H 2.986 . 4.101 2.916 2.754 3.025 . 0 0 "[ . 1 . 2]" 1
936 1 41 VAL QG 1 44 THR MG 2.085 . 2.628 2.498 2.243 3.151 0.523 15 2 "[ - 1 + 2]" 1
937 1 42 LEU H 1 42 LEU HA 2.708 . 3.625 2.856 2.847 2.873 . 0 0 "[ . 1 . 2]" 1
938 1 42 LEU H 1 42 LEU HB2 2.714 . 3.634 2.418 2.381 2.512 . 0 0 "[ . 1 . 2]" 1
939 1 42 LEU H 1 42 LEU HB3 3.067 . 4.243 3.629 3.614 3.666 . 0 0 "[ . 1 . 2]" 1
940 1 42 LEU H 1 42 LEU QD 2.918 . 3.982 2.326 2.095 3.272 . 0 0 "[ . 1 . 2]" 1
941 1 42 LEU H 1 42 LEU HG 2.694 . 5.000 3.973 2.717 4.293 . 0 0 "[ . 1 . 2]" 1
942 1 42 LEU H 1 43 SER H 2.937 . 4.015 2.613 2.561 2.658 . 0 0 "[ . 1 . 2]" 1
943 1 42 LEU H 1 44 THR H 3.794 . 5.593 4.086 3.999 4.251 . 0 0 "[ . 1 . 2]" 1
944 1 42 LEU H 1 107 ILE MG 3.418 . 4.879 3.796 3.736 3.890 . 0 0 "[ . 1 . 2]" 1
945 1 42 LEU HA 1 42 LEU HB2 2.679 . 3.576 3.006 2.995 3.020 . 0 0 "[ . 1 . 2]" 1
946 1 42 LEU HA 1 42 LEU HB3 2.846 . 3.859 2.569 2.515 2.600 . 0 0 "[ . 1 . 2]" 1
947 1 42 LEU HA 1 42 LEU QD . . 2.772 2.000 1.897 2.064 . 0 0 "[ . 1 . 2]" 1
948 1 42 LEU HA 1 42 LEU HG 2.533 . 5.000 3.657 3.195 3.748 . 0 0 "[ . 1 . 2]" 1
949 1 42 LEU HA 1 44 THR MG 3.328 . 4.713 5.225 4.968 5.832 1.119 5 3 "[ + -1 * 2]" 1
950 1 42 LEU HA 1 45 ILE HB 3.009 . 4.141 2.207 2.066 2.311 . 0 0 "[ . 1 . 2]" 1
951 1 42 LEU HA 1 45 ILE MD 2.807 . 3.792 3.863 3.792 4.002 0.210 18 0 "[ . 1 . 2]" 1
952 1 42 LEU HA 1 45 ILE HG13 2.973 . 4.078 2.561 2.416 2.706 . 0 0 "[ . 1 . 2]" 1
953 1 42 LEU HA 1 45 ILE MG 2.792 . 3.766 3.584 3.450 3.674 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HA 1 62 LEU QD 3.072 . 4.252 4.750 4.268 5.323 1.071 5 11 "[****+ * * ** *- 2]" 1
955 1 42 LEU HA 1 107 ILE MG 2.965 . 5.000 4.381 4.316 4.508 . 0 0 "[ . 1 . 2]" 1
956 1 42 LEU HB2 1 42 LEU QD 2.266 . 3.107 2.295 2.192 2.600 . 0 0 "[ . 1 . 2]" 1
957 1 42 LEU HB2 1 42 LEU HG 2.764 . 3.719 2.491 2.228 2.632 . 0 0 "[ . 1 . 2]" 1
958 1 42 LEU HB2 1 43 SER H 2.724 . 3.651 3.198 3.124 3.259 . 0 0 "[ . 1 . 2]" 1
959 1 42 LEU HB2 1 44 THR H 3.452 . 4.941 4.888 4.811 5.048 0.107 15 0 "[ . 1 . 2]" 1
960 1 42 LEU HB2 1 107 ILE MG 2.870 . 3.900 2.010 1.954 2.095 . 0 0 "[ . 1 . 2]" 1
961 1 42 LEU HB2 1 108 ILE MG 3.537 . 5.101 5.558 5.341 5.671 0.570 13 6 "[* - *1 + . **]" 1
962 1 42 LEU HB2 1 111 TYR QE 3.441 . 4.921 2.991 2.513 3.263 . 0 0 "[ . 1 . 2]" 1
963 1 42 LEU HB3 1 42 LEU QD 2.359 . 3.055 2.356 2.088 2.539 . 0 0 "[ . 1 . 2]" 1
964 1 42 LEU HB3 1 42 LEU HG 2.880 . 3.917 2.452 2.276 3.022 . 0 0 "[ . 1 . 2]" 1
965 1 42 LEU HB3 1 43 SER H 3.676 . 5.365 3.859 3.803 3.992 . 0 0 "[ . 1 . 2]" 1
966 1 42 LEU HB3 1 108 ILE MG 2.956 . 4.048 4.183 3.975 4.299 0.251 13 0 "[ . 1 . 2]" 1
967 1 42 LEU HB3 1 111 TYR QE 3.604 . 5.228 3.796 3.350 4.183 . 0 0 "[ . 1 . 2]" 1
968 1 42 LEU QD 1 43 SER H 3.593 . 5.207 4.034 3.910 4.401 . 0 0 "[ . 1 . 2]" 1
969 1 42 LEU QD 1 45 ILE H 3.271 . 4.609 4.133 4.032 4.258 . 0 0 "[ . 1 . 2]" 1
970 1 42 LEU QD 1 45 ILE HB 2.939 . 4.019 2.428 2.256 2.681 . 0 0 "[ . 1 . 2]" 1
971 1 42 LEU QD 1 45 ILE HG13 2.478 . 3.246 2.120 2.058 2.214 . 0 0 "[ . 1 . 2]" 1
972 1 42 LEU QD 1 45 ILE MG 2.192 . 2.793 2.395 2.218 2.682 . 0 0 "[ . 1 . 2]" 1
973 1 42 LEU QD 1 104 LEU QD 1.889 . 2.335 1.736 1.622 1.864 . 0 0 "[ . 1 . 2]" 1
974 1 42 LEU QD 1 111 TYR QE 3.511 . 5.052 4.229 3.953 4.467 . 0 0 "[ . 1 . 2]" 1
975 1 43 SER H 1 43 SER HA 2.570 . 3.396 2.854 2.844 2.861 . 0 0 "[ . 1 . 2]" 1
976 1 43 SER H 1 43 SER HB2 2.943 . 4.025 3.616 3.607 3.624 . 0 0 "[ . 1 . 2]" 1
977 1 43 SER H 1 43 SER HB3 2.812 . 3.801 2.515 2.455 2.612 . 0 0 "[ . 1 . 2]" 1
978 1 43 SER H 1 44 THR H 2.608 . 3.458 2.600 2.568 2.643 . 0 0 "[ . 1 . 2]" 1
979 1 43 SER H 1 44 THR MG 3.161 . 4.410 3.889 3.686 4.346 . 0 0 "[ . 1 . 2]" 1
980 1 43 SER H 1 45 ILE H 2.977 . 4.085 4.024 3.944 4.068 . 0 0 "[ . 1 . 2]" 1
981 1 43 SER H 1 111 TYR QE 3.671 . 5.355 3.751 3.294 4.007 . 0 0 "[ . 1 . 2]" 1
982 1 43 SER HA 1 43 SER HB2 2.338 . 3.022 2.431 2.414 2.470 . 0 0 "[ . 1 . 2]" 1
983 1 43 SER HA 1 43 SER HB3 2.448 . 3.197 2.495 2.454 2.521 . 0 0 "[ . 1 . 2]" 1
984 1 43 SER HA 1 44 THR H 2.846 . 3.859 3.298 3.273 3.383 . 0 0 "[ . 1 . 2]" 1
985 1 43 SER HA 1 45 ILE H 2.845 . 3.857 3.680 3.616 3.831 . 0 0 "[ . 1 . 2]" 1
986 1 43 SER HA 1 108 ILE MG 2.473 . 5.000 4.601 4.376 4.746 . 0 0 "[ . 1 . 2]" 1
987 1 43 SER HA 1 111 TYR H 3.708 . 5.427 4.977 4.838 5.081 . 0 0 "[ . 1 . 2]" 1
988 1 43 SER HA 1 111 TYR HA 3.389 . 4.825 4.923 4.877 4.964 0.139 15 0 "[ . 1 . 2]" 1
989 1 43 SER HA 1 111 TYR QB 2.925 . 3.994 2.507 2.463 2.631 . 0 0 "[ . 1 . 2]" 1
990 1 43 SER HA 1 111 TYR QD 2.764 . 3.719 2.922 2.472 3.044 . 0 0 "[ . 1 . 2]" 1
991 1 43 SER HA 1 111 TYR QE 3.342 . 4.738 3.966 3.653 4.091 . 0 0 "[ . 1 . 2]" 1
992 1 43 SER HB2 1 111 TYR HA 3.507 . 5.044 5.203 5.119 5.315 0.271 4 0 "[ . 1 . 2]" 1
993 1 43 SER HB2 1 111 TYR QD 3.430 . 4.900 3.091 2.874 3.486 . 0 0 "[ . 1 . 2]" 1
994 1 43 SER HB2 1 111 TYR QE 3.904 . 5.809 3.634 3.373 4.013 . 0 0 "[ . 1 . 2]" 1
995 1 43 SER HB3 1 111 TYR QD 3.733 . 5.475 3.235 3.060 3.419 . 0 0 "[ . 1 . 2]" 1
996 1 43 SER HB3 1 111 TYR QE 3.896 . 5.794 2.926 2.788 3.107 . 0 0 "[ . 1 . 2]" 1
997 1 44 THR H 1 44 THR HA 2.776 . 3.739 2.947 2.938 2.950 . 0 0 "[ . 1 . 2]" 1
998 1 44 THR H 1 44 THR HB 3.197 . 4.474 3.777 3.767 3.788 . 0 0 "[ . 1 . 2]" 1
999 1 44 THR H 1 44 THR HG1 2.982 . 4.094 2.920 1.975 3.720 . 0 0 "[ . 1 . 2]" 1
1000 1 44 THR H 1 44 THR MG 2.470 . 3.232 2.646 2.509 2.874 . 0 0 "[ . 1 . 2]" 1
1001 1 44 THR H 1 45 ILE H 2.594 . 3.435 2.107 2.001 2.274 . 0 0 "[ . 1 . 2]" 1
1002 1 44 THR HA 1 44 THR HB 2.159 . 2.742 2.431 2.387 2.478 . 0 0 "[ . 1 . 2]" 1
1003 1 44 THR HA 1 44 THR MG 2.215 . 3.828 2.448 2.389 2.504 . 0 0 "[ . 1 . 2]" 1
1004 1 44 THR HA 1 45 ILE H 2.994 . 4.114 3.196 3.089 3.279 . 0 0 "[ . 1 . 2]" 1
1005 1 44 THR HA 1 65 LYS QB 3.511 . 4.951 2.938 2.626 3.277 . 0 0 "[ . 1 . 2]" 1
1006 1 44 THR HA 1 65 LYS QD 2.974 . 3.977 3.133 2.394 3.504 . 0 0 "[ . 1 . 2]" 1
1007 1 44 THR HA 1 65 LYS QE 3.352 . 4.757 4.812 2.985 5.543 0.786 8 7 "[** . *+ 1 * . -*]" 1
1008 1 44 THR HA 1 65 LYS QG 3.511 . 5.052 4.621 4.030 4.967 . 0 0 "[ . 1 . 2]" 1
1009 1 44 THR HB 1 44 THR MG 2.101 . 2.653 2.133 2.131 2.135 . 0 0 "[ . 1 . 2]" 1
1010 1 44 THR HB 1 45 ILE H 3.569 . 5.162 4.398 4.325 4.440 . 0 0 "[ . 1 . 2]" 1
1011 1 44 THR HB 1 65 LYS QB 3.255 . 4.579 3.691 3.337 3.903 . 0 0 "[ . 1 . 2]" 1
1012 1 44 THR HB 1 65 LYS QD 3.271 . 4.929 4.706 4.333 4.940 0.011 8 0 "[ . 1 . 2]" 1
1013 1 44 THR HG1 1 45 ILE H 3.705 . 5.421 3.940 3.038 4.671 . 0 0 "[ . 1 . 2]" 1
1014 1 44 THR MG 1 45 ILE H 3.074 . 4.255 4.161 4.043 4.344 0.089 15 0 "[ . 1 . 2]" 1
1015 1 44 THR MG 1 65 LYS QD 3.298 . 4.658 4.398 3.774 4.827 0.169 6 0 "[ . 1 . 2]" 1
1016 1 45 ILE H 1 45 ILE HB 2.392 . 3.107 2.518 2.451 2.569 . 0 0 "[ . 1 . 2]" 1
1017 1 45 ILE H 1 45 ILE MD 2.892 . 3.938 3.765 3.611 4.017 0.079 18 0 "[ . 1 . 2]" 1
1018 1 45 ILE H 1 45 ILE HG12 2.657 . 5.000 2.786 2.574 2.984 . 0 0 "[ . 1 . 2]" 1
1019 1 45 ILE H 1 45 ILE HG13 2.876 . 3.910 4.065 3.917 4.184 0.274 3 0 "[ . 1 . 2]" 1
1020 1 45 ILE H 1 45 ILE MG 2.758 . 5.000 3.823 3.790 3.851 . 0 0 "[ . 1 . 2]" 1
1021 1 45 ILE H 1 46 ASP H 3.549 . 5.124 4.494 4.448 4.545 . 0 0 "[ . 1 . 2]" 1
1022 1 45 ILE HA 1 45 ILE MD 2.213 . 2.825 2.125 2.054 2.200 . 0 0 "[ . 1 . 2]" 1
1023 1 45 ILE HA 1 45 ILE HG12 3.022 . 4.164 3.071 2.904 3.139 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ILE HA 1 45 ILE HG13 3.310 . 4.679 3.781 3.743 3.807 . 0 0 "[ . 1 . 2]" 1
1025 1 45 ILE HA 1 45 ILE MG 2.518 . 3.311 2.563 2.534 2.608 . 0 0 "[ . 1 . 2]" 1
1026 1 45 ILE HA 1 46 ASP H 2.575 . 3.404 2.236 2.201 2.281 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ILE HA 1 62 LEU QD 3.233 . 4.539 5.375 5.115 6.115 1.576 5 20 [****+*****-*********] 1
1028 1 45 ILE HA 1 64 GLY H 3.408 . 4.860 4.899 4.868 4.963 0.103 20 0 "[ . 1 . 2]" 1
1029 1 45 ILE HA 1 64 GLY HA2 2.582 . 3.415 2.242 2.091 2.409 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ILE HA 1 64 GLY HA3 2.442 . 5.000 3.934 3.718 4.137 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ILE HA 1 65 LYS QG 3.494 . 5.020 5.379 3.303 5.615 0.595 8 7 "[* *- + 1 * *. *]" 1
1032 1 45 ILE HB 1 45 ILE MD 2.594 . 3.435 3.287 3.282 3.291 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ILE HB 1 45 ILE HG12 2.473 . 3.238 2.459 2.429 2.517 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ILE HB 1 45 ILE HG13 2.738 . 3.675 2.451 2.395 2.480 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ILE HB 1 45 ILE MG 2.310 . 2.977 2.119 2.116 2.121 . 0 0 "[ . 1 . 2]" 1
1036 1 45 ILE HB 1 108 ILE MD 2.785 . 3.754 2.755 2.367 2.990 . 0 0 "[ . 1 . 2]" 1
1037 1 45 ILE HB 1 108 ILE MG 2.754 . 3.702 3.873 3.603 4.020 0.318 5 0 "[ . 1 . 2]" 1
1038 1 45 ILE MD 1 45 ILE HG12 2.165 . 2.751 2.119 2.116 2.123 . 0 0 "[ . 1 . 2]" 1
1039 1 45 ILE MD 1 45 ILE HG13 2.316 . 2.986 2.129 2.128 2.130 . 0 0 "[ . 1 . 2]" 1
1040 1 45 ILE MD 1 45 ILE MG 2.049 . 2.574 2.076 2.016 2.141 . 0 0 "[ . 1 . 2]" 1
1041 1 45 ILE MD 1 46 ASP H 3.287 . 4.638 3.656 3.539 3.743 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ILE MD 1 62 LEU HA 3.144 . 4.380 4.307 3.899 4.480 0.100 8 0 "[ . 1 . 2]" 1
1043 1 45 ILE MD 1 62 LEU HB2 3.007 . 4.137 3.931 3.190 4.181 0.044 16 0 "[ . 1 . 2]" 1
1044 1 45 ILE MD 1 62 LEU HB3 2.575 . 3.404 2.649 2.278 2.777 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ILE MD 1 63 ILE H 3.750 . 5.507 4.173 3.824 4.441 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ILE MD 1 64 GLY HA2 2.494 . 3.272 2.144 1.945 2.254 . 0 0 "[ . 1 . 2]" 1
1047 1 45 ILE MD 1 64 GLY HA3 2.657 . 3.539 3.239 3.068 3.422 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ILE MD 1 65 LYS H 3.276 . 4.618 3.514 3.366 3.702 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ILE MD 1 87 HIS QB 3.577 . 5.176 4.191 3.991 4.380 . 0 0 "[ . 1 . 2]" 1
1050 1 45 ILE MD 1 87 HIS HD2 2.452 . 3.203 2.574 2.413 2.750 . 0 0 "[ . 1 . 2]" 1
1051 1 45 ILE HG12 1 45 ILE MG 2.267 . 2.909 3.227 3.224 3.229 0.320 1 0 "[ . 1 . 2]" 1
1052 1 45 ILE HG13 1 45 ILE MG 2.377 . 5.000 2.420 2.386 2.486 . 0 0 "[ . 1 . 2]" 1
1053 1 45 ILE MG 1 46 ASP H 2.804 . 3.786 2.398 2.248 2.540 . 0 0 "[ . 1 . 2]" 1
1054 1 45 ILE MG 1 62 LEU HA 2.927 . 3.998 3.541 3.419 3.646 . 0 0 "[ . 1 . 2]" 1
1055 1 45 ILE MG 1 62 LEU HB3 2.816 . 3.807 3.149 2.941 3.371 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ILE MG 1 62 LEU QD 2.213 . 2.825 2.489 2.081 3.544 0.719 5 1 "[ + 1 . 2]" 1
1057 1 45 ILE MG 1 63 ILE HA 3.263 . 4.594 4.439 4.344 4.603 0.009 18 0 "[ . 1 . 2]" 1
1058 1 45 ILE MG 1 64 GLY HA2 2.803 . 3.785 3.393 3.087 3.606 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ILE MG 1 65 LYS H 3.442 . 4.923 4.831 4.434 5.032 0.109 1 0 "[ . 1 . 2]" 1
1060 1 45 ILE MG 1 65 LYS QG 2.752 . 5.000 6.347 4.497 6.556 1.556 1 19 "[+*************-* ***]" 1
1061 1 45 ILE MG 1 87 HIS HD2 3.455 . 4.947 4.391 3.894 4.762 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ILE MG 1 104 LEU HB3 3.113 . 4.324 4.497 4.399 4.730 0.406 20 0 "[ . 1 . 2]" 1
1063 1 45 ILE MG 1 108 ILE MD 2.125 . 2.690 1.881 1.782 2.065 . 0 0 "[ . 1 . 2]" 1
1064 1 46 ASP H 1 46 ASP HA 2.869 . 3.898 2.943 2.935 2.953 . 0 0 "[ . 1 . 2]" 1
1065 1 46 ASP H 1 46 ASP QB 2.888 . 3.814 2.423 2.397 2.463 . 0 0 "[ . 1 . 2]" 1
1066 1 46 ASP H 1 47 LYS H 2.519 . 3.312 2.207 2.061 2.334 . 0 0 "[ . 1 . 2]" 1
1067 1 46 ASP H 1 65 LYS H 2.936 . 4.014 3.875 3.228 4.066 0.052 20 0 "[ . 1 . 2]" 1
1068 1 46 ASP HA 1 46 ASP QB 2.616 . 3.432 2.359 2.337 2.382 . 0 0 "[ . 1 . 2]" 1
1069 1 46 ASP HA 1 47 LYS H 2.681 . 3.580 3.583 3.553 3.608 0.028 9 0 "[ . 1 . 2]" 1
1070 1 46 ASP HA 1 65 LYS HA 3.015 . 5.000 4.876 4.456 5.070 0.070 1 0 "[ . 1 . 2]" 1
1071 1 46 ASP HA 1 65 LYS QE 2.862 . 3.886 5.708 2.789 6.709 2.823 16 16 "[*** * ****-****+ **]" 1
1072 1 46 ASP HA 1 65 LYS QG 3.124 . 4.344 4.812 2.957 5.163 0.819 1 12 "[+**** **1 ** .* -*]" 1
1073 1 46 ASP HA 1 112 LYS QD 3.356 . 4.764 5.113 4.205 6.045 1.281 15 8 "[ . *1 -**+** *]" 1
1074 1 46 ASP HA 1 112 LYS QE 2.898 . 3.948 5.849 2.785 7.308 3.360 16 17 "[****. ****-***.+****]" 1
1075 1 46 ASP QB 1 47 LYS H 2.635 . 3.503 2.571 2.447 2.688 . 0 0 "[ . 1 . 2]" 1
1076 1 46 ASP QB 1 63 ILE MG 3.099 . 4.300 3.011 2.748 3.319 . 0 0 "[ . 1 . 2]" 1
1077 1 46 ASP QB 1 65 LYS H 3.412 . 4.867 4.057 3.468 4.288 . 0 0 "[ . 1 . 2]" 1
1078 1 46 ASP QB 1 65 LYS HA 2.566 . 3.257 2.521 2.112 2.696 . 0 0 "[ . 1 . 2]" 1
1079 1 46 ASP QB 1 65 LYS QE 3.328 . 4.444 4.731 3.272 5.512 1.068 16 7 "[ * . * -***+ 2]" 1
1080 1 46 ASP QB 1 65 LYS QG 3.043 . 4.160 3.121 1.974 3.342 . 0 0 "[ . 1 . 2]" 1
1081 1 46 ASP QB 1 66 VAL H 3.305 . 4.670 3.992 3.749 4.237 . 0 0 "[ . 1 . 2]" 1
1082 1 47 LYS H 1 47 LYS QB 3.087 . 3.918 2.578 2.404 2.695 . 0 0 "[ . 1 . 2]" 1
1083 1 47 LYS H 1 47 LYS QG 3.108 . 4.097 3.112 2.896 3.492 . 0 0 "[ . 1 . 2]" 1
1084 1 47 LYS H 1 48 LEU QD 3.484 . 5.001 4.774 3.952 6.083 1.082 20 1 "[ . 1 . +]" 1
1085 1 47 LYS H 1 63 ILE H 3.160 . 4.408 3.601 3.450 3.884 . 0 0 "[ . 1 . 2]" 1
1086 1 47 LYS H 1 63 ILE HB 2.750 . 3.695 2.328 2.111 2.519 . 0 0 "[ . 1 . 2]" 1
1087 1 47 LYS H 1 63 ILE MD 3.469 . 4.973 4.157 3.920 4.958 . 0 0 "[ . 1 . 2]" 1
1088 1 47 LYS H 1 63 ILE MG 3.129 . 4.353 3.092 2.756 3.415 . 0 0 "[ . 1 . 2]" 1
1089 1 47 LYS HA 1 47 LYS QB 2.457 . 3.112 2.405 2.373 2.488 . 0 0 "[ . 1 . 2]" 1
1090 1 47 LYS HA 1 47 LYS HD2 3.337 . 4.729 4.597 4.207 4.727 . 0 0 "[ . 1 . 2]" 1
1091 1 47 LYS HA 1 47 LYS HD3 3.180 . 5.000 4.435 4.288 4.649 . 0 0 "[ . 1 . 2]" 1
1092 1 47 LYS HA 1 47 LYS QE 3.285 . 4.634 4.659 4.478 4.841 0.207 14 0 "[ . 1 . 2]" 1
1093 1 47 LYS HA 1 47 LYS QG 2.699 . 3.610 2.380 2.223 2.502 . 0 0 "[ . 1 . 2]" 1
1094 1 47 LYS HA 1 48 LEU H 2.153 . 2.732 2.481 2.423 2.564 . 0 0 "[ . 1 . 2]" 1
1095 1 47 LYS HA 1 48 LEU HA 3.420 . 4.882 4.588 4.571 4.610 . 0 0 "[ . 1 . 2]" 1
1096 1 47 LYS HA 1 63 ILE MD 3.520 . 5.068 4.420 4.034 5.872 0.804 4 1 "[ +. 1 . 2]" 1
1097 1 47 LYS HA 1 108 ILE MD 2.874 . 3.906 3.552 3.287 3.937 0.031 14 0 "[ . 1 . 2]" 1
1098 1 47 LYS HA 1 108 ILE MG 2.891 . 3.935 4.007 3.875 4.085 0.150 14 0 "[ . 1 . 2]" 1
1099 1 47 LYS QB 1 47 LYS QE . . 2.337 3.517 2.366 3.653 1.316 10 19 "[* *******+****-*****]" 1
1100 1 47 LYS QB 1 48 LEU H 2.394 . 3.228 2.213 1.934 2.419 . 0 0 "[ . 1 . 2]" 1
1101 1 47 LYS QB 1 48 LEU HA 3.034 . 4.184 3.913 3.817 4.006 . 0 0 "[ . 1 . 2]" 1
1102 1 47 LYS QB 1 49 GLN QG 2.998 . 4.121 3.659 3.196 6.272 2.151 6 2 "[ .+ 1 .- 2]" 1
1103 1 47 LYS QB 1 63 ILE MD 2.620 . 3.478 1.976 1.679 3.480 0.321 7 0 "[ . 1 . 2]" 1
1104 1 47 LYS QB 1 63 ILE MG 2.376 . 3.082 2.479 2.159 2.872 . 0 0 "[ . 1 . 2]" 1
1105 1 47 LYS HD2 1 47 LYS QE 2.044 . 2.566 2.368 2.162 2.462 . 0 0 "[ . 1 . 2]" 1
1106 1 47 LYS HD3 1 47 LYS QE 1.908 . 5.000 2.262 2.149 2.426 . 0 0 "[ . 1 . 2]" 1
1107 1 47 LYS HD3 1 63 ILE MG 2.576 . 5.000 4.057 2.843 4.653 . 0 0 "[ . 1 . 2]" 1
1108 1 47 LYS QE 1 47 LYS QG 2.233 . 2.740 2.220 2.113 2.451 . 0 0 "[ . 1 . 2]" 1
1109 1 47 LYS QE 1 48 LEU H 3.645 . 5.306 5.633 5.486 5.983 0.677 11 1 "[ . 1+ . 2]" 1
1110 1 47 LYS QE 1 63 ILE MD 2.472 . 5.000 4.213 2.337 5.651 0.651 4 1 "[ +. 1 . 2]" 1
1111 1 47 LYS QE 1 63 ILE MG 2.619 . 3.477 4.327 1.725 4.955 1.478 20 18 "[* * ******-********+]" 1
1112 1 47 LYS QG 1 48 LEU H 3.205 . 4.489 3.643 3.323 3.754 . 0 0 "[ . 1 . 2]" 1
1113 1 47 LYS QG 1 63 ILE MD 3.098 . 4.298 3.580 3.130 5.045 0.747 4 1 "[ +. 1 . 2]" 1
1114 1 48 LEU H 1 48 LEU HA 2.891 . 3.936 2.921 2.905 2.934 . 0 0 "[ . 1 . 2]" 1
1115 1 48 LEU H 1 48 LEU QB 2.455 . 3.208 3.221 2.787 3.359 0.151 15 0 "[ . 1 . 2]" 1
1116 1 48 LEU H 1 48 LEU QD 2.911 . 3.546 2.601 1.968 3.884 0.338 20 0 "[ . 1 . 2]" 1
1117 1 48 LEU H 1 48 LEU HG 2.841 . 3.850 3.024 2.489 4.803 0.953 20 1 "[ . 1 . +]" 1
1118 1 48 LEU H 1 49 GLN H 3.377 . 4.802 4.219 4.139 4.278 . 0 0 "[ . 1 . 2]" 1
1119 1 48 LEU H 1 63 ILE H 3.318 . 4.694 4.378 4.290 4.463 . 0 0 "[ . 1 . 2]" 1
1120 1 48 LEU HA 1 48 LEU QB 2.556 . 3.345 2.217 2.169 2.427 . 0 0 "[ . 1 . 2]" 1
1121 1 48 LEU HA 1 48 LEU QD 2.352 . 5.000 3.166 2.077 3.426 . 0 0 "[ . 1 . 2]" 1
1122 1 48 LEU HA 1 48 LEU HG 2.789 . 3.761 3.295 2.500 3.548 . 0 0 "[ . 1 . 2]" 1
1123 1 48 LEU HA 1 49 GLN H 2.282 . 2.933 2.243 2.202 2.280 . 0 0 "[ . 1 . 2]" 1
1124 1 48 LEU HA 1 62 LEU HA 2.542 . 3.350 2.459 2.419 2.523 . 0 0 "[ . 1 . 2]" 1
1125 1 48 LEU HA 1 62 LEU HB3 3.205 . 5.000 4.968 4.688 5.084 0.084 6 0 "[ . 1 . 2]" 1
1126 1 48 LEU HA 1 62 LEU QD 3.191 . 3.763 3.200 2.848 4.447 0.684 19 2 "[ . 1 - . +2]" 1
1127 1 48 LEU HA 1 63 ILE H 3.117 . 4.331 2.645 2.426 2.790 . 0 0 "[ . 1 . 2]" 1
1128 1 48 LEU HA 1 108 ILE MD 3.426 . 4.893 4.849 4.769 4.977 0.084 14 0 "[ . 1 . 2]" 1
1129 1 48 LEU QB 1 48 LEU QD 2.390 . 2.647 1.885 1.847 1.927 0.153 18 0 "[ . 1 . 2]" 1
1130 1 48 LEU QB 1 48 LEU HG . . 5.000 2.402 2.349 2.444 . 0 0 "[ . 1 . 2]" 1
1131 1 48 LEU QB 1 49 GLN H 2.939 . 4.019 3.179 2.983 3.748 . 0 0 "[ . 1 . 2]" 1
1132 1 48 LEU QB 1 62 LEU QD 2.289 . 4.944 2.364 1.909 3.889 . 0 0 "[ . 1 . 2]" 1
1133 1 48 LEU QB 1 104 LEU HB3 3.193 . 4.468 4.089 3.706 4.396 . 0 0 "[ . 1 . 2]" 1
1134 1 48 LEU QB 1 104 LEU QD 2.658 . 3.286 3.185 3.037 4.273 0.987 20 1 "[ . 1 . +]" 1
1135 1 48 LEU QB 1 105 GLN HA 3.686 . 5.384 5.131 4.490 5.293 . 0 0 "[ . 1 . 2]" 1
1136 1 48 LEU QB 1 108 ILE MD 2.446 . 5.000 3.743 3.140 4.015 . 0 0 "[ . 1 . 2]" 1
1137 1 48 LEU MD1 1 48 LEU MD2 2.366 . 3.066 2.018 1.989 2.028 . 0 0 "[ . 1 . 2]" 1
1138 1 48 LEU QD 1 49 GLN H 2.733 . 5.000 4.061 2.348 4.419 . 0 0 "[ . 1 . 2]" 1
1139 1 48 LEU QD 1 62 LEU HA 2.414 . 5.000 3.886 1.834 4.461 0.166 5 0 "[ . 1 . 2]" 1
1140 1 48 LEU QD 1 62 LEU HG 2.030 . 5.000 4.574 1.819 5.514 0.514 14 1 "[ . 1 +. 2]" 1
1141 1 48 LEU QD 1 89 PHE QE 2.884 . 5.000 6.625 5.395 7.316 2.316 14 18 [****.********+****-2] 1
1142 1 48 LEU QD 1 101 LYS HA 2.751 . 3.697 2.696 2.027 2.923 . 0 0 "[ . 1 . 2]" 1
1143 1 48 LEU QD 1 101 LYS QE 3.642 . 5.300 2.567 1.895 3.794 0.089 4 0 "[ . 1 . 2]" 1
1144 1 48 LEU QD 1 104 LEU H 3.080 . 4.266 4.255 4.156 4.380 0.114 20 0 "[ . 1 . 2]" 1
1145 1 48 LEU QD 1 104 LEU HA 2.789 . 3.761 3.922 3.627 4.533 0.772 20 1 "[ . 1 . +]" 1
1146 1 48 LEU QD 1 104 LEU HB2 2.167 . 2.754 2.324 2.142 2.783 0.029 14 0 "[ . 1 . 2]" 1
1147 1 48 LEU QD 1 104 LEU HB3 2.456 . 3.210 1.996 1.586 2.323 0.116 19 0 "[ . 1 . 2]" 1
1148 1 48 LEU QD 1 104 LEU QD 1.846 . 2.272 2.252 1.765 2.572 0.300 14 0 "[ . 1 . 2]" 1
1149 1 48 LEU QD 1 105 GLN H 2.898 . 3.736 2.648 2.490 3.552 . 0 0 "[ . 1 . 2]" 1
1150 1 48 LEU QD 1 105 GLN HA 2.672 . 3.564 2.468 2.230 4.360 0.796 20 1 "[ . 1 . +]" 1
1151 1 48 LEU QD 1 105 GLN HB3 2.785 . 5.000 3.771 3.421 5.058 0.058 20 0 "[ . 1 . 2]" 1
1152 1 48 LEU QD 1 105 GLN HE22 3.564 . 5.152 4.465 3.080 6.083 0.931 20 1 "[ . 1 . +]" 1
1153 1 48 LEU QD 1 105 GLN QG 2.671 . 3.457 3.253 1.803 5.148 1.691 20 4 "[ * 1 - . *+]" 1
1154 1 48 LEU QD 1 108 ILE QG 2.422 . 5.000 3.671 3.239 5.089 0.089 20 0 "[ . 1 . 2]" 1
1155 1 48 LEU HG 1 49 GLN H 3.147 . 5.000 5.133 3.074 5.321 0.321 2 0 "[ . 1 . 2]" 1
1156 1 48 LEU HG 1 62 LEU QD 2.914 . 3.976 3.630 1.956 4.838 0.862 19 1 "[ . 1 . +2]" 1
1157 1 48 LEU HG 1 63 ILE MD 2.337 . 5.000 5.861 5.341 6.705 1.705 4 18 "[***+* ****** *****-*]" 1
1158 1 48 LEU HG 1 108 ILE MD 2.546 . 3.356 2.724 2.390 5.043 1.687 20 1 "[ . 1 . +]" 1
1159 1 49 GLN H 1 49 GLN HA 2.973 . 4.077 2.950 2.943 2.957 . 0 0 "[ . 1 . 2]" 1
1160 1 49 GLN H 1 49 GLN QB 2.727 . 3.656 2.643 2.509 2.730 . 0 0 "[ . 1 . 2]" 1
1161 1 49 GLN H 1 49 GLN QG 3.356 . 4.188 3.263 2.964 4.179 . 0 0 "[ . 1 . 2]" 1
1162 1 49 GLN H 1 60 LEU HA 3.575 . 5.173 5.023 4.769 5.179 0.006 17 0 "[ . 1 . 2]" 1
1163 1 49 GLN H 1 61 ARG H 2.867 . 3.895 3.126 2.867 3.294 . 0 0 "[ . 1 . 2]" 1
1164 1 49 GLN H 1 62 LEU HA 3.458 . 4.953 3.701 3.557 3.807 . 0 0 "[ . 1 . 2]" 1
1165 1 49 GLN H 1 63 ILE H 3.331 . 4.718 4.227 3.975 4.441 . 0 0 "[ . 1 . 2]" 1
1166 1 49 GLN H 1 63 ILE MD 3.840 . 5.683 4.292 3.666 4.752 . 0 0 "[ . 1 . 2]" 1
1167 1 49 GLN HA 1 49 GLN QB 2.419 . 3.151 2.409 2.371 2.523 . 0 0 "[ . 1 . 2]" 1
1168 1 49 GLN HA 1 49 GLN QG 2.569 . 3.481 2.465 2.231 2.968 . 0 0 "[ . 1 . 2]" 1
1169 1 49 GLN HA 1 50 ALA H 2.533 . 3.335 2.165 2.146 2.184 . 0 0 "[ . 1 . 2]" 1
1170 1 49 GLN HA 1 50 ALA MB 3.102 . 4.305 3.998 3.964 4.038 . 0 0 "[ . 1 . 2]" 1
1171 1 49 GLN HA 1 61 ARG QB 3.124 . 4.344 4.198 4.027 4.304 . 0 0 "[ . 1 . 2]" 1
1172 1 49 GLN HA 2 28 LEU QD 4.300 3.500 5.100 3.391 2.914 4.303 0.586 5 1 "[ + 1 . 2]" 1
1173 1 49 GLN QB 1 49 GLN QG 2.411 . 2.425 2.081 1.985 2.097 . 0 0 "[ . 1 . 2]" 1
1174 1 49 GLN QB 1 50 ALA H 3.156 . 4.401 3.440 3.224 3.841 . 0 0 "[ . 1 . 2]" 1
1175 1 49 GLN QB 1 61 ARG H 3.196 . 4.473 3.793 3.593 3.954 . 0 0 "[ . 1 . 2]" 1
1176 1 49 GLN QB 1 61 ARG QB 2.430 . 3.168 2.117 1.875 2.325 . 0 0 "[ . 1 . 2]" 1
1177 1 49 GLN QB 1 63 ILE MD 3.807 . 5.618 3.406 2.436 3.773 . 0 0 "[ . 1 . 2]" 1
1178 1 49 GLN QB 2 24 PHE QB 3.900 3.200 4.600 3.942 3.596 4.268 . 0 0 "[ . 1 . 2]" 1
1179 1 49 GLN QB 2 24 PHE QE 3.800 3.100 4.500 3.082 1.745 5.695 1.355 19 9 "[ * * **** *. +-]" 1
1180 1 49 GLN QB 2 28 LEU QD 4.000 3.300 4.700 2.600 1.852 4.175 1.448 2 14 "[*+*** *- ** * * ***2]" 1
1181 1 49 GLN HE21 1 49 GLN QG 3.170 . 4.426 2.298 2.116 2.906 . 0 0 "[ . 1 . 2]" 1
1182 1 49 GLN HE22 1 49 GLN QG 3.154 . 4.397 3.266 3.214 3.521 . 0 0 "[ . 1 . 2]" 1
1183 1 49 GLN HE22 1 63 ILE MD 3.839 . 5.682 3.783 2.884 5.466 . 0 0 "[ . 1 . 2]" 1
1184 1 49 GLN QG 1 50 ALA H 3.560 . 5.144 4.082 2.773 4.792 . 0 0 "[ . 1 . 2]" 1
1185 1 49 GLN QG 1 61 ARG QB 3.296 . 4.654 3.804 3.445 4.313 . 0 0 "[ . 1 . 2]" 1
1186 1 49 GLN QG 1 63 ILE MD 3.473 . 3.498 2.681 2.049 4.636 1.138 16 2 "[ .- 1 .+ 2]" 1
1187 1 49 GLN QG 1 63 ILE QG 3.240 . 4.223 3.446 2.742 5.421 1.198 16 2 "[ .- 1 .+ 2]" 1
1188 1 50 ALA H 1 50 ALA MB 2.796 . 3.773 2.407 2.371 2.441 . 0 0 "[ . 1 . 2]" 1
1189 1 50 ALA H 1 51 THR H 3.989 . 5.978 4.545 4.515 4.565 . 0 0 "[ . 1 . 2]" 1
1190 1 50 ALA H 1 60 LEU QD 3.930 . 5.861 3.888 3.723 4.425 . 0 0 "[ . 1 . 2]" 1
1191 1 50 ALA HA 1 50 ALA MB 2.110 . 2.666 2.124 2.119 2.126 . 0 0 "[ . 1 . 2]" 1
1192 1 50 ALA HA 1 51 THR H 2.259 . 2.897 2.295 2.229 2.362 . 0 0 "[ . 1 . 2]" 1
1193 1 50 ALA HA 1 60 LEU HA 2.409 . 3.134 2.144 2.089 2.213 . 0 0 "[ . 1 . 2]" 1
1194 1 50 ALA HA 1 60 LEU QB 3.558 . 5.091 3.840 3.785 3.932 . 0 0 "[ . 1 . 2]" 1
1195 1 50 ALA HA 1 60 LEU QD 2.429 . 4.745 2.909 2.606 3.481 . 0 0 "[ . 1 . 2]" 1
1196 1 50 ALA HA 1 60 LEU HG 3.299 . 4.659 4.849 4.279 5.051 0.392 3 0 "[ . 1 . 2]" 1
1197 1 50 ALA HA 1 61 ARG H 2.980 . 4.090 2.827 2.675 2.977 . 0 0 "[ . 1 . 2]" 1
1198 1 50 ALA HA 2 24 PHE QE 3.700 3.000 4.400 3.274 2.719 5.763 1.363 5 2 "[ - + 1 . 2]" 1
1199 1 50 ALA HA 2 28 LEU QD 4.100 3.300 4.900 4.877 4.202 6.071 1.171 6 3 "[ .+ 1 - .* 2]" 1
1200 1 50 ALA MB 1 51 THR H 2.458 . 3.213 2.634 2.484 2.811 . 0 0 "[ . 1 . 2]" 1
1201 1 50 ALA MB 1 51 THR HA 3.191 . 4.464 4.422 4.324 4.500 0.036 10 0 "[ . 1 . 2]" 1
1202 1 50 ALA MB 1 51 THR MG 2.777 . 5.000 4.215 3.469 4.693 . 0 0 "[ . 1 . 2]" 1
1203 1 50 ALA MB 1 60 LEU HA 2.556 . 3.373 2.865 2.734 3.030 . 0 0 "[ . 1 . 2]" 1
1204 1 50 ALA MB 1 60 LEU QB 3.598 . 5.216 3.171 2.991 3.321 . 0 0 "[ . 1 . 2]" 1
1205 1 50 ALA MB 1 60 LEU QD 2.347 . 3.035 1.866 1.778 1.960 0.222 2 0 "[ . 1 . 2]" 1
1206 1 50 ALA MB 1 60 LEU HG 2.668 . 3.558 4.147 3.437 4.307 0.749 4 18 "[***+*********-*** *2]" 1
1207 1 50 ALA MB 1 62 LEU QD 2.166 . 5.000 4.998 4.706 5.820 0.820 11 2 "[ . 1+ - . 2]" 1
1208 1 50 ALA MB 1 97 MET HA 3.399 . 4.843 4.718 4.530 4.921 0.078 3 0 "[ . 1 . 2]" 1
1209 1 50 ALA MB 1 97 MET HB3 2.867 . 3.895 3.987 2.588 4.454 0.559 20 3 "[ . - 1 * +]" 1
1210 1 50 ALA MB 1 97 MET ME 2.194 . 5.000 3.471 1.970 4.140 0.030 16 0 "[ . 1 . 2]" 1
1211 1 50 ALA MB 1 101 LYS QD 2.349 . 3.039 2.328 2.174 2.596 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ALA MB 1 101 LYS QE 2.610 . 3.461 3.737 3.494 4.022 0.561 8 3 "[- *. + 1 . 2]" 1
1213 1 50 ALA MB 2 24 PHE QE 4.100 3.300 4.900 4.458 4.104 6.681 1.781 5 2 "[ - + 1 . 2]" 1
1214 1 50 ALA MB 2 28 LEU QD 3.500 2.900 4.100 4.262 3.895 4.959 0.859 6 4 "[ .+ 1 * -.* 2]" 1
1215 1 51 THR H 1 51 THR HA 2.819 . 3.812 2.847 2.817 2.883 . 0 0 "[ . 1 . 2]" 1
1216 1 51 THR H 1 51 THR HB 3.020 . 4.160 3.449 2.635 3.661 . 0 0 "[ . 1 . 2]" 1
1217 1 51 THR H 1 51 THR MG 2.782 . 3.750 2.345 2.015 2.907 . 0 0 "[ . 1 . 2]" 1
1218 1 51 THR H 1 52 PRO QD 3.690 . 5.392 4.278 4.244 4.325 . 0 0 "[ . 1 . 2]" 1
1219 1 51 THR H 1 59 MET H 2.856 . 3.876 3.189 3.019 3.361 . 0 0 "[ . 1 . 2]" 1
1220 1 51 THR H 1 59 MET ME 3.383 . 4.814 6.183 3.435 7.459 2.645 17 15 "[****.*** 1 ** **+**-]" 1
1221 1 51 THR H 1 60 LEU HA 3.096 . 4.294 3.445 3.281 3.608 . 0 0 "[ . 1 . 2]" 1
1222 1 51 THR H 1 61 ARG H 3.725 . 5.459 4.781 4.571 5.044 . 0 0 "[ . 1 . 2]" 1
1223 1 51 THR H 1 97 MET ME 2.668 . 3.558 3.682 2.754 4.055 0.497 20 0 "[ . 1 . 2]" 1
1224 1 51 THR HA 1 51 THR HB 2.317 . 2.988 2.505 2.407 2.671 . 0 0 "[ . 1 . 2]" 1
1225 1 51 THR HA 1 51 THR MG 2.364 . 3.063 2.542 2.246 3.231 0.168 1 0 "[ . 1 . 2]" 1
1226 1 51 THR HA 1 52 PRO QD 2.579 . 3.410 2.026 2.000 2.060 . 0 0 "[ . 1 . 2]" 1
1227 1 51 THR HA 1 55 SER QB 2.184 . 4.052 3.437 3.387 3.514 . 0 0 "[ . 1 . 2]" 1
1228 1 51 THR HA 1 57 LYS QB 3.500 . 5.031 4.212 4.081 4.313 . 0 0 "[ . 1 . 2]" 1
1229 1 51 THR HB 1 51 THR MG 2.199 . 2.804 2.140 2.134 2.146 . 0 0 "[ . 1 . 2]" 1
1230 1 51 THR HB 1 52 PRO QD 2.634 . 3.501 3.404 3.163 4.000 0.499 1 0 "[ . 1 . 2]" 1
1231 1 51 THR HB 1 55 SER H 3.298 . 4.657 5.051 4.639 6.512 1.855 5 4 "[* + 1 . *-]" 1
1232 1 51 THR HB 1 55 SER HA 2.859 . 5.000 5.511 5.151 6.742 1.742 5 4 "[* + 1 . *-]" 1
1233 1 51 THR HB 1 55 SER QB 2.568 . 3.013 2.739 2.298 4.015 1.002 19 4 "[* * 1 . +-]" 1
1234 1 51 THR HB 1 57 LYS QB 2.610 . 3.462 2.848 2.593 3.245 . 0 0 "[ . 1 . 2]" 1
1235 1 51 THR HB 1 59 MET QB 3.372 . 4.794 4.594 4.022 5.559 0.765 11 2 "[ . 1+- . 2]" 1
1236 1 51 THR MG 1 52 PRO QD 2.883 . 3.922 3.596 3.096 4.088 0.166 20 0 "[ . 1 . 2]" 1
1237 1 51 THR MG 1 55 SER QB 2.864 . 3.889 3.533 2.974 3.689 . 0 0 "[ . 1 . 2]" 1
1238 1 51 THR MG 1 57 LYS HA 2.881 . 3.918 3.978 3.613 4.557 0.639 5 3 "[* + 1 . -]" 1
1239 1 51 THR MG 1 57 LYS QB 2.618 . 3.474 2.111 1.581 3.374 0.220 11 0 "[ . 1 . 2]" 1
1240 1 51 THR MG 1 57 LYS QD 3.075 . 5.000 3.523 2.649 5.397 0.397 1 0 "[ . 1 . 2]" 1
1241 1 51 THR MG 1 57 LYS QE 3.128 . 5.000 4.901 3.981 6.609 1.609 5 4 "[* + 1 . -*]" 1
1242 1 51 THR MG 1 57 LYS QG 3.031 . 4.179 3.723 3.067 5.119 0.940 5 3 "[* + 1 . -]" 1
1243 1 51 THR MG 1 59 MET H 2.670 . 3.561 2.112 1.331 2.656 0.448 20 0 "[ . 1 . 2]" 1
1244 1 51 THR MG 1 59 MET HA 3.359 . 4.769 3.899 3.686 4.391 . 0 0 "[ . 1 . 2]" 1
1245 1 51 THR MG 1 59 MET QB 2.660 . 3.545 2.490 1.947 4.035 0.490 5 0 "[ . 1 . 2]" 1
1246 1 51 THR MG 1 59 MET ME 2.197 . 2.800 3.941 2.245 5.018 2.218 17 17 "[******** 1*-* **+***]" 1
1247 1 51 THR MG 1 59 MET QG 2.789 . 3.761 2.728 1.532 3.524 0.337 11 0 "[ . 1 . 2]" 1
1248 1 51 THR MG 1 60 LEU HA 3.480 . 4.994 4.428 4.235 5.110 0.116 11 0 "[ . 1 . 2]" 1
1249 1 51 THR MG 1 88 MET QG 2.809 . 5.000 5.646 4.443 7.499 2.499 5 13 "[** +* ***** * * -*]" 1
1250 1 51 THR MG 2 24 PHE QE 3.400 2.800 4.000 3.034 2.046 6.078 2.078 5 4 "[-* + * . 2]" 1
1251 1 51 THR MG 2 27 LEU QD 3.300 2.700 3.900 3.172 1.909 5.459 1.559 5 4 "[- * + 1 . *]" 1
1252 1 52 PRO HA 1 52 PRO HB2 2.335 . 3.017 2.968 2.959 2.980 . 0 0 "[ . 1 . 2]" 1
1253 1 52 PRO HA 1 52 PRO HB3 2.296 . 2.955 2.295 2.286 2.306 . 0 0 "[ . 1 . 2]" 1
1254 1 52 PRO HA 1 52 PRO QD 3.072 . 4.252 3.335 3.264 3.372 . 0 0 "[ . 1 . 2]" 1
1255 1 52 PRO HA 1 52 PRO QG 2.897 . 3.755 2.944 2.887 2.988 . 0 0 "[ . 1 . 2]" 1
1256 1 52 PRO HB2 1 52 PRO QD 3.092 . 3.802 2.924 2.876 3.009 . 0 0 "[ . 1 . 2]" 1
1257 1 52 PRO HB2 1 52 PRO QG 1.862 . 2.295 2.203 2.192 2.215 . 0 0 "[ . 1 . 2]" 1
1258 1 52 PRO HB2 1 55 SER H 2.857 . 3.877 2.382 2.276 2.602 . 0 0 "[ . 1 . 2]" 1
1259 1 52 PRO HB2 1 55 SER HA 3.330 . 4.716 4.301 4.173 4.422 . 0 0 "[ . 1 . 2]" 1
1260 1 52 PRO HB2 1 55 SER QB 2.937 . 4.016 2.818 2.720 2.922 . 0 0 "[ . 1 . 2]" 1
1261 1 52 PRO HB3 1 52 PRO QD 3.360 . 4.236 3.514 3.489 3.528 . 0 0 "[ . 1 . 2]" 1
1262 1 52 PRO HB3 1 55 SER H 3.718 . 5.446 4.002 3.865 4.225 . 0 0 "[ . 1 . 2]" 1
1263 1 52 PRO QD 1 55 SER H 3.625 . 5.268 3.845 3.692 3.967 . 0 0 "[ . 1 . 2]" 1
1264 1 52 PRO QD 1 55 SER QB 2.856 . 3.876 2.036 1.937 2.165 . 0 0 "[ . 1 . 2]" 1
1265 1 52 PRO QD 2 27 LEU QD 4.200 3.400 5.000 3.113 1.500 5.049 1.900 17 6 "[- * .* 1 .*+* 2]" 1
1266 1 52 PRO QD 2 28 LEU QD 4.400 3.600 5.200 2.728 2.014 3.684 1.586 5 14 "[****+ ** -* * * ***2]" 1
1267 1 52 PRO QG 1 55 SER H 3.014 . 4.149 4.034 3.921 4.187 0.038 10 0 "[ . 1 . 2]" 1
1268 1 52 PRO QG 1 55 SER HA 3.363 . 4.777 4.832 4.661 4.927 0.150 12 0 "[ . 1 . 2]" 1
1269 1 52 PRO QG 1 55 SER QB 2.892 . 3.937 2.994 2.894 3.108 . 0 0 "[ . 1 . 2]" 1
1270 1 52 PRO QG 2 27 LEU QD 4.700 3.800 5.600 3.958 2.406 5.655 1.394 17 1 "[ . 1 . + 2]" 1
1271 1 52 PRO QG 2 28 LEU QD 4.300 3.500 5.100 2.554 2.147 3.284 1.353 15 17 "[******** ** * +****-]" 1
1272 1 53 ALA HA 1 53 ALA MB 1.862 . 2.295 2.128 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
1273 1 53 ALA HA 1 94 ARG QD 3.500 . 4.600 3.030 2.304 3.558 . 0 0 "[ . 1 . 2]" 1
1274 1 53 ALA MB 1 54 SER H 3.179 . 4.443 3.131 3.061 3.225 . 0 0 "[ . 1 . 2]" 1
1275 1 53 ALA MB 1 54 SER HA 3.095 . 4.292 4.148 4.090 4.203 . 0 0 "[ . 1 . 2]" 1
1276 1 53 ALA MB 1 54 SER HB3 3.456 . 4.949 4.267 4.141 4.359 . 0 0 "[ . 1 . 2]" 1
1277 1 53 ALA MB 1 55 SER H 3.558 . 5.141 4.514 4.445 4.636 . 0 0 "[ . 1 . 2]" 1
1278 1 53 ALA MB 1 94 ARG QD 3.186 . 4.264 2.710 1.320 3.729 0.597 8 1 "[ . + 1 . 2]" 1
1279 1 53 ALA MB 1 94 ARG QG 2.547 . 3.358 2.683 2.261 3.764 0.406 19 0 "[ . 1 . 2]" 1
1280 1 54 SER H 1 54 SER HA 2.986 . 4.101 2.922 2.915 2.934 . 0 0 "[ . 1 . 2]" 1
1281 1 54 SER H 1 54 SER HB2 3.035 . 4.187 3.658 3.635 3.680 . 0 0 "[ . 1 . 2]" 1
1282 1 54 SER H 1 54 SER HB3 3.070 . 4.248 2.794 2.717 2.865 . 0 0 "[ . 1 . 2]" 1
1283 1 54 SER HA 1 54 SER HB2 2.189 . 2.788 2.438 2.410 2.475 . 0 0 "[ . 1 . 2]" 1
1284 1 54 SER HA 1 54 SER HB3 2.268 . 2.911 2.458 2.419 2.501 . 0 0 "[ . 1 . 2]" 1
1285 1 54 SER HA 1 55 SER H 2.854 . 3.872 3.393 3.346 3.417 . 0 0 "[ . 1 . 2]" 1
1286 1 54 SER HB2 1 55 SER H 2.862 . 3.886 4.137 4.049 4.271 0.385 3 0 "[ . 1 . 2]" 1
1287 1 54 SER HB3 1 55 SER H 3.181 . 4.446 4.182 4.113 4.301 . 0 0 "[ . 1 . 2]" 1
1288 1 55 SER H 1 55 SER HA 2.554 . 3.369 2.838 2.812 2.865 . 0 0 "[ . 1 . 2]" 1
1289 1 55 SER H 1 55 SER QB 2.336 . 3.134 2.237 2.194 2.269 . 0 0 "[ . 1 . 2]" 1
1290 1 55 SER H 1 56 GLU H 3.541 . 5.108 4.572 4.551 4.609 . 0 0 "[ . 1 . 2]" 1
1291 1 55 SER H 1 57 LYS H 3.561 . 5.146 4.973 4.582 5.170 0.024 18 0 "[ . 1 . 2]" 1
1292 1 55 SER HA 1 55 SER QB 2.343 . 2.856 2.285 2.249 2.334 . 0 0 "[ . 1 . 2]" 1
1293 1 55 SER HA 1 56 GLU H 2.513 . 3.303 2.151 2.117 2.186 . 0 0 "[ . 1 . 2]" 1
1294 1 55 SER HA 1 57 LYS H 3.016 . 4.153 3.650 3.597 3.713 . 0 0 "[ . 1 . 2]" 1
1295 1 55 SER QB 1 56 GLU H 3.641 . 5.298 3.595 3.500 3.640 . 0 0 "[ . 1 . 2]" 1
1296 1 55 SER QB 1 57 LYS H 3.122 . 4.340 3.212 2.973 3.449 . 0 0 "[ . 1 . 2]" 1
1297 1 55 SER QB 1 57 LYS QB 3.116 . 4.330 3.558 3.487 3.618 . 0 0 "[ . 1 . 2]" 1
1298 1 55 SER QB 1 57 LYS QG 2.624 . 5.000 4.579 4.221 5.151 0.151 17 0 "[ . 1 . 2]" 1
1299 1 55 SER QB 2 27 LEU QD 3.000 2.200 3.800 2.693 2.059 4.433 0.633 11 1 "[ . 1+ . 2]" 1
1300 1 56 GLU H 1 56 GLU HA 2.994 . 4.115 2.807 2.765 2.824 . 0 0 "[ . 1 . 2]" 1
1301 1 56 GLU H 1 56 GLU QB 3.063 . 3.974 2.518 2.173 2.626 . 0 0 "[ . 1 . 2]" 1
1302 1 56 GLU H 1 56 GLU QG 3.688 . 5.123 2.752 2.228 3.916 . 0 0 "[ . 1 . 2]" 1
1303 1 56 GLU H 1 57 LYS H 2.722 . 3.648 2.624 2.520 2.776 . 0 0 "[ . 1 . 2]" 1
1304 1 56 GLU HA 1 56 GLU QB 2.242 . 2.870 2.306 2.155 2.403 . 0 0 "[ . 1 . 2]" 1
1305 1 56 GLU HA 1 56 GLU QG 2.454 . 3.207 2.654 2.392 3.497 0.290 5 0 "[ . 1 . 2]" 1
1306 1 56 GLU HA 1 57 LYS H 2.836 . 3.841 3.367 3.233 3.424 . 0 0 "[ . 1 . 2]" 1
1307 1 56 GLU HA 1 57 LYS HA 2.606 . 5.000 4.700 4.620 4.757 . 0 0 "[ . 1 . 2]" 1
1308 1 56 GLU QB 1 56 GLU QG 2.062 . 2.335 2.018 1.980 2.084 0.020 18 0 "[ . 1 . 2]" 1
1309 1 56 GLU QB 1 57 LYS H 3.060 . 4.231 3.066 2.685 3.648 . 0 0 "[ . 1 . 2]" 1
1310 1 56 GLU QB 1 57 LYS HA 3.314 . 4.687 3.916 3.755 4.254 . 0 0 "[ . 1 . 2]" 1
1311 1 56 GLU QB 1 57 LYS QD 2.578 . 3.408 4.363 3.085 5.638 2.230 17 13 "[ ****** 1**- **+* 2]" 1
1312 1 56 GLU QB 1 57 LYS QG 3.306 . 4.672 3.024 2.506 4.296 . 0 0 "[ . 1 . 2]" 1
1313 1 56 GLU QG 1 57 LYS H 3.525 . 5.040 4.122 2.376 4.537 . 0 0 "[ . 1 . 2]" 1
1314 1 57 LYS H 1 57 LYS HA 2.576 . 3.405 2.893 2.866 2.940 . 0 0 "[ . 1 . 2]" 1
1315 1 57 LYS H 1 57 LYS QB 2.400 . 3.322 2.296 2.029 2.533 . 0 0 "[ . 1 . 2]" 1
1316 1 57 LYS H 1 57 LYS QD 3.454 . 4.946 3.934 3.581 4.457 . 0 0 "[ . 1 . 2]" 1
1317 1 57 LYS H 1 57 LYS QG 2.654 . 3.761 2.594 2.388 3.313 . 0 0 "[ . 1 . 2]" 1
1318 1 57 LYS H 1 58 MET H 3.625 . 5.267 4.534 4.439 4.582 . 0 0 "[ . 1 . 2]" 1
1319 1 57 LYS HA 1 57 LYS QB 2.374 . 3.078 2.375 2.324 2.513 . 0 0 "[ . 1 . 2]" 1
1320 1 57 LYS HA 1 57 LYS QD 2.417 . 3.147 3.266 2.177 4.084 0.937 4 12 "[ *-+*** 1*** ** * 2]" 1
1321 1 57 LYS HA 1 57 LYS QE 3.372 . 4.793 4.443 3.737 4.964 0.171 3 0 "[ . 1 . 2]" 1
1322 1 57 LYS HA 1 57 LYS QG 2.607 . 3.267 2.582 2.287 2.998 . 0 0 "[ . 1 . 2]" 1
1323 1 57 LYS HA 1 58 MET H 2.539 . 3.345 2.215 2.161 2.259 . 0 0 "[ . 1 . 2]" 1
1324 1 57 LYS HA 1 58 MET QB 3.021 . 5.000 4.443 4.341 4.527 . 0 0 "[ . 1 . 2]" 1
1325 1 57 LYS HA 1 58 MET QG 3.102 . 4.305 3.818 3.646 4.069 . 0 0 "[ . 1 . 2]" 1
1326 1 57 LYS HA 1 59 MET ME 2.929 . 4.002 4.833 3.661 7.071 3.069 11 8 "[ * ** * 1+- * * 2]" 1
1327 1 57 LYS QB 1 57 LYS QE 3.127 . 4.349 3.532 3.010 3.809 . 0 0 "[ . 1 . 2]" 1
1328 1 57 LYS QB 1 57 LYS QG 2.208 . 2.237 2.032 1.964 2.074 . 0 0 "[ . 1 . 2]" 1
1329 1 57 LYS QB 1 58 MET H 3.167 . 4.421 2.785 2.631 3.179 . 0 0 "[ . 1 . 2]" 1
1330 1 57 LYS QB 1 58 MET HA 3.676 . 5.118 3.910 3.782 4.008 . 0 0 "[ . 1 . 2]" 1
1331 1 57 LYS QB 1 59 MET QB 2.942 . 4.024 3.363 2.923 3.673 . 0 0 "[ . 1 . 2]" 1
1332 1 57 LYS QB 1 59 MET ME 2.410 . 3.004 3.398 1.761 5.301 2.297 17 7 "[ * .* * 1*- * + 2]" 1
1333 1 57 LYS QB 2 27 LEU QD 3.500 2.800 3.500 2.839 2.125 3.788 0.675 3 1 "[ + . 1 . 2]" 1
1334 1 57 LYS QD 1 57 LYS QG . . 2.478 2.073 2.024 2.090 . 0 0 "[ . 1 . 2]" 1
1335 1 57 LYS QD 1 59 MET ME 2.367 . 5.000 3.118 2.191 4.867 . 0 0 "[ . 1 . 2]" 1
1336 1 57 LYS QE 1 57 LYS QG 2.123 . 2.680 2.141 1.979 2.294 . 0 0 "[ . 1 . 2]" 1
1337 1 57 LYS QE 1 59 MET ME 2.518 . 3.311 3.746 2.267 6.230 2.919 2 8 "[ + -*** 1* * * 2]" 1
1338 1 57 LYS QG 1 59 MET ME 2.545 . 3.354 3.782 2.339 5.718 2.364 2 8 "[ + ** * 1*- * * 2]" 1
1339 1 58 MET H 1 58 MET QB 3.106 . 4.312 2.599 2.528 2.668 . 0 0 "[ . 1 . 2]" 1
1340 1 58 MET H 1 58 MET ME 3.467 . 4.970 4.198 3.620 5.039 0.069 6 0 "[ . 1 . 2]" 1
1341 1 58 MET H 1 59 MET H 3.814 . 5.632 3.947 3.915 3.994 . 0 0 "[ . 1 . 2]" 1
1342 1 58 MET HA 1 58 MET QB 2.657 . 3.410 2.374 2.345 2.404 . 0 0 "[ . 1 . 2]" 1
1343 1 58 MET HA 1 58 MET ME 2.385 . 3.096 4.189 2.915 4.759 1.663 18 15 "[**-** * *1** ** *+**]" 1
1344 1 58 MET HA 1 58 MET QG 2.529 . 3.329 2.601 2.383 3.040 . 0 0 "[ . 1 . 2]" 1
1345 1 58 MET HA 1 59 MET H 2.341 . 3.026 2.181 2.095 2.206 . 0 0 "[ . 1 . 2]" 1
1346 1 58 MET HA 1 97 MET ME 2.591 . 3.430 2.989 2.420 5.593 2.163 17 1 "[ . 1 . + 2]" 1
1347 1 58 MET QB 1 58 MET ME 2.546 . 3.356 2.349 2.137 3.619 0.263 7 0 "[ . 1 . 2]" 1
1348 1 58 MET QB 1 90 SER QB 3.494 . 5.020 3.948 3.656 4.577 . 0 0 "[ . 1 . 2]" 1
1349 1 58 MET QB 1 91 PHE H 3.162 . 4.412 2.431 2.288 2.657 . 0 0 "[ . 1 . 2]" 1
1350 1 58 MET QB 1 91 PHE QB 3.387 . 4.821 2.712 2.623 2.859 . 0 0 "[ . 1 . 2]" 1
1351 1 58 MET ME 1 59 MET H 2.738 . 3.675 5.658 4.217 6.569 2.894 18 20 [*******-*********+**] 1
1352 1 58 MET ME 1 59 MET HA 3.192 . 5.000 6.429 5.569 7.850 2.850 7 20 [******+-************] 1
1353 1 58 MET ME 1 91 PHE QB 2.942 . 4.024 4.438 2.394 5.392 1.368 18 15 "[***** * *1** ** -+**]" 1
1354 1 58 MET ME 1 91 PHE QD 3.167 . 4.421 5.984 4.153 7.031 2.610 18 15 "[***** * *1** ** -+**]" 1
1355 1 58 MET ME 1 92 ASN HA 2.467 . 5.000 3.153 2.754 3.639 . 0 0 "[ . 1 . 2]" 1
1356 1 58 MET ME 1 93 ASN QB 2.795 . 5.000 5.896 3.926 6.947 1.947 11 15 "[***** - *1+* ** ****]" 1
1357 1 58 MET ME 1 94 ARG QB 2.367 . 5.000 6.463 2.788 8.289 3.289 17 14 "[***** *1** ** +-**]" 1
1358 1 58 MET ME 1 96 VAL QG 2.865 . 5.000 6.812 5.022 7.560 2.560 11 15 "[***** * *1+* ** *-**]" 1
1359 1 58 MET QG 1 94 ARG QD 3.467 . 4.969 5.144 3.284 8.287 3.318 8 8 "[ - . *+ * * .* **2]" 1
1360 1 59 MET H 1 59 MET QB 2.726 . 3.655 2.939 2.714 3.268 . 0 0 "[ . 1 . 2]" 1
1361 1 59 MET H 1 59 MET ME 2.892 . 3.938 5.002 4.196 5.881 1.943 17 14 "[-***.*** 1*** **+* 2]" 1
1362 1 59 MET H 1 59 MET QG 2.999 . 4.123 3.077 2.377 4.174 0.051 2 0 "[ . 1 . 2]" 1
1363 1 59 MET HA 1 59 MET ME 2.906 . 5.000 4.444 3.255 5.390 0.390 5 0 "[ . 1 . 2]" 1
1364 1 59 MET HA 1 59 MET QG 2.532 . 3.333 2.756 2.314 3.439 0.106 5 0 "[ . 1 . 2]" 1
1365 1 59 MET HA 1 60 LEU H 2.330 . 3.009 2.284 2.215 2.354 . 0 0 "[ . 1 . 2]" 1
1366 1 59 MET HA 1 90 SER QB 3.541 . 4.652 4.009 3.706 4.187 . 0 0 "[ . 1 . 2]" 1
1367 1 59 MET HA 1 91 PHE QD 3.066 . 4.241 3.084 2.853 3.578 . 0 0 "[ . 1 . 2]" 1
1368 1 59 MET HA 1 91 PHE QE 3.680 . 5.373 4.730 4.449 5.294 . 0 0 "[ . 1 . 2]" 1
1369 1 59 MET HA 1 97 MET ME 3.814 . 5.632 4.625 4.088 6.769 1.137 17 1 "[ . 1 . + 2]" 1
1370 1 59 MET QB 1 59 MET ME 2.492 . 3.268 2.788 1.956 3.696 0.428 5 0 "[ . 1 . 2]" 1
1371 1 59 MET QB 1 60 LEU H 2.920 . 3.908 2.628 2.430 3.400 . 0 0 "[ . 1 . 2]" 1
1372 1 59 MET QB 1 88 MET ME 2.509 . 3.296 3.881 2.432 6.376 3.080 2 8 "[ +- * * 1** * * 2]" 1
1373 1 59 MET QB 1 88 MET QG 3.053 . 4.218 3.329 2.046 4.933 0.715 10 1 "[ . + . 2]" 1
1374 1 59 MET QB 1 90 SER HA 3.188 . 4.437 3.514 2.954 3.835 . 0 0 "[ . 1 . 2]" 1
1375 1 59 MET QB 2 24 PHE QE 3.600 3.000 4.300 3.070 2.120 5.103 0.880 10 6 "[ * -. * +* * 2]" 1
1376 1 59 MET QB 2 27 LEU QD 4.300 3.500 5.100 5.058 4.048 6.338 1.238 11 3 "[ * 1+ . -]" 1
1377 1 59 MET ME 1 59 MET QG 2.439 . 3.183 2.449 2.285 2.661 . 0 0 "[ . 1 . 2]" 1
1378 1 59 MET ME 1 61 ARG QD 3.225 . 4.525 5.633 3.308 7.698 3.173 18 15 "[****-****1 ** .**+*2]" 1
1379 1 59 MET ME 1 61 ARG QG 3.417 . 4.877 5.529 3.256 8.000 3.123 18 13 "[* ***-***1 ** .**+ 2]" 1
1380 1 59 MET ME 1 88 MET QG 2.654 . 3.535 3.992 2.417 5.216 1.681 5 12 "[****+ * ** * .-** 2]" 1
1381 1 59 MET ME 2 20 ALA MB 3.700 3.000 4.400 3.747 2.924 5.502 1.102 5 1 "[ + 1 . 2]" 1
1382 1 59 MET ME 2 23 ASP QB 3.600 2.900 4.300 4.893 3.531 6.598 2.298 2 12 "[ +**.*** 1* * .***-2]" 1
1383 1 59 MET ME 2 24 PHE QB 3.900 2.200 5.600 5.421 2.394 7.246 1.646 17 8 "[ *-*. * 1 * .*+* 2]" 1
1384 1 59 MET ME 2 24 PHE QE 3.100 2.500 3.700 3.761 1.831 4.808 1.108 20 6 "[ **. * - . * +]" 1
1385 1 59 MET ME 2 27 LEU QD 3.000 2.500 4.500 4.750 3.026 6.720 2.220 2 11 "[ + *.*** 1* * -*** 2]" 1
1386 1 59 MET QG 1 60 LEU H 3.300 . 4.661 3.665 1.916 4.368 0.029 2 0 "[ . 1 . 2]" 1
1387 1 59 MET QG 1 88 MET ME 2.792 . 3.766 4.182 2.962 5.989 2.223 11 8 "[ * * * 1+* - * *2]" 1
1388 1 59 MET QG 1 88 MET QG 2.132 . 2.700 4.130 2.876 6.095 3.395 10 13 "[* ** * +** -*** **]" 1
1389 1 59 MET QG 1 90 SER HA 2.790 . 3.763 3.466 2.312 4.941 1.178 12 7 "[* * -1*+ . **]" 1
1390 1 59 MET QG 1 90 SER QB 3.002 . 4.129 4.276 2.443 6.280 2.151 12 8 "[*- * *1*+ . **]" 1
1391 1 59 MET QG 1 91 PHE QD 3.244 . 5.560 5.129 4.554 5.843 0.283 5 0 "[ . 1 . 2]" 1
1392 1 59 MET QG 2 24 PHE QE 4.200 3.400 5.000 3.486 1.604 5.357 1.796 19 5 "[* . *1 * . +-]" 1
1393 1 60 LEU H 1 60 LEU QB 2.750 . 3.695 2.546 2.467 2.608 . 0 0 "[ . 1 . 2]" 1
1394 1 60 LEU H 1 60 LEU QD 3.437 . 4.913 3.991 3.959 4.034 . 0 0 "[ . 1 . 2]" 1
1395 1 60 LEU H 1 61 ARG H 3.455 . 4.948 4.152 4.114 4.219 . 0 0 "[ . 1 . 2]" 1
1396 1 60 LEU H 1 91 PHE QD 3.309 . 4.678 3.456 3.311 3.707 . 0 0 "[ . 1 . 2]" 1
1397 1 60 LEU H 1 91 PHE QE 3.102 . 4.305 3.804 3.445 4.404 0.099 20 0 "[ . 1 . 2]" 1
1398 1 60 LEU HA 1 60 LEU QB 2.603 . 3.450 2.302 2.272 2.347 . 0 0 "[ . 1 . 2]" 1
1399 1 60 LEU HA 1 60 LEU QD 2.763 . 2.874 2.284 2.100 2.768 . 0 0 "[ . 1 . 2]" 1
1400 1 60 LEU HA 1 60 LEU HG 3.187 . 4.456 3.177 2.731 3.289 . 0 0 "[ . 1 . 2]" 1
1401 1 60 LEU HA 1 61 ARG H 2.254 . 2.889 2.166 2.147 2.179 . 0 0 "[ . 1 . 2]" 1
1402 1 60 LEU HA 1 97 MET ME 3.246 . 4.563 4.949 4.265 5.333 0.770 20 5 "[ * * 1- . * +]" 1
1403 1 60 LEU HA 2 24 PHE QE 4.000 3.300 4.700 4.327 3.811 5.879 1.179 2 2 "[ + - 1 . 2]" 1
1404 1 60 LEU QB 1 60 LEU QD 2.056 . 2.585 1.950 1.876 1.975 0.124 20 0 "[ . 1 . 2]" 1
1405 1 60 LEU QB 1 60 LEU HG 2.475 . 3.241 2.422 2.368 2.529 . 0 0 "[ . 1 . 2]" 1
1406 1 60 LEU QB 1 61 ARG H 3.110 . 4.319 3.846 3.813 3.875 . 0 0 "[ . 1 . 2]" 1
1407 1 60 LEU QB 1 88 MET HA 3.405 . 4.855 4.755 4.615 4.924 0.069 18 0 "[ . 1 . 2]" 1
1408 1 60 LEU QB 1 89 PHE HA 3.767 . 5.540 4.871 4.701 5.027 . 0 0 "[ . 1 . 2]" 1
1409 1 60 LEU QB 1 89 PHE HB2 3.581 . 4.921 2.331 2.184 2.460 . 0 0 "[ . 1 . 2]" 1
1410 1 60 LEU QB 1 91 PHE QD 3.917 . 5.835 2.994 2.281 3.228 . 0 0 "[ . 1 . 2]" 1
1411 1 60 LEU QB 1 91 PHE QE 3.052 . 4.132 1.955 1.744 2.328 0.143 7 0 "[ . 1 . 2]" 1
1412 1 60 LEU QB 1 91 PHE HZ 3.659 . 5.173 3.472 3.039 4.065 . 0 0 "[ . 1 . 2]" 1
1413 1 60 LEU QB 1 97 MET ME 3.069 . 4.581 3.971 3.689 4.735 0.154 17 0 "[ . 1 . 2]" 1
1414 1 60 LEU MD1 1 60 LEU MD2 1.819 . 2.233 2.034 2.025 2.044 . 0 0 "[ . 1 . 2]" 1
1415 1 60 LEU QD 1 60 LEU HG 1.991 . 2.487 1.880 1.876 1.884 . 0 0 "[ . 1 . 2]" 1
1416 1 60 LEU QD 1 61 ARG H 3.101 . 4.303 2.765 2.460 3.642 . 0 0 "[ . 1 . 2]" 1
1417 1 60 LEU QD 1 88 MET HA 3.444 . 4.927 5.008 4.708 5.199 0.272 10 0 "[ . 1 . 2]" 1
1418 1 60 LEU QD 1 89 PHE H 3.526 . 5.080 4.321 3.971 4.524 . 0 0 "[ . 1 . 2]" 1
1419 1 60 LEU QD 1 89 PHE HB2 3.227 . 4.529 3.078 2.761 3.458 . 0 0 "[ . 1 . 2]" 1
1420 1 60 LEU QD 1 89 PHE QD 2.777 . 3.741 3.147 2.480 3.602 . 0 0 "[ . 1 . 2]" 1
1421 1 60 LEU QD 1 89 PHE QE 2.668 . 3.558 4.310 3.632 4.777 1.219 3 15 "[**+** -******** *2]" 1
1422 1 60 LEU QD 1 91 PHE QE 2.980 . 3.501 2.486 1.895 2.777 . 0 0 "[ . 1 . 2]" 1
1423 1 60 LEU QD 1 91 PHE HZ 2.895 . 3.595 2.345 1.981 2.898 0.019 6 0 "[ . 1 . 2]" 1
1424 1 60 LEU QD 1 97 MET HA 3.095 . 4.115 2.755 2.550 2.912 . 0 0 "[ . 1 . 2]" 1
1425 1 60 LEU QD 1 97 MET ME 2.276 . 5.000 4.280 3.838 4.605 . 0 0 "[ . 1 . 2]" 1
1426 1 60 LEU QD 1 98 ASP HA 3.644 . 5.303 4.530 4.235 4.709 . 0 0 "[ . 1 . 2]" 1
1427 1 60 LEU QD 1 100 ILE HG12 2.586 . 4.422 4.329 4.149 4.620 0.198 20 0 "[ . 1 . 2]" 1
1428 1 60 LEU QD 1 100 ILE MG 2.189 . 2.721 2.377 2.176 2.530 . 0 0 "[ . 1 . 2]" 1
1429 1 60 LEU QD 1 101 LYS H 3.503 . 4.104 3.089 2.872 3.222 . 0 0 "[ . 1 . 2]" 1
1430 1 60 LEU QD 1 101 LYS HA 2.787 . 3.758 3.142 2.957 3.304 . 0 0 "[ . 1 . 2]" 1
1431 1 60 LEU QD 1 101 LYS QD 2.428 . 3.165 2.902 2.698 3.437 0.272 18 0 "[ . 1 . 2]" 1
1432 1 60 LEU QD 1 101 LYS QE 3.454 . 4.945 4.086 3.810 4.372 . 0 0 "[ . 1 . 2]" 1
1433 1 60 LEU QD 1 102 MET H 3.636 . 5.288 4.991 4.813 5.155 . 0 0 "[ . 1 . 2]" 1
1434 1 60 LEU HG 1 61 ARG H 3.129 . 4.353 3.363 3.000 3.542 . 0 0 "[ . 1 . 2]" 1
1435 1 60 LEU HG 1 91 PHE QD 3.592 . 5.205 5.675 5.170 5.961 0.756 18 9 "[ * *.* * * * -. *+ 2]" 1
1436 1 60 LEU HG 1 91 PHE QE 2.821 . 5.000 4.106 3.840 4.622 . 0 0 "[ . 1 . 2]" 1
1437 1 60 LEU HG 1 91 PHE HZ 3.554 . 5.132 5.011 4.439 5.827 0.695 16 2 "[ . 1 .+ -]" 1
1438 1 61 ARG H 1 61 ARG QB 2.837 . 3.843 2.430 2.351 2.544 . 0 0 "[ . 1 . 2]" 1
1439 1 61 ARG H 1 62 LEU H 2.911 . 5.000 4.523 4.502 4.541 . 0 0 "[ . 1 . 2]" 1
1440 1 61 ARG H 1 88 MET HA 3.644 . 5.304 4.329 4.251 4.418 . 0 0 "[ . 1 . 2]" 1
1441 1 61 ARG HA 1 61 ARG QD 3.518 . 5.065 3.997 3.499 4.328 . 0 0 "[ . 1 . 2]" 1
1442 1 61 ARG HA 1 61 ARG QG 2.878 . 3.636 2.389 2.188 2.554 . 0 0 "[ . 1 . 2]" 1
1443 1 61 ARG HA 1 62 LEU H 2.459 . 3.215 2.201 2.166 2.234 . 0 0 "[ . 1 . 2]" 1
1444 1 61 ARG HA 1 88 MET HA 2.364 . 3.063 2.043 1.993 2.066 . 0 0 "[ . 1 . 2]" 1
1445 1 61 ARG HA 1 88 MET QB 3.343 . 4.429 3.651 3.334 3.976 . 0 0 "[ . 1 . 2]" 1
1446 1 61 ARG HA 1 88 MET ME 3.059 . 5.000 5.406 4.406 6.176 1.176 20 10 "[ * . * 1- **** **+]" 1
1447 1 61 ARG HA 1 88 MET QG 2.937 . 4.015 3.201 2.471 3.709 . 0 0 "[ . 1 . 2]" 1
1448 1 61 ARG HA 1 89 PHE H 2.945 . 4.029 3.559 3.376 3.704 . 0 0 "[ . 1 . 2]" 1
1449 1 61 ARG QB 1 61 ARG QD 3.072 . 3.785 2.234 2.068 2.499 . 0 0 "[ . 1 . 2]" 1
1450 1 61 ARG QB 1 61 ARG QG 2.770 . 3.503 2.072 2.043 2.084 . 0 0 "[ . 1 . 2]" 1
1451 1 61 ARG QB 1 62 LEU H 2.987 . 4.102 3.081 2.689 3.522 . 0 0 "[ . 1 . 2]" 1
1452 1 61 ARG QB 1 88 MET HA 3.620 . 4.694 3.737 3.434 3.983 . 0 0 "[ . 1 . 2]" 1
1453 1 61 ARG QB 1 88 MET ME 3.090 . 5.000 5.009 3.032 6.328 1.328 16 9 "[ * . * 1 ***+ -**]" 1
1454 1 61 ARG QB 1 88 MET QG 3.465 . 4.966 3.344 1.999 4.371 0.001 12 0 "[ . 1 . 2]" 1
1455 1 61 ARG QB 2 24 PHE QE 3.800 3.000 4.600 3.617 2.672 5.052 0.452 2 0 "[ . 1 . 2]" 1
1456 1 61 ARG QD 1 61 ARG QG 2.704 . 3.576 2.029 1.966 2.091 . 0 0 "[ . 1 . 2]" 1
1457 1 61 ARG QD 1 88 MET QB 3.486 . 4.843 4.254 3.325 5.955 1.112 11 3 "[ . *1+- . 2]" 1
1458 1 61 ARG QD 1 88 MET ME 2.984 . 4.007 4.313 2.007 6.017 2.010 9 11 "[ * . * +1*-**.* ***]" 1
1459 1 61 ARG QD 1 88 MET QG 2.929 . 4.002 3.482 1.826 4.740 0.738 18 1 "[ . 1 . + 2]" 1
1460 1 61 ARG QD 2 24 PHE QE 4.100 3.600 4.900 3.668 2.385 4.930 1.215 2 4 "[ + -. * * . 2]" 1
1461 1 61 ARG QG 1 63 ILE MD 2.572 . 5.000 4.794 3.584 5.982 0.982 14 9 "[ * . * * *+-* **]" 1
1462 1 61 ARG QG 1 88 MET HA 3.391 . 4.559 3.109 2.514 3.776 . 0 0 "[ . 1 . 2]" 1
1463 1 61 ARG QG 1 88 MET QG 3.493 . 5.018 2.473 1.712 4.198 0.256 2 0 "[ . 1 . 2]" 1
1464 1 62 LEU H 1 62 LEU HB3 2.996 . 4.118 3.636 3.562 3.771 . 0 0 "[ . 1 . 2]" 1
1465 1 62 LEU H 1 62 LEU QD 2.919 . 4.213 3.158 2.766 3.545 . 0 0 "[ . 1 . 2]" 1
1466 1 62 LEU H 1 62 LEU HG 3.128 . 5.000 4.131 2.663 4.678 . 0 0 "[ . 1 . 2]" 1
1467 1 62 LEU H 1 87 HIS H 2.925 . 3.995 2.354 2.026 2.667 . 0 0 "[ . 1 . 2]" 1
1468 1 62 LEU H 1 87 HIS QB 3.422 . 4.886 3.179 2.755 3.362 . 0 0 "[ . 1 . 2]" 1
1469 1 62 LEU H 1 88 MET HA 3.157 . 4.402 3.554 3.405 3.657 . 0 0 "[ . 1 . 2]" 1
1470 1 62 LEU HA 1 62 LEU HB2 2.630 . 3.494 2.994 2.975 3.021 . 0 0 "[ . 1 . 2]" 1
1471 1 62 LEU HA 1 62 LEU HB3 2.802 . 3.783 2.599 2.359 2.671 . 0 0 "[ . 1 . 2]" 1
1472 1 62 LEU HA 1 62 LEU QD 2.842 . 3.183 2.145 1.907 2.990 . 0 0 "[ . 1 . 2]" 1
1473 1 62 LEU HA 1 62 LEU HG 2.574 . 5.000 3.452 2.426 3.762 . 0 0 "[ . 1 . 2]" 1
1474 1 62 LEU HA 1 63 ILE H 2.354 . 3.047 2.152 2.128 2.189 . 0 0 "[ . 1 . 2]" 1
1475 1 62 LEU HB2 1 62 LEU QD 2.205 . 2.813 2.267 2.080 2.365 . 0 0 "[ . 1 . 2]" 1
1476 1 62 LEU HB2 1 62 LEU HG 2.499 . 3.279 2.504 2.347 2.972 . 0 0 "[ . 1 . 2]" 1
1477 1 62 LEU HB2 1 63 ILE H 2.991 . 5.000 4.476 4.241 4.551 . 0 0 "[ . 1 . 2]" 1
1478 1 62 LEU HB2 1 87 HIS QB 3.418 . 4.879 1.791 1.638 1.904 0.319 19 0 "[ . 1 . 2]" 1
1479 1 62 LEU HB2 1 89 PHE QE 3.419 . 4.880 3.386 3.057 3.899 . 0 0 "[ . 1 . 2]" 1
1480 1 62 LEU HB3 1 62 LEU QD 2.318 . 2.989 2.260 2.138 2.356 . 0 0 "[ . 1 . 2]" 1
1481 1 62 LEU HB3 1 62 LEU HG 2.323 . 2.997 2.613 2.373 3.020 0.023 15 0 "[ . 1 . 2]" 1
1482 1 62 LEU HB3 1 63 ILE H 2.578 . 5.000 3.728 3.564 3.807 . 0 0 "[ . 1 . 2]" 1
1483 1 62 LEU HB3 1 87 HIS H 3.265 . 4.598 3.708 3.410 4.161 . 0 0 "[ . 1 . 2]" 1
1484 1 62 LEU HB3 1 87 HIS HA 3.805 . 5.615 5.739 5.534 6.247 0.632 5 1 "[ + 1 . 2]" 1
1485 1 62 LEU HB3 1 87 HIS QB 3.168 . 3.925 3.010 2.737 3.511 . 0 0 "[ . 1 . 2]" 1
1486 1 62 LEU HB3 1 87 HIS HD2 3.243 . 4.558 2.892 2.022 3.430 . 0 0 "[ . 1 . 2]" 1
1487 1 62 LEU MD1 1 62 LEU MD2 1.714 . 2.081 2.084 2.080 2.087 0.006 6 0 "[ . 1 . 2]" 1
1488 1 62 LEU QD 1 62 LEU HG 2.042 . 2.563 1.885 1.883 1.887 . 0 0 "[ . 1 . 2]" 1
1489 1 62 LEU QD 1 63 ILE H 2.730 . 5.000 3.589 3.180 4.404 . 0 0 "[ . 1 . 2]" 1
1490 1 62 LEU QD 1 87 HIS H 3.588 . 5.197 4.231 4.002 4.356 . 0 0 "[ . 1 . 2]" 1
1491 1 62 LEU QD 1 87 HIS QB 3.048 . 4.209 2.955 1.967 3.329 0.001 5 0 "[ . 1 . 2]" 1
1492 1 62 LEU QD 1 101 LYS HA 2.659 . 5.059 4.313 4.044 5.009 . 0 0 "[ . 1 . 2]" 1
1493 1 62 LEU QD 1 104 LEU HB2 2.368 . 5.000 4.056 3.869 4.779 . 0 0 "[ . 1 . 2]" 1
1494 1 62 LEU QD 1 104 LEU HB3 2.455 . 4.208 3.320 3.088 3.993 . 0 0 "[ . 1 . 2]" 1
1495 1 62 LEU QD 1 104 LEU QD 2.213 . 2.825 1.897 1.765 2.499 . 0 0 "[ . 1 . 2]" 1
1496 1 62 LEU HG 1 87 HIS QB 3.418 . 4.876 3.586 2.848 4.445 . 0 0 "[ . 1 . 2]" 1
1497 1 62 LEU HG 1 89 PHE QE 3.339 . 4.733 3.182 2.541 4.721 . 0 0 "[ . 1 . 2]" 1
1498 1 62 LEU HG 1 104 LEU QD 2.747 . 3.690 3.401 2.930 4.289 0.599 5 1 "[ + 1 . 2]" 1
1499 1 63 ILE H 1 63 ILE MD 3.197 . 4.475 3.758 3.398 4.104 . 0 0 "[ . 1 . 2]" 1
1500 1 63 ILE H 1 63 ILE QG 2.977 . 4.085 2.471 2.216 2.698 . 0 0 "[ . 1 . 2]" 1
1501 1 63 ILE H 1 64 GLY H 3.303 . 4.667 4.553 4.457 4.605 . 0 0 "[ . 1 . 2]" 1
1502 1 63 ILE HA 1 63 ILE HB 2.829 . 3.829 3.022 3.016 3.028 . 0 0 "[ . 1 . 2]" 1
1503 1 63 ILE HA 1 63 ILE MD 2.389 . 3.102 3.768 2.193 3.982 0.880 6 17 "[-* *+***1**********]" 1
1504 1 63 ILE HA 1 63 ILE QG 2.861 . 3.884 2.517 2.370 3.001 . 0 0 "[ . 1 . 2]" 1
1505 1 63 ILE HA 1 64 GLY H 2.375 . 3.080 2.196 2.140 2.267 . 0 0 "[ . 1 . 2]" 1
1506 1 63 ILE HA 1 85 GLN HA 3.683 . 5.378 5.418 5.333 5.472 0.094 19 0 "[ . 1 . 2]" 1
1507 1 63 ILE HA 1 86 ARG HA 2.478 . 3.245 2.205 2.155 2.246 . 0 0 "[ . 1 . 2]" 1
1508 1 63 ILE HA 1 86 ARG QG 2.877 . 3.912 2.508 1.939 5.207 1.295 4 1 "[ +. 1 . 2]" 1
1509 1 63 ILE HA 1 87 HIS H 3.345 . 4.744 3.659 3.473 3.793 . 0 0 "[ . 1 . 2]" 1
1510 1 63 ILE HB 1 63 ILE MD 2.246 . 2.877 2.535 2.384 3.237 0.360 4 0 "[ . 1 . 2]" 1
1511 1 63 ILE HB 1 63 ILE QG 2.646 . 3.278 2.352 2.176 2.430 . 0 0 "[ . 1 . 2]" 1
1512 1 63 ILE HB 1 63 ILE MG 2.001 . 2.502 2.123 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
1513 1 63 ILE HB 1 64 GLY H 3.196 . 4.473 4.091 3.929 4.250 . 0 0 "[ . 1 . 2]" 1
1514 1 63 ILE HB 1 86 ARG HA 3.235 . 5.000 5.145 5.107 5.192 0.192 20 0 "[ . 1 . 2]" 1
1515 1 63 ILE MD 1 63 ILE QG 2.050 . 2.274 1.878 1.861 1.884 . 0 0 "[ . 1 . 2]" 1
1516 1 63 ILE MD 1 63 ILE MG 2.128 . 5.000 1.911 1.703 2.016 0.297 10 0 "[ . 1 . 2]" 1
1517 1 63 ILE MD 1 64 GLY H 3.480 . 4.994 4.932 3.719 5.188 0.194 6 0 "[ . 1 . 2]" 1
1518 1 63 ILE MD 1 86 ARG HA 2.912 . 3.972 4.971 2.354 5.349 1.377 18 18 "[**- *****1*******+**]" 1
1519 1 63 ILE MD 1 86 ARG QB 2.355 . 5.000 4.281 2.141 4.739 . 0 0 "[ . 1 . 2]" 1
1520 1 63 ILE MD 1 86 ARG QD 2.534 . 3.337 3.401 2.418 4.224 0.887 4 4 "[ +** 1 - . 2]" 1
1521 1 63 ILE MD 1 87 HIS H 3.684 . 5.380 6.005 3.601 6.294 0.914 7 17 "[-* **+**1**********]" 1
1522 1 63 ILE QG 1 63 ILE MG 2.260 . 2.899 2.328 2.215 2.581 . 0 0 "[ . 1 . 2]" 1
1523 1 63 ILE QG 1 86 ARG HA 3.042 . 4.199 3.630 3.394 4.162 . 0 0 "[ . 1 . 2]" 1
1524 1 63 ILE MG 1 64 GLY H 2.733 . 3.667 2.572 2.271 2.826 . 0 0 "[ . 1 . 2]" 1
1525 1 63 ILE MG 1 84 PRO HB3 2.715 . 3.636 3.321 3.037 3.672 0.036 9 0 "[ . 1 . 2]" 1
1526 1 63 ILE MG 1 84 PRO QD 3.779 . 5.564 4.432 3.792 4.741 . 0 0 "[ . 1 . 2]" 1
1527 1 63 ILE MG 1 84 PRO HG2 2.605 . 3.453 3.027 2.125 3.609 0.156 14 0 "[ . 1 . 2]" 1
1528 1 63 ILE MG 1 86 ARG HA 2.918 . 3.982 4.002 3.859 4.198 0.216 17 0 "[ . 1 . 2]" 1
1529 1 63 ILE MG 1 86 ARG QD 3.191 . 4.464 3.923 2.579 6.450 1.986 4 1 "[ +. 1 . 2]" 1
1530 1 64 GLY H 1 64 GLY HA2 2.853 . 3.870 2.910 2.891 2.931 . 0 0 "[ . 1 . 2]" 1
1531 1 64 GLY H 1 64 GLY HA3 2.642 . 3.515 2.346 2.322 2.381 . 0 0 "[ . 1 . 2]" 1
1532 1 64 GLY H 1 65 LYS H 3.406 . 4.856 4.569 4.537 4.599 . 0 0 "[ . 1 . 2]" 1
1533 1 64 GLY H 1 84 PRO HB2 3.903 . 5.807 2.953 2.475 3.999 . 0 0 "[ . 1 . 2]" 1
1534 1 64 GLY H 1 85 GLN H 3.695 . 5.402 3.313 2.926 3.648 . 0 0 "[ . 1 . 2]" 1
1535 1 64 GLY H 1 85 GLN HB2 3.196 . 4.473 4.294 3.215 5.367 0.894 11 3 "[ * . 1+ . - 2]" 1
1536 1 64 GLY H 1 86 ARG HA 3.266 . 4.599 3.311 3.095 3.637 . 0 0 "[ . 1 . 2]" 1
1537 1 64 GLY HA3 1 65 LYS H 2.603 . 3.450 2.756 2.630 3.037 . 0 0 "[ . 1 . 2]" 1
1538 1 64 GLY HA3 1 85 GLN H 3.270 . 4.607 3.206 2.475 3.764 . 0 0 "[ . 1 . 2]" 1
1539 1 64 GLY HA3 1 85 GLN HB2 3.250 . 4.570 3.669 2.322 4.869 0.299 11 0 "[ . 1 . 2]" 1
1540 1 65 LYS H 1 65 LYS HA 2.544 . 3.353 2.881 2.780 2.906 . 0 0 "[ . 1 . 2]" 1
1541 1 65 LYS H 1 65 LYS QB 2.750 . 3.320 2.274 2.149 2.308 . 0 0 "[ . 1 . 2]" 1
1542 1 65 LYS H 1 65 LYS QD 3.288 . 4.639 4.420 3.861 4.611 . 0 0 "[ . 1 . 2]" 1
1543 1 65 LYS H 1 65 LYS QG 2.934 . 3.613 3.911 2.975 3.975 0.362 11 0 "[ . 1 . 2]" 1
1544 1 65 LYS H 1 66 VAL H 3.314 . 4.687 4.445 4.298 4.629 . 0 0 "[ . 1 . 2]" 1
1545 1 65 LYS HA 1 65 LYS QB 2.455 . 3.208 2.358 2.306 2.485 . 0 0 "[ . 1 . 2]" 1
1546 1 65 LYS HA 1 65 LYS QD 2.877 . 4.312 3.985 3.893 4.235 . 0 0 "[ . 1 . 2]" 1
1547 1 65 LYS HA 1 65 LYS QE 3.380 . 5.000 4.587 3.994 5.040 0.040 16 0 "[ . 1 . 2]" 1
1548 1 65 LYS HA 1 65 LYS QG 2.568 . 3.392 2.396 2.256 2.511 . 0 0 "[ . 1 . 2]" 1
1549 1 65 LYS HA 1 66 VAL H 2.112 . 2.669 2.118 2.050 2.215 . 0 0 "[ . 1 . 2]" 1
1550 1 65 LYS QB 1 65 LYS QD 2.537 . 3.180 2.137 2.100 2.222 . 0 0 "[ . 1 . 2]" 1
1551 1 65 LYS QB 1 65 LYS QE 2.950 . 4.334 3.322 2.059 3.650 . 0 0 "[ . 1 . 2]" 1
1552 1 65 LYS QB 1 65 LYS QG 2.671 . 3.427 2.076 2.065 2.085 . 0 0 "[ . 1 . 2]" 1
1553 1 65 LYS QB 1 66 VAL H 2.596 . 3.438 3.733 3.166 3.821 0.383 11 0 "[ . 1 . 2]" 1
1554 1 65 LYS QE 1 65 LYS QG 2.554 . 3.183 2.193 2.073 2.344 . 0 0 "[ . 1 . 2]" 1
1555 1 65 LYS QE 1 111 TYR QB 2.639 . 5.000 5.708 3.885 6.809 1.809 20 14 "[**- * ***1****.* *+]" 1
1556 1 65 LYS QG 1 66 VAL H 3.387 . 3.943 2.884 2.483 3.584 . 0 0 "[ . 1 . 2]" 1
1557 1 66 VAL H 1 66 VAL HA 2.638 . 3.508 2.926 2.906 2.939 . 0 0 "[ . 1 . 2]" 1
1558 1 66 VAL H 1 66 VAL QG 2.467 . 3.589 2.712 1.960 3.114 0.040 17 0 "[ . 1 . 2]" 1
1559 1 66 VAL H 1 67 ASP H 3.173 . 4.431 4.439 4.389 4.489 0.058 17 0 "[ . 1 . 2]" 1
1560 1 66 VAL HA 1 66 VAL HB 2.321 . 2.994 2.937 2.413 3.031 0.037 6 0 "[ . 1 . 2]" 1
1561 1 66 VAL HA 1 66 VAL QG 2.210 . 2.821 2.125 2.062 2.346 . 0 0 "[ . 1 . 2]" 1
1562 1 66 VAL HA 1 67 ASP H 2.217 . 2.831 2.177 2.121 2.252 . 0 0 "[ . 1 . 2]" 1
1563 1 66 VAL HA 1 67 ASP HA 3.430 . 4.901 4.391 4.365 4.410 . 0 0 "[ . 1 . 2]" 1
1564 1 66 VAL HA 1 84 PRO HB3 3.130 . 5.000 4.672 4.331 5.179 0.179 19 0 "[ . 1 . 2]" 1
1565 1 66 VAL HB 1 66 VAL QG 1.938 . 2.328 1.889 1.867 1.896 . 0 0 "[ . 1 . 2]" 1
1566 1 66 VAL HB 1 67 ASP H 2.979 . 4.089 4.115 3.763 4.181 0.092 4 0 "[ . 1 . 2]" 1
1567 1 66 VAL HB 1 68 GLU QG 2.908 . 3.965 4.155 2.465 6.538 2.573 9 7 "[ ** -+1 ** * 2]" 1
1568 1 66 VAL QG 1 67 ASP H 2.866 . 3.893 2.484 2.367 2.612 . 0 0 "[ . 1 . 2]" 1
1569 1 66 VAL QG 1 67 ASP HA 3.240 . 4.552 3.616 3.432 3.976 . 0 0 "[ . 1 . 2]" 1
1570 1 66 VAL QG 1 82 PRO QD 3.160 . 4.408 4.318 4.058 4.654 0.246 9 0 "[ . 1 . 2]" 1
1571 1 66 VAL QG 1 83 LYS H 3.440 . 4.919 4.211 3.687 4.568 . 0 0 "[ . 1 . 2]" 1
1572 1 66 VAL QG 1 83 LYS HA 3.216 . 4.509 3.046 2.712 3.387 . 0 0 "[ . 1 . 2]" 1
1573 1 66 VAL QG 1 84 PRO HA 2.653 . 3.533 2.087 1.704 2.895 0.091 15 0 "[ . 1 . 2]" 1
1574 1 66 VAL QG 1 84 PRO HB3 2.751 . 3.697 2.417 1.874 3.344 . 0 0 "[ . 1 . 2]" 1
1575 1 66 VAL QG 1 84 PRO QD 2.983 . 4.095 2.525 2.061 2.904 . 0 0 "[ . 1 . 2]" 1
1576 1 66 VAL QG 1 84 PRO HG2 2.683 . 5.000 4.171 3.853 4.558 . 0 0 "[ . 1 . 2]" 1
1577 1 66 VAL QG 1 85 GLN H 3.502 . 5.035 3.434 2.771 4.385 . 0 0 "[ . 1 . 2]" 1
1578 1 67 ASP H 1 67 ASP HB2 2.774 . 3.736 2.783 2.636 2.903 . 0 0 "[ . 1 . 2]" 1
1579 1 67 ASP H 1 67 ASP HB3 2.690 . 3.594 2.575 2.483 2.664 . 0 0 "[ . 1 . 2]" 1
1580 1 67 ASP HA 1 67 ASP HB2 2.323 . 2.998 2.501 2.464 2.531 . 0 0 "[ . 1 . 2]" 1
1581 1 67 ASP HA 1 67 ASP HB3 2.376 . 3.082 3.033 3.028 3.039 . 0 0 "[ . 1 . 2]" 1
1582 1 67 ASP HA 1 68 GLU H 2.061 . 2.592 2.207 2.140 2.290 . 0 0 "[ . 1 . 2]" 1
1583 1 67 ASP HB2 1 68 GLU H 3.403 . 4.850 4.538 4.435 4.613 . 0 0 "[ . 1 . 2]" 1
1584 1 67 ASP HB2 1 70 LYS QB 3.630 . 5.277 5.266 4.939 5.528 0.251 9 0 "[ . 1 . 2]" 1
1585 1 67 ASP HB2 1 70 LYS QG 3.624 . 5.084 4.590 4.250 4.998 . 0 0 "[ . 1 . 2]" 1
1586 1 67 ASP HB3 1 68 GLU H 3.710 . 5.431 4.429 4.356 4.484 . 0 0 "[ . 1 . 2]" 1
1587 1 67 ASP HB3 1 70 LYS H 3.924 . 5.849 4.248 3.828 4.694 . 0 0 "[ . 1 . 2]" 1
1588 1 67 ASP HB3 1 70 LYS QG 3.381 . 4.810 3.498 2.790 4.210 . 0 0 "[ . 1 . 2]" 1
1589 1 68 GLU H 1 68 GLU HA 2.567 . 3.391 2.890 2.813 2.908 . 0 0 "[ . 1 . 2]" 1
1590 1 68 GLU H 1 68 GLU HB2 2.464 . 3.223 2.823 2.297 3.670 0.447 14 0 "[ . 1 . 2]" 1
1591 1 68 GLU H 1 68 GLU HB3 2.738 . 3.675 3.277 2.505 3.634 . 0 0 "[ . 1 . 2]" 1
1592 1 68 GLU H 1 68 GLU QG 3.018 . 4.156 2.446 2.070 2.803 . 0 0 "[ . 1 . 2]" 1
1593 1 68 GLU H 1 69 SER H 2.624 . 3.484 2.549 2.446 2.821 . 0 0 "[ . 1 . 2]" 1
1594 1 68 GLU H 1 70 LYS H 3.785 . 5.576 4.370 4.243 4.490 . 0 0 "[ . 1 . 2]" 1
1595 1 68 GLU HA 1 68 GLU HB2 2.366 . 3.066 2.808 2.398 3.031 . 0 0 "[ . 1 . 2]" 1
1596 1 68 GLU HA 1 68 GLU HB3 2.274 . 2.920 2.519 2.460 2.589 . 0 0 "[ . 1 . 2]" 1
1597 1 68 GLU HA 1 68 GLU QG 2.691 . 3.067 2.713 2.295 3.364 0.297 8 0 "[ . 1 . 2]" 1
1598 1 68 GLU HA 1 69 SER H 2.803 . 3.785 3.301 3.285 3.333 . 0 0 "[ . 1 . 2]" 1
1599 1 68 GLU HA 1 69 SER HA 2.568 . 5.000 4.738 4.697 4.782 . 0 0 "[ . 1 . 2]" 1
1600 1 68 GLU HA 1 70 LYS H 3.447 . 4.932 3.381 3.151 3.776 . 0 0 "[ . 1 . 2]" 1
1601 1 68 GLU HA 1 70 LYS QG 2.676 . 3.876 5.442 5.014 5.798 1.922 16 20 [********-******+****] 1
1602 1 68 GLU HA 1 81 VAL QG 2.791 . 3.765 2.876 2.485 3.521 . 0 0 "[ . 1 . 2]" 1
1603 1 68 GLU HB2 1 68 GLU QG 2.161 . 2.745 2.347 2.287 2.401 . 0 0 "[ . 1 . 2]" 1
1604 1 68 GLU HB2 1 69 SER H 3.354 . 4.760 3.852 3.485 4.390 . 0 0 "[ . 1 . 2]" 1
1605 1 68 GLU HB2 1 81 VAL QG 3.539 . 5.105 3.566 2.174 4.746 . 0 0 "[ . 1 . 2]" 1
1606 1 68 GLU HB3 1 68 GLU QG . . 5.000 2.353 2.304 2.411 . 0 0 "[ . 1 . 2]" 1
1607 1 68 GLU HB3 1 69 SER H 3.461 . 4.959 4.263 4.139 4.391 . 0 0 "[ . 1 . 2]" 1
1608 1 68 GLU QG 1 83 LYS HA 3.333 . 4.722 5.307 2.903 7.759 3.037 18 7 "[ ** **1 *- + 2]" 1
1609 1 69 SER H 1 69 SER HA 2.568 . 3.392 2.877 2.846 2.895 . 0 0 "[ . 1 . 2]" 1
1610 1 69 SER H 1 69 SER HB2 2.594 . 5.000 3.619 3.551 3.648 . 0 0 "[ . 1 . 2]" 1
1611 1 69 SER H 1 69 SER HB3 2.556 . 3.372 2.533 2.274 2.634 . 0 0 "[ . 1 . 2]" 1
1612 1 69 SER H 1 70 LYS H 2.669 . 3.560 2.515 2.423 2.593 . 0 0 "[ . 1 . 2]" 1
1613 1 69 SER HA 1 69 SER HB2 2.036 . 2.554 2.402 2.310 2.438 . 0 0 "[ . 1 . 2]" 1
1614 1 69 SER HA 1 69 SER HB3 1.970 . 2.455 2.525 2.482 2.654 0.199 11 0 "[ . 1 . 2]" 1
1615 1 69 SER HA 1 70 LYS H 2.706 . 3.621 3.354 3.238 3.474 . 0 0 "[ . 1 . 2]" 1
1616 1 69 SER HA 1 71 LYS QG 3.640 . 5.296 3.647 2.767 6.196 0.900 18 1 "[ . 1 . + 2]" 1
1617 1 69 SER HB2 1 70 LYS H 3.565 . 5.153 4.281 4.144 4.448 . 0 0 "[ . 1 . 2]" 1
1618 1 69 SER HB3 1 70 LYS H 3.556 . 5.137 4.195 3.928 4.366 . 0 0 "[ . 1 . 2]" 1
1619 1 70 LYS H 1 70 LYS HA 2.688 . 3.591 2.914 2.874 2.948 . 0 0 "[ . 1 . 2]" 1
1620 1 70 LYS H 1 70 LYS QB 2.880 . 3.342 2.341 2.230 2.476 . 0 0 "[ . 1 . 2]" 1
1621 1 70 LYS H 1 70 LYS QG 3.041 . 4.197 2.673 2.515 2.892 . 0 0 "[ . 1 . 2]" 1
1622 1 70 LYS HA 1 70 LYS QB 2.227 . 2.847 2.415 2.363 2.446 . 0 0 "[ . 1 . 2]" 1
1623 1 70 LYS HA 1 70 LYS QD 2.406 . 5.000 4.020 3.991 4.064 . 0 0 "[ . 1 . 2]" 1
1624 1 70 LYS HA 1 70 LYS QE 3.266 . 4.600 4.613 4.548 4.688 0.088 11 0 "[ . 1 . 2]" 1
1625 1 70 LYS HA 1 70 LYS QG 2.424 . 5.000 2.376 2.331 2.454 . 0 0 "[ . 1 . 2]" 1
1626 1 70 LYS HA 1 71 LYS H 2.099 . 5.000 2.708 2.110 2.985 . 0 0 "[ . 1 . 2]" 1
1627 1 70 LYS QB 1 70 LYS QD 2.228 . 2.849 2.166 2.157 2.176 . 0 0 "[ . 1 . 2]" 1
1628 1 70 LYS QB 1 70 LYS QE 2.889 . 3.060 3.575 3.567 3.584 0.524 17 20 [**********-*****+***] 1
1629 1 70 LYS QB 1 70 LYS QG . . 2.466 2.088 2.085 2.093 . 0 0 "[ . 1 . 2]" 1
1630 1 70 LYS QB 1 71 LYS H 2.264 . 5.000 3.634 2.769 3.814 . 0 0 "[ . 1 . 2]" 1
1631 1 70 LYS QD 1 70 LYS QG 1.708 . 5.000 2.103 2.097 2.109 . 0 0 "[ . 1 . 2]" 1
1632 1 70 LYS QD 1 82 PRO QD 3.187 . 4.456 5.562 5.218 5.846 1.390 10 20 [*********+-*********] 1
1633 1 70 LYS QE 1 70 LYS QG 2.199 . 5.000 2.180 2.166 2.204 . 0 0 "[ . 1 . 2]" 1
1634 1 70 LYS QG 1 71 LYS H 2.816 . 3.807 4.400 3.943 4.561 0.754 20 16 "[** **-**** * ** ***+]" 1
1635 1 70 LYS QG 1 82 PRO QB 3.283 . 4.630 6.420 6.143 6.918 2.288 13 20 [************+******-] 1
1636 1 71 LYS H 1 72 ARG H 3.097 . 5.000 4.503 4.414 4.601 . 0 0 "[ . 1 . 2]" 1
1637 1 71 LYS HA 1 71 LYS QB 2.496 . 3.157 2.363 2.106 2.476 . 0 0 "[ . 1 . 2]" 1
1638 1 71 LYS HA 1 71 LYS QD 2.640 . 3.511 3.779 1.894 4.412 0.901 2 9 "[ + ******1 - * 2]" 1
1639 1 71 LYS HA 1 71 LYS QE 3.413 . 4.869 4.530 3.457 5.119 0.250 7 0 "[ . 1 . 2]" 1
1640 1 71 LYS HA 1 71 LYS QG 2.815 . 3.309 2.515 2.235 3.162 . 0 0 "[ . 1 . 2]" 1
1641 1 71 LYS HA 1 72 ARG H 2.046 . 2.569 2.136 2.094 2.211 . 0 0 "[ . 1 . 2]" 1
1642 1 71 LYS HA 1 81 VAL QG 2.966 . 5.066 2.549 1.875 2.858 . 0 0 "[ . 1 . 2]" 1
1643 1 71 LYS HA 1 82 PRO QD 2.764 . 3.719 2.952 2.491 3.522 . 0 0 "[ . 1 . 2]" 1
1644 1 71 LYS QB 1 71 LYS QD 1.774 . 2.168 2.137 1.925 2.315 0.147 18 0 "[ . 1 . 2]" 1
1645 1 71 LYS QB 1 71 LYS QE 2.683 . 3.583 3.368 1.896 3.648 0.065 7 0 "[ . 1 . 2]" 1
1646 1 71 LYS QB 1 71 LYS QG 2.054 . 2.474 2.065 1.958 2.087 . 0 0 "[ . 1 . 2]" 1
1647 1 71 LYS QB 1 72 ARG H 2.463 . 5.000 3.243 2.799 3.824 . 0 0 "[ . 1 . 2]" 1
1648 1 71 LYS QB 1 79 GLU HA 2.987 . 5.000 4.686 3.730 5.939 0.939 18 1 "[ . 1 . + 2]" 1
1649 1 71 LYS QB 1 79 GLU QG 3.138 . 4.369 3.521 2.388 5.817 1.448 14 4 "[ * . 1 +- *]" 1
1650 1 71 LYS QD 1 71 LYS QG . . 5.000 2.079 2.013 2.096 . 0 0 "[ . 1 . 2]" 1
1651 1 71 LYS QD 1 79 GLU QG 3.369 . 4.788 3.456 2.411 6.224 1.436 20 2 "[ . 1 -. +]" 1
1652 1 71 LYS QE 1 71 LYS QG 2.415 . 2.842 2.180 2.055 2.451 . 0 0 "[ . 1 . 2]" 1
1653 1 71 LYS QE 1 79 GLU QB 3.281 . 4.626 5.513 4.387 6.129 1.503 19 16 "[* ********* **** +-]" 1
1654 1 71 LYS QE 1 81 VAL QG 3.543 . 5.112 3.097 1.929 4.564 0.052 18 0 "[ . 1 . 2]" 1
1655 1 71 LYS QG 1 72 ARG H 3.898 . 5.797 4.139 2.954 4.772 . 0 0 "[ . 1 . 2]" 1
1656 1 72 ARG H 1 72 ARG HA 2.669 . 3.559 2.939 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
1657 1 72 ARG H 1 72 ARG HB3 2.918 . 3.982 3.052 2.383 3.660 . 0 0 "[ . 1 . 2]" 1
1658 1 72 ARG H 1 72 ARG QG 2.842 . 5.000 3.425 2.784 4.086 . 0 0 "[ . 1 . 2]" 1
1659 1 72 ARG H 1 80 VAL H 2.852 . 3.869 3.989 3.919 4.027 0.158 18 0 "[ . 1 . 2]" 1
1660 1 72 ARG H 1 80 VAL QG 3.445 . 4.929 4.615 3.852 4.858 . 0 0 "[ . 1 . 2]" 1
1661 1 72 ARG H 1 82 PRO HG3 3.105 . 4.310 4.597 4.415 4.955 0.645 3 3 "[ + . 1 -* . 2]" 1
1662 1 72 ARG HA 1 72 ARG HB2 2.386 . 3.098 2.741 2.407 3.028 . 0 0 "[ . 1 . 2]" 1
1663 1 72 ARG HA 1 72 ARG HB3 2.300 . 2.962 2.784 2.525 3.036 0.074 7 0 "[ . 1 . 2]" 1
1664 1 72 ARG HA 1 72 ARG QD 2.845 . 5.000 4.090 3.947 4.237 . 0 0 "[ . 1 . 2]" 1
1665 1 72 ARG HA 1 72 ARG QG 2.523 . 3.319 2.453 2.380 2.562 . 0 0 "[ . 1 . 2]" 1
1666 1 72 ARG HA 1 73 LYS H 2.239 . 2.866 2.300 2.212 2.367 . 0 0 "[ . 1 . 2]" 1
1667 1 72 ARG HA 1 73 LYS HA 3.275 . 4.616 4.460 4.429 4.479 . 0 0 "[ . 1 . 2]" 1
1668 1 72 ARG HA 1 80 VAL QG 3.449 . 4.936 5.420 4.073 5.523 0.587 4 19 "[***+****** *-*******]" 1
1669 1 72 ARG HB2 1 72 ARG QD 2.461 . 3.218 2.454 2.228 3.093 . 0 0 "[ . 1 . 2]" 1
1670 1 72 ARG HB2 1 73 LYS H 2.344 . 5.000 3.993 3.904 4.194 . 0 0 "[ . 1 . 2]" 1
1671 1 72 ARG HB2 1 80 VAL QG 3.057 . 4.225 4.254 3.542 5.027 0.802 16 9 "[* - . * 1 *.+****]" 1
1672 1 72 ARG HB2 1 82 PRO QD 3.284 . 4.632 3.146 2.648 3.608 . 0 0 "[ . 1 . 2]" 1
1673 1 72 ARG HB3 1 72 ARG QD 2.474 . 3.239 2.883 2.453 3.042 . 0 0 "[ . 1 . 2]" 1
1674 1 72 ARG HB3 1 72 ARG QG 2.120 . 2.682 2.338 2.290 2.411 . 0 0 "[ . 1 . 2]" 1
1675 1 72 ARG HB3 1 73 LYS H 2.949 . 4.036 3.373 2.737 4.093 0.057 11 0 "[ . 1 . 2]" 1
1676 1 72 ARG HB3 1 80 VAL QG 2.793 . 3.768 3.909 2.431 4.352 0.584 9 5 "[ - ** +1 * 2]" 1
1677 1 72 ARG QD 1 72 ARG QG 2.084 . 2.627 2.010 1.967 2.078 . 0 0 "[ . 1 . 2]" 1
1678 1 72 ARG QD 1 80 VAL HB 3.175 . 4.435 5.025 4.641 5.708 1.273 11 11 "[ * **- ***+** * 2]" 1
1679 1 72 ARG QD 1 80 VAL QG 3.075 . 4.257 4.341 2.837 4.863 0.606 12 1 "[ . 1 + . 2]" 1
1680 1 72 ARG QG 1 73 LYS H 3.106 . 4.312 3.139 2.217 3.954 . 0 0 "[ . 1 . 2]" 1
1681 1 72 ARG QG 1 80 VAL QG 2.845 . 3.856 4.291 2.240 5.077 1.221 4 10 "[ - +** *** ** * 2]" 1
1682 1 73 LYS H 1 73 LYS HA 2.736 . 3.672 2.947 2.941 2.953 . 0 0 "[ . 1 . 2]" 1
1683 1 73 LYS H 1 73 LYS QG 3.278 . 4.621 2.985 2.287 3.056 . 0 0 "[ . 1 . 2]" 1
1684 1 73 LYS H 1 74 ASP H 3.120 . 4.337 4.408 4.386 4.424 0.087 14 0 "[ . 1 . 2]" 1
1685 1 73 LYS H 1 80 VAL H 2.884 . 5.000 4.502 4.436 4.611 . 0 0 "[ . 1 . 2]" 1
1686 1 73 LYS HA 1 73 LYS HB3 2.248 . 2.880 2.503 2.481 2.526 . 0 0 "[ . 1 . 2]" 1
1687 1 73 LYS HA 1 73 LYS HD2 3.259 . 4.587 4.662 4.623 4.749 0.162 3 0 "[ . 1 . 2]" 1
1688 1 73 LYS HA 1 73 LYS QE 3.364 . 4.778 4.625 4.481 5.688 0.910 3 1 "[ + . 1 . 2]" 1
1689 1 73 LYS HA 1 73 LYS QG 2.692 . 3.598 2.434 2.325 3.337 . 0 0 "[ . 1 . 2]" 1
1690 1 73 LYS HA 1 74 ASP H 2.050 . 2.575 2.226 2.176 2.257 . 0 0 "[ . 1 . 2]" 1
1691 1 73 LYS HA 1 74 ASP HB3 3.878 . 5.758 4.426 4.172 5.585 . 0 0 "[ . 1 . 2]" 1
1692 1 73 LYS HA 1 79 GLU HA 2.223 . 2.841 2.928 2.878 2.993 0.152 11 0 "[ . 1 . 2]" 1
1693 1 73 LYS HA 1 79 GLU QB 3.105 . 5.000 4.896 4.647 5.035 0.035 10 0 "[ . 1 . 2]" 1
1694 1 73 LYS HA 1 80 VAL H 2.870 . 3.900 2.476 2.327 2.562 . 0 0 "[ . 1 . 2]" 1
1695 1 73 LYS HA 1 80 VAL HB 3.393 . 5.000 3.611 3.490 4.258 . 0 0 "[ . 1 . 2]" 1
1696 1 73 LYS HA 1 80 VAL QG 2.909 . 3.967 3.207 2.209 3.401 . 0 0 "[ . 1 . 2]" 1
1697 1 73 LYS HB2 1 77 GLY H 3.577 . 5.176 5.095 3.904 5.218 0.042 13 0 "[ . 1 . 2]" 1
1698 1 73 LYS HB2 1 78 ASN H 3.912 . 5.825 5.370 3.820 5.701 . 0 0 "[ . 1 . 2]" 1
1699 1 73 LYS HB3 1 73 LYS HD2 1.592 . 5.000 3.000 2.930 3.106 . 0 0 "[ . 1 . 2]" 1
1700 1 73 LYS HB3 1 73 LYS QE 3.335 . 4.726 3.964 3.920 4.021 . 0 0 "[ . 1 . 2]" 1
1701 1 73 LYS HB3 1 73 LYS QG 2.312 . 2.842 2.348 2.317 2.388 . 0 0 "[ . 1 . 2]" 1
1702 1 73 LYS HB3 1 74 ASP H 2.566 . 3.389 2.950 2.748 4.090 0.701 3 1 "[ + . 1 . 2]" 1
1703 1 73 LYS HB3 1 77 GLY QA 2.906 . 3.536 2.473 2.335 3.965 0.429 3 0 "[ . 1 . 2]" 1
1704 1 73 LYS QD 1 77 GLY QA 3.058 . 3.910 2.886 2.452 3.127 . 0 0 "[ . 1 . 2]" 1
1705 1 73 LYS QD 1 79 GLU HA 3.022 . 4.164 4.296 4.114 5.310 1.146 3 1 "[ + . 1 . 2]" 1
1706 1 73 LYS HD2 1 73 LYS QG 2.155 . 2.419 2.351 2.330 2.373 . 0 0 "[ . 1 . 2]" 1
1707 1 73 LYS HD2 1 77 GLY QA 3.459 . 4.954 3.822 2.474 4.053 . 0 0 "[ . 1 . 2]" 1
1708 1 73 LYS QE 1 73 LYS QG 2.862 . 3.886 2.134 2.098 2.334 . 0 0 "[ . 1 . 2]" 1
1709 1 73 LYS QE 1 79 GLU QG 3.438 . 4.915 4.197 2.322 9.137 4.222 3 1 "[ + . 1 . 2]" 1
1710 1 73 LYS QG 1 77 GLY QA 3.493 . 5.018 3.976 3.251 4.192 . 0 0 "[ . 1 . 2]" 1
1711 1 73 LYS QG 1 79 GLU HA 3.061 . 3.652 2.429 2.128 5.262 1.610 3 1 "[ + . 1 . 2]" 1
1712 1 74 ASP H 1 74 ASP HA 2.772 . 3.733 2.887 2.869 2.903 . 0 0 "[ . 1 . 2]" 1
1713 1 74 ASP H 1 74 ASP HB2 3.022 . 4.164 3.567 2.160 3.662 . 0 0 "[ . 1 . 2]" 1
1714 1 74 ASP H 1 74 ASP HB3 2.702 . 3.615 2.696 2.441 3.452 . 0 0 "[ . 1 . 2]" 1
1715 1 74 ASP H 1 77 GLY H 3.511 . 5.052 3.592 3.461 3.795 . 0 0 "[ . 1 . 2]" 1
1716 1 74 ASP H 1 79 GLU HA 3.406 . 4.856 4.430 4.338 4.589 . 0 0 "[ . 1 . 2]" 1
1717 1 74 ASP H 1 80 VAL QG 2.825 . 3.823 2.848 2.354 3.048 . 0 0 "[ . 1 . 2]" 1
1718 1 74 ASP HA 1 74 ASP HB2 2.108 . 2.663 2.454 2.337 2.965 0.302 11 0 "[ . 1 . 2]" 1
1719 1 74 ASP HA 1 74 ASP HB3 2.144 . 2.719 2.484 2.438 2.647 . 0 0 "[ . 1 . 2]" 1
1720 1 74 ASP HA 1 75 ASN H 3.384 . 4.815 2.774 2.699 2.809 . 0 0 "[ . 1 . 2]" 1
1721 1 74 ASP HA 1 80 VAL QG 2.957 . 4.050 3.821 3.236 4.073 0.023 13 0 "[ . 1 . 2]" 1
1722 1 74 ASP HB2 1 75 ASN H 3.214 . 4.505 2.116 1.964 3.621 . 0 0 "[ . 1 . 2]" 1
1723 1 74 ASP HB2 1 76 GLU H 3.569 . 5.162 3.688 3.503 3.864 . 0 0 "[ . 1 . 2]" 1
1724 1 74 ASP HB2 1 80 VAL QG 2.940 . 4.020 3.539 3.066 3.753 . 0 0 "[ . 1 . 2]" 1
1725 1 74 ASP HB3 1 75 ASN H 3.638 . 5.292 3.508 2.140 3.727 . 0 0 "[ . 1 . 2]" 1
1726 1 74 ASP HB3 1 80 VAL QG 2.479 . 3.247 2.254 1.995 3.911 0.664 11 1 "[ . 1+ . 2]" 1
1727 1 75 ASN H 1 75 ASN QB 3.223 . 4.522 2.358 2.323 2.398 . 0 0 "[ . 1 . 2]" 1
1728 1 75 ASN H 1 76 GLU H 3.015 . 4.151 2.822 2.769 2.860 . 0 0 "[ . 1 . 2]" 1
1729 1 75 ASN HA 1 75 ASN QB 2.049 . 2.574 2.426 2.411 2.437 . 0 0 "[ . 1 . 2]" 1
1730 1 75 ASN HA 1 76 GLU H 2.879 . 3.915 3.511 3.503 3.529 . 0 0 "[ . 1 . 2]" 1
1731 1 75 ASN HA 1 77 GLY H 3.680 . 5.373 4.277 3.982 4.419 . 0 0 "[ . 1 . 2]" 1
1732 1 75 ASN QB 1 76 GLU H 3.029 . 4.176 2.860 2.803 2.921 . 0 0 "[ . 1 . 2]" 1
1733 1 75 ASN QB 1 76 GLU HA 3.403 . 4.850 3.938 3.910 4.008 . 0 0 "[ . 1 . 2]" 1
1734 1 75 ASN QB 1 76 GLU HG2 3.160 . 4.408 4.161 3.055 5.315 0.907 11 1 "[ . 1+ . 2]" 1
1735 1 76 GLU H 1 76 GLU HA 2.520 . 3.314 2.908 2.853 2.919 . 0 0 "[ . 1 . 2]" 1
1736 1 76 GLU H 1 76 GLU QB 2.387 . 3.099 2.407 2.307 2.620 . 0 0 "[ . 1 . 2]" 1
1737 1 76 GLU H 1 76 GLU HG3 2.433 . 3.173 2.746 2.464 3.778 0.605 12 1 "[ . 1 + . 2]" 1
1738 1 76 GLU H 1 78 ASN H 2.991 . 4.109 3.621 3.466 3.936 . 0 0 "[ . 1 . 2]" 1
1739 1 76 GLU HA 1 76 GLU QB 2.049 . 2.574 2.384 2.178 2.417 . 0 0 "[ . 1 . 2]" 1
1740 1 76 GLU HA 1 76 GLU HG2 2.286 . 2.939 2.588 2.445 3.710 0.771 11 1 "[ . 1+ . 2]" 1
1741 1 76 GLU HA 1 77 GLY H 2.735 . 3.670 3.439 3.370 3.515 . 0 0 "[ . 1 . 2]" 1
1742 1 76 GLU QB 1 76 GLU HG2 1.897 . 5.000 2.358 2.334 2.417 . 0 0 "[ . 1 . 2]" 1
1743 1 76 GLU QB 1 77 GLY H 3.364 . 4.779 3.087 2.803 3.636 . 0 0 "[ . 1 . 2]" 1
1744 1 76 GLU QB 1 78 ASN H 3.619 . 4.775 3.205 2.948 3.673 . 0 0 "[ . 1 . 2]" 1
1745 1 76 GLU QB 1 78 ASN QD 3.561 . 4.982 2.514 2.101 5.413 0.431 11 0 "[ . 1 . 2]" 1
1746 1 76 GLU HG2 1 78 ASN QD 3.640 . 5.296 4.617 4.118 5.276 . 0 0 "[ . 1 . 2]" 1
1747 1 77 GLY H 1 77 GLY QA 2.544 . 3.029 2.295 2.271 2.313 . 0 0 "[ . 1 . 2]" 1
1748 1 77 GLY H 1 78 ASN H 2.500 . 3.281 2.160 2.070 2.242 . 0 0 "[ . 1 . 2]" 1
1749 1 77 GLY QA 1 78 ASN H 2.987 . 4.045 2.875 2.823 2.911 . 0 0 "[ . 1 . 2]" 1
1750 1 78 ASN H 1 78 ASN QB 2.467 . 3.228 2.410 2.302 2.484 . 0 0 "[ . 1 . 2]" 1
1751 1 78 ASN H 1 78 ASN QD 3.492 . 4.602 3.193 2.862 4.600 . 0 0 "[ . 1 . 2]" 1
1752 1 78 ASN H 1 79 GLU H 2.711 . 5.000 4.595 4.571 4.619 . 0 0 "[ . 1 . 2]" 1
1753 1 78 ASN HA 1 78 ASN QB 2.430 . 2.805 2.390 2.357 2.430 . 0 0 "[ . 1 . 2]" 1
1754 1 78 ASN HA 1 79 GLU HA 3.095 . 4.293 4.289 4.265 4.318 0.025 11 0 "[ . 1 . 2]" 1
1755 1 78 ASN HA 1 79 GLU QB 3.221 . 4.518 4.159 4.029 4.462 . 0 0 "[ . 1 . 2]" 1
1756 1 78 ASN QB 1 78 ASN QD 2.836 . 3.407 2.079 2.060 2.149 . 0 0 "[ . 1 . 2]" 1
1757 1 78 ASN QB 1 79 GLU H 3.308 . 3.558 2.782 2.670 3.443 . 0 0 "[ . 1 . 2]" 1
1758 1 78 ASN QB 1 80 VAL QG 3.237 . 4.547 3.312 3.098 4.208 . 0 0 "[ . 1 . 2]" 1
1759 1 79 GLU H 1 79 GLU HA 2.642 . 3.514 2.858 2.848 2.874 . 0 0 "[ . 1 . 2]" 1
1760 1 79 GLU H 1 79 GLU QB 2.189 . 2.788 2.351 2.207 2.725 . 0 0 "[ . 1 . 2]" 1
1761 1 79 GLU H 1 79 GLU QG 3.027 . 4.926 3.649 2.539 3.997 . 0 0 "[ . 1 . 2]" 1
1762 1 79 GLU HA 1 79 GLU QB 2.156 . 2.737 2.346 2.157 2.454 . 0 0 "[ . 1 . 2]" 1
1763 1 79 GLU HA 1 79 GLU QG 2.774 . 3.550 2.640 2.348 3.514 . 0 0 "[ . 1 . 2]" 1
1764 1 79 GLU HA 1 80 VAL H 1.978 . 2.467 2.113 2.098 2.167 . 0 0 "[ . 1 . 2]" 1
1765 1 79 GLU HA 1 80 VAL QG 3.047 . 4.207 3.794 3.705 3.933 . 0 0 "[ . 1 . 2]" 1
1766 1 79 GLU QB 1 79 GLU QG 2.197 . 2.285 2.062 1.998 2.084 0.002 20 0 "[ . 1 . 2]" 1
1767 1 79 GLU QB 1 80 VAL H 2.385 . 5.000 3.761 3.348 3.926 . 0 0 "[ . 1 . 2]" 1
1768 1 79 GLU QB 1 80 VAL HA 3.542 . 5.110 4.484 4.284 4.608 . 0 0 "[ . 1 . 2]" 1
1769 1 79 GLU QB 1 81 VAL QG 3.094 . 4.291 3.424 2.713 3.735 . 0 0 "[ . 1 . 2]" 1
1770 1 79 GLU QG 1 80 VAL H 4.070 . 5.376 3.450 3.052 4.478 . 0 0 "[ . 1 . 2]" 1
1771 1 79 GLU QG 1 81 VAL QG 3.426 . 5.000 2.313 1.737 4.271 0.263 4 0 "[ . 1 . 2]" 1
1772 1 80 VAL H 1 80 VAL HA 2.711 . 3.630 2.940 2.935 2.945 . 0 0 "[ . 1 . 2]" 1
1773 1 80 VAL H 1 80 VAL QG 2.454 . 3.207 2.708 2.111 2.827 . 0 0 "[ . 1 . 2]" 1
1774 1 80 VAL H 1 81 VAL H 2.861 . 5.000 4.032 3.930 4.306 . 0 0 "[ . 1 . 2]" 1
1775 1 80 VAL HA 1 80 VAL HB 2.387 . 3.099 3.004 2.460 3.035 . 0 0 "[ . 1 . 2]" 1
1776 1 80 VAL HA 1 80 VAL QG 2.127 . 5.000 2.174 2.160 2.328 . 0 0 "[ . 1 . 2]" 1
1777 1 80 VAL HA 1 81 VAL H 1.993 . 2.490 2.133 2.119 2.166 . 0 0 "[ . 1 . 2]" 1
1778 1 80 VAL HA 1 81 VAL QG 2.816 . 3.807 3.629 3.512 3.724 . 0 0 "[ . 1 . 2]" 1
1779 1 80 VAL HB 1 80 VAL QG 2.105 . 2.659 1.896 1.894 1.898 . 0 0 "[ . 1 . 2]" 1
1780 1 80 VAL HB 1 81 VAL H 2.962 . 4.058 4.398 4.298 4.448 0.390 11 0 "[ . 1 . 2]" 1
1781 1 80 VAL QG 1 81 VAL H 2.700 . 5.000 3.096 2.779 3.177 . 0 0 "[ . 1 . 2]" 1
1782 1 80 VAL QG 1 81 VAL HA 2.982 . 4.094 4.020 3.788 4.114 0.020 16 0 "[ . 1 . 2]" 1
1783 1 80 VAL QG 1 82 PRO QD 3.231 . 4.536 4.192 3.907 4.408 . 0 0 "[ . 1 . 2]" 1
1784 1 81 VAL H 1 81 VAL HA 2.640 . 3.511 2.900 2.886 2.915 . 0 0 "[ . 1 . 2]" 1
1785 1 81 VAL H 1 81 VAL HB 2.388 . 3.101 2.544 2.479 2.692 . 0 0 "[ . 1 . 2]" 1
1786 1 81 VAL H 1 81 VAL QG 2.432 . 3.320 2.437 2.215 2.567 . 0 0 "[ . 1 . 2]" 1
1787 1 81 VAL HA 1 81 VAL HB 2.493 . 3.270 3.011 3.006 3.017 . 0 0 "[ . 1 . 2]" 1
1788 1 81 VAL HA 1 81 VAL QG 2.273 . 2.919 2.180 2.161 2.187 . 0 0 "[ . 1 . 2]" 1
1789 1 81 VAL HA 1 82 PRO QD 2.212 . 2.824 1.950 1.849 2.067 . 0 0 "[ . 1 . 2]" 1
1790 1 81 VAL HB 1 81 VAL QG 1.976 . 2.464 1.891 1.888 1.898 . 0 0 "[ . 1 . 2]" 1
1791 1 81 VAL HB 1 82 PRO QD 2.937 . 4.015 4.133 3.991 4.205 0.190 15 0 "[ . 1 . 2]" 1
1792 1 81 VAL QG 1 82 PRO QD 2.510 . 3.205 2.291 2.096 2.491 . 0 0 "[ . 1 . 2]" 1
1793 1 82 PRO HA 1 82 PRO QB 2.127 . 3.028 2.218 2.180 2.241 . 0 0 "[ . 1 . 2]" 1
1794 1 82 PRO HA 1 82 PRO QD 2.104 . 5.000 3.341 3.177 3.402 . 0 0 "[ . 1 . 2]" 1
1795 1 82 PRO HA 1 82 PRO HG2 2.615 . 5.000 3.809 3.739 3.833 . 0 0 "[ . 1 . 2]" 1
1796 1 82 PRO HA 1 83 LYS H 1.945 . 2.418 2.111 2.076 2.189 . 0 0 "[ . 1 . 2]" 1
1797 1 82 PRO HA 1 83 LYS QG 3.350 . 4.753 3.695 3.511 3.856 . 0 0 "[ . 1 . 2]" 1
1798 1 82 PRO QB 1 82 PRO QD 2.859 . 3.798 2.609 2.523 2.707 . 0 0 "[ . 1 . 2]" 1
1799 1 82 PRO QB 1 82 PRO HG3 2.143 . 5.000 2.211 2.160 2.254 . 0 0 "[ . 1 . 2]" 1
1800 1 82 PRO QB 1 83 LYS H 2.827 . 3.744 3.222 3.007 3.333 . 0 0 "[ . 1 . 2]" 1
1801 1 82 PRO QD 1 82 PRO HG2 2.127 . 2.693 2.190 2.144 2.253 . 0 0 "[ . 1 . 2]" 1
1802 1 82 PRO QD 1 82 PRO HG3 2.353 . 3.045 2.211 2.094 2.320 . 0 0 "[ . 1 . 2]" 1
1803 1 82 PRO HG2 1 83 LYS H 3.931 . 5.862 5.260 4.759 5.578 . 0 0 "[ . 1 . 2]" 1
1804 1 82 PRO HG3 1 83 LYS H 3.393 . 4.832 5.124 4.821 5.576 0.744 19 8 "[* * . -* ** . +*]" 1
1805 1 83 LYS H 1 83 LYS HA 2.594 . 3.435 2.918 2.888 2.927 . 0 0 "[ . 1 . 2]" 1
1806 1 83 LYS H 1 83 LYS QB 2.593 . 2.969 2.446 2.334 2.693 . 0 0 "[ . 1 . 2]" 1
1807 1 83 LYS H 1 83 LYS QG 2.741 . 3.680 2.587 2.061 2.717 . 0 0 "[ . 1 . 2]" 1
1808 1 83 LYS H 1 84 PRO QD 3.642 . 5.300 4.452 4.414 4.490 . 0 0 "[ . 1 . 2]" 1
1809 1 83 LYS HA 1 83 LYS QB 2.451 . 3.183 2.371 2.187 2.414 . 0 0 "[ . 1 . 2]" 1
1810 1 83 LYS HA 1 83 LYS QE 3.397 . 4.840 4.411 4.051 5.519 0.679 18 1 "[ . 1 . + 2]" 1
1811 1 83 LYS HA 1 83 LYS QG 2.796 . 3.773 2.751 2.400 3.379 . 0 0 "[ . 1 . 2]" 1
1812 1 83 LYS HA 1 84 PRO HA 3.134 . 4.362 4.454 4.407 4.498 0.136 16 0 "[ . 1 . 2]" 1
1813 1 83 LYS HA 1 84 PRO QD 2.251 . 2.884 2.196 1.995 2.314 . 0 0 "[ . 1 . 2]" 1
1814 1 83 LYS HA 1 84 PRO HG2 2.852 . 5.000 4.738 4.496 4.922 . 0 0 "[ . 1 . 2]" 1
1815 1 83 LYS HA 1 84 PRO QG 2.671 . 5.000 4.225 3.896 4.399 . 0 0 "[ . 1 . 2]" 1
1816 1 83 LYS QB 1 83 LYS QE 1.902 . 2.354 3.611 3.557 3.688 1.334 10 20 [****-****+**********] 1
1817 1 83 LYS QB 1 83 LYS QG 2.353 . 2.493 2.027 1.962 2.097 0.038 19 0 "[ . 1 . 2]" 1
1818 1 83 LYS QB 1 84 PRO QD 3.073 . 4.055 2.083 1.781 2.674 0.111 6 0 "[ . 1 . 2]" 1
1819 1 83 LYS HD2 1 83 LYS QE 2.346 . 3.034 2.334 2.174 2.379 . 0 0 "[ . 1 . 2]" 1
1820 1 83 LYS HD2 1 83 LYS QG 1.936 . 2.404 2.358 2.332 2.404 0.000 13 0 "[ . 1 . 2]" 1
1821 1 83 LYS QE 1 83 LYS QG 2.840 . 2.947 2.175 2.151 2.297 . 0 0 "[ . 1 . 2]" 1
1822 1 83 LYS QG 1 84 PRO QD 3.455 . 4.634 3.498 3.020 4.068 . 0 0 "[ . 1 . 2]" 1
1823 1 84 PRO HA 1 84 PRO HB2 2.348 . 3.037 2.710 2.674 2.961 . 0 0 "[ . 1 . 2]" 1
1824 1 84 PRO HA 1 84 PRO HB3 2.226 . 2.846 2.294 2.283 2.314 . 0 0 "[ . 1 . 2]" 1
1825 1 84 PRO HA 1 84 PRO QD 2.624 . 5.000 3.293 3.216 3.387 . 0 0 "[ . 1 . 2]" 1
1826 1 84 PRO HA 1 85 GLN H 2.115 . 2.674 2.206 2.148 2.309 . 0 0 "[ . 1 . 2]" 1
1827 1 84 PRO HA 1 85 GLN QG 3.285 . 4.634 4.067 3.561 5.778 1.144 2 4 "[ + .- 1* . * 2]" 1
1828 1 84 PRO HB2 1 84 PRO QD 2.700 . 3.329 3.506 2.759 3.566 0.237 18 0 "[ . 1 . 2]" 1
1829 1 84 PRO HB2 1 84 PRO HG2 1.820 . 2.234 2.291 2.273 2.306 0.072 19 0 "[ . 1 . 2]" 1
1830 1 84 PRO HB2 1 85 GLN H 2.494 . 3.272 2.964 2.651 3.405 0.133 19 0 "[ . 1 . 2]" 1
1831 1 84 PRO HB3 1 84 PRO QD 2.967 . 4.019 2.883 2.787 3.535 . 0 0 "[ . 1 . 2]" 1
1832 1 84 PRO HB3 1 84 PRO HG2 2.156 . 2.737 2.910 2.588 2.934 0.197 9 0 "[ . 1 . 2]" 1
1833 1 84 PRO HB3 1 85 GLN H 2.708 . 3.624 3.558 2.958 3.626 0.002 3 0 "[ . 1 . 2]" 1
1834 1 84 PRO QD 1 84 PRO HG2 2.319 . 2.991 2.337 2.264 2.412 . 0 0 "[ . 1 . 2]" 1
1835 1 84 PRO HG3 1 85 GLN H 2.419 . 5.000 5.224 4.772 5.299 0.299 3 0 "[ . 1 . 2]" 1
1836 1 85 GLN H 1 85 GLN HA 2.698 . 3.608 2.921 2.912 2.928 . 0 0 "[ . 1 . 2]" 1
1837 1 85 GLN H 1 85 GLN HB3 2.511 . 5.000 3.464 2.536 3.696 . 0 0 "[ . 1 . 2]" 1
1838 1 85 GLN H 1 85 GLN QG 2.965 . 4.064 2.862 2.461 4.044 . 0 0 "[ . 1 . 2]" 1
1839 1 85 GLN H 1 86 ARG H 3.304 . 4.668 4.526 4.359 4.597 . 0 0 "[ . 1 . 2]" 1
1840 1 85 GLN HA 1 85 GLN HB2 2.357 . 3.051 2.928 2.459 3.033 . 0 0 "[ . 1 . 2]" 1
1841 1 85 GLN HA 1 85 GLN HB3 2.289 . 2.944 2.593 2.432 3.025 0.081 11 0 "[ . 1 . 2]" 1
1842 1 85 GLN HA 1 85 GLN QG 2.581 . 3.358 2.497 2.254 3.017 . 0 0 "[ . 1 . 2]" 1
1843 1 85 GLN HA 1 86 ARG H 2.083 . 2.625 2.198 2.060 2.452 . 0 0 "[ . 1 . 2]" 1
1844 1 85 GLN HA 1 86 ARG HA 3.612 . 5.242 4.403 4.369 4.558 . 0 0 "[ . 1 . 2]" 1
1845 1 85 GLN HB2 1 85 GLN QG 2.379 . 3.015 2.313 2.156 2.369 . 0 0 "[ . 1 . 2]" 1
1846 1 85 GLN HB2 1 86 ARG H 2.951 . 4.039 4.051 3.612 4.365 0.326 6 0 "[ . 1 . 2]" 1
1847 1 85 GLN HB3 1 85 GLN QG 2.378 . 3.085 2.340 2.318 2.398 . 0 0 "[ . 1 . 2]" 1
1848 1 85 GLN HB3 1 86 ARG H 2.812 . 3.800 3.158 2.434 4.090 0.290 2 0 "[ . 1 . 2]" 1
1849 1 85 GLN HE21 1 85 GLN QG 3.536 . 5.099 2.250 2.087 2.902 . 0 0 "[ . 1 . 2]" 1
1850 1 85 GLN HE22 1 85 GLN QG 3.368 . 4.786 3.253 3.217 3.517 . 0 0 "[ . 1 . 2]" 1
1851 1 85 GLN QG 1 86 ARG H 3.368 . 4.903 3.823 2.531 4.704 . 0 0 "[ . 1 . 2]" 1
1852 1 86 ARG H 1 86 ARG QB 2.710 . 3.628 2.626 2.442 2.921 . 0 0 "[ . 1 . 2]" 1
1853 1 86 ARG H 1 87 HIS H 3.574 . 5.171 4.365 4.155 4.521 . 0 0 "[ . 1 . 2]" 1
1854 1 86 ARG HA 1 86 ARG QB 2.521 . 3.080 2.354 2.177 2.435 . 0 0 "[ . 1 . 2]" 1
1855 1 86 ARG HA 1 86 ARG QD 3.179 . 4.442 4.017 3.060 4.245 . 0 0 "[ . 1 . 2]" 1
1856 1 86 ARG HA 1 86 ARG QG 2.624 . 3.485 2.538 2.314 3.402 . 0 0 "[ . 1 . 2]" 1
1857 1 86 ARG HA 1 87 HIS H 2.326 . 3.002 2.180 2.117 2.272 . 0 0 "[ . 1 . 2]" 1
1858 1 86 ARG QB 1 86 ARG QD 2.262 . 2.901 2.142 2.001 2.342 . 0 0 "[ . 1 . 2]" 1
1859 1 86 ARG QB 1 86 ARG QG . . 5.000 2.081 2.017 2.093 . 0 0 "[ . 1 . 2]" 1
1860 1 86 ARG QB 1 87 HIS H 2.943 . 4.025 3.142 2.666 3.436 . 0 0 "[ . 1 . 2]" 1
1861 1 86 ARG QD 1 86 ARG QG 2.277 . 2.925 2.070 2.007 2.095 . 0 0 "[ . 1 . 2]" 1
1862 1 87 HIS H 1 87 HIS QB 3.028 . 4.174 2.607 2.458 2.848 . 0 0 "[ . 1 . 2]" 1
1863 1 87 HIS H 1 87 HIS HD2 2.929 . 4.001 3.053 2.415 3.529 . 0 0 "[ . 1 . 2]" 1
1864 1 87 HIS HA 1 87 HIS QB 2.643 . 3.189 2.332 2.259 2.380 . 0 0 "[ . 1 . 2]" 1
1865 1 87 HIS HA 1 87 HIS HD2 3.103 . 4.307 4.505 4.332 4.641 0.334 20 0 "[ . 1 . 2]" 1
1866 1 87 HIS QB 1 87 HIS HD2 3.007 . 4.057 2.698 2.631 2.811 . 0 0 "[ . 1 . 2]" 1
1867 1 87 HIS QB 1 88 MET H 3.179 . 4.442 3.395 2.707 3.462 . 0 0 "[ . 1 . 2]" 1
1868 1 88 MET H 1 88 MET QB 2.730 . 3.493 2.469 2.339 2.824 . 0 0 "[ . 1 . 2]" 1
1869 1 88 MET H 1 88 MET QG 3.590 . 5.201 3.258 2.197 4.161 . 0 0 "[ . 1 . 2]" 1
1870 1 88 MET H 1 89 PHE H 3.524 . 5.076 4.509 4.368 4.580 . 0 0 "[ . 1 . 2]" 1
1871 1 88 MET HA 1 88 MET QB 2.599 . 3.338 2.357 2.225 2.394 . 0 0 "[ . 1 . 2]" 1
1872 1 88 MET HA 1 88 MET QG 2.649 . 3.526 2.503 2.398 2.726 . 0 0 "[ . 1 . 2]" 1
1873 1 88 MET HA 1 89 PHE H 2.327 . 3.004 2.178 2.095 2.262 . 0 0 "[ . 1 . 2]" 1
1874 1 88 MET QB 1 88 MET ME 2.492 . 3.268 2.427 1.795 3.603 0.335 17 0 "[ . 1 . 2]" 1
1875 1 88 MET QB 1 88 MET QG 2.388 . 2.740 2.074 2.005 2.101 . 0 0 "[ . 1 . 2]" 1
1876 1 88 MET QB 1 89 PHE H 3.156 . 4.401 3.217 2.756 3.653 . 0 0 "[ . 1 . 2]" 1
1877 1 88 MET QB 2 17 SER QB 4.000 3.400 4.600 3.865 3.474 4.502 . 0 0 "[ . 1 . 2]" 1
1878 1 88 MET ME 1 88 MET QG 2.319 . 3.136 2.343 2.166 2.653 . 0 0 "[ . 1 . 2]" 1
1879 1 88 MET ME 2 17 SER HA 3.500 2.800 4.200 3.800 2.536 5.209 1.009 20 1 "[ . 1 . +]" 1
1880 1 88 MET ME 2 17 SER QB 3.300 2.700 3.900 3.296 2.029 4.732 0.832 20 3 "[ . 1*- . +]" 1
1881 1 88 MET ME 2 20 ALA MB 3.200 2.600 3.800 3.082 2.153 4.410 0.610 2 1 "[ + . 1 . 2]" 1
1882 1 88 MET ME 2 21 ASP HA 4.000 3.000 5.000 5.272 2.709 7.764 2.764 7 10 "[ * . + - **** ***]" 1
1883 1 88 MET ME 2 23 ASP QB 4.100 3.300 4.900 5.405 4.157 6.290 1.390 7 11 "[ ** . + 1* **** **-]" 1
1884 1 88 MET ME 2 24 PHE QB 4.200 3.400 4.600 5.289 3.112 6.924 2.324 16 11 "[ * . * -* ***+ ***]" 1
1885 1 88 MET ME 2 24 PHE QE 3.300 2.700 3.900 4.453 2.167 7.346 3.446 11 8 "[ -. *1+* ** **]" 1
1886 1 88 MET QG 1 89 PHE H 3.205 . 4.363 3.404 2.412 4.428 0.065 10 0 "[ . 1 . 2]" 1
1887 1 88 MET QG 2 24 PHE QE 3.600 3.000 4.300 4.070 2.307 5.621 1.321 12 7 "[ * ***+ -. *]" 1
1888 1 89 PHE H 1 89 PHE HB2 2.811 . 3.798 2.679 2.482 2.821 . 0 0 "[ . 1 . 2]" 1
1889 1 89 PHE H 1 89 PHE QD 2.959 . 4.054 3.048 2.820 3.251 . 0 0 "[ . 1 . 2]" 1
1890 1 89 PHE H 1 90 SER H 3.385 . 4.818 4.330 4.201 4.509 . 0 0 "[ . 1 . 2]" 1
1891 1 89 PHE HA 1 89 PHE HB2 2.514 . 3.304 3.029 3.023 3.041 . 0 0 "[ . 1 . 2]" 1
1892 1 89 PHE HA 1 89 PHE QD 2.607 . 3.457 2.976 2.873 3.134 . 0 0 "[ . 1 . 2]" 1
1893 1 89 PHE HA 1 89 PHE QE 3.352 . 4.757 4.702 4.628 4.762 0.005 7 0 "[ . 1 . 2]" 1
1894 1 89 PHE HA 1 90 SER H 2.320 . 2.993 2.270 2.178 2.472 . 0 0 "[ . 1 . 2]" 1
1895 1 89 PHE HA 1 91 PHE QE 3.584 . 5.190 4.794 4.496 6.083 0.893 20 2 "[ . 1 .- +]" 1
1896 1 89 PHE HB2 1 89 PHE QD 2.765 . 3.721 2.380 2.340 2.472 . 0 0 "[ . 1 . 2]" 1
1897 1 89 PHE HB2 1 89 PHE QE 3.461 . 4.959 4.398 4.378 4.426 . 0 0 "[ . 1 . 2]" 1
1898 1 89 PHE HB2 1 90 SER H 2.906 . 3.962 4.085 3.666 4.258 0.296 11 0 "[ . 1 . 2]" 1
1899 1 89 PHE HB2 1 91 PHE QE 3.178 . 4.440 2.217 1.895 3.482 0.021 4 0 "[ . 1 . 2]" 1
1900 1 89 PHE QD 1 90 SER H 3.352 . 4.757 4.101 3.568 4.352 . 0 0 "[ . 1 . 2]" 1
1901 1 90 SER H 1 90 SER QB 3.064 . 4.029 2.375 2.173 3.015 . 0 0 "[ . 1 . 2]" 1
1902 1 90 SER HA 1 90 SER QB 2.396 . 3.114 2.351 2.172 2.449 . 0 0 "[ . 1 . 2]" 1
1903 1 90 SER HA 1 91 PHE H 2.370 . 3.072 2.217 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
1904 1 90 SER HA 1 91 PHE QD 3.000 . 4.125 3.146 2.792 4.308 0.183 20 0 "[ . 1 . 2]" 1
1905 1 90 SER HA 1 91 PHE QE 3.674 . 5.362 4.995 4.614 5.897 0.535 20 1 "[ . 1 . +]" 1
1906 1 90 SER QB 1 91 PHE H 3.002 . 4.128 2.981 2.721 3.548 . 0 0 "[ . 1 . 2]" 1
1907 1 90 SER QB 1 91 PHE QD 3.712 . 5.435 4.604 4.214 5.663 0.228 20 0 "[ . 1 . 2]" 1
1908 1 91 PHE H 1 91 PHE QB 3.109 . 4.005 2.469 2.353 2.519 . 0 0 "[ . 1 . 2]" 1
1909 1 91 PHE H 1 91 PHE QD 2.703 . 3.616 3.088 2.835 3.692 0.076 16 0 "[ . 1 . 2]" 1
1910 1 91 PHE H 1 91 PHE QE 3.724 . 5.458 5.327 5.144 5.677 0.219 16 0 "[ . 1 . 2]" 1
1911 1 91 PHE HA 1 91 PHE QB 2.656 . 3.538 2.475 2.450 2.506 . 0 0 "[ . 1 . 2]" 1
1912 1 91 PHE HA 1 91 PHE QD 2.659 . 3.543 3.003 2.441 3.090 . 0 0 "[ . 1 . 2]" 1
1913 1 91 PHE HA 1 92 ASN H 3.158 . 4.404 2.519 2.502 2.533 . 0 0 "[ . 1 . 2]" 1
1914 1 91 PHE HA 1 97 MET ME 2.417 . 5.000 5.030 4.218 8.118 3.118 17 4 "[ - . 1 .*+ *2]" 1
1915 1 91 PHE QB 1 91 PHE QD 2.724 . 3.651 2.139 2.131 2.159 . 0 0 "[ . 1 . 2]" 1
1916 1 91 PHE QB 1 92 ASN H 4.007 . 6.014 2.185 2.156 2.255 . 0 0 "[ . 1 . 2]" 1
1917 1 91 PHE QB 1 92 ASN HA 2.777 . 5.000 4.011 3.958 4.048 . 0 0 "[ . 1 . 2]" 1
1918 1 91 PHE QB 1 93 ASN H 2.843 . 3.853 2.402 2.234 2.509 . 0 0 "[ . 1 . 2]" 1
1919 1 91 PHE QB 1 97 MET HB3 3.405 . 4.634 3.399 2.799 4.774 0.140 13 0 "[ . 1 . 2]" 1
1920 1 91 PHE QB 1 97 MET ME 3.090 . 4.284 2.460 1.690 5.340 1.056 17 1 "[ . 1 . + 2]" 1
1921 1 91 PHE QD 1 92 ASN H 3.785 . 5.576 3.253 2.600 3.542 . 0 0 "[ . 1 . 2]" 1
1922 1 91 PHE QD 1 93 ASN H 3.139 . 4.370 3.360 3.241 3.602 . 0 0 "[ . 1 . 2]" 1
1923 1 91 PHE QD 1 96 VAL QG 2.530 . 3.330 2.889 2.750 3.075 . 0 0 "[ . 1 . 2]" 1
1924 1 91 PHE QD 1 97 MET H 2.760 . 3.712 2.891 2.398 3.984 0.272 16 0 "[ . 1 . 2]" 1
1925 1 91 PHE QD 1 97 MET HA 3.364 . 4.779 3.861 3.515 4.217 . 0 0 "[ . 1 . 2]" 1
1926 1 91 PHE QD 1 97 MET HB3 3.381 . 4.810 3.135 2.535 4.759 . 0 0 "[ . 1 . 2]" 1
1927 1 91 PHE QD 1 97 MET ME 3.478 . 4.990 3.515 2.702 5.800 0.810 17 1 "[ . 1 . + 2]" 1
1928 1 91 PHE QD 1 100 ILE HG12 3.860 . 5.722 5.314 4.967 5.857 0.135 16 0 "[ . 1 . 2]" 1
1929 1 91 PHE QE 1 96 VAL HA 3.200 . 4.480 4.724 4.507 5.495 1.015 20 2 "[ . 1 .- +]" 1
1930 1 91 PHE QE 1 96 VAL QG 2.621 . 3.480 1.969 1.765 2.251 . 0 0 "[ . 1 . 2]" 1
1931 1 91 PHE QE 1 97 MET HA 3.295 . 4.652 2.738 2.262 3.228 . 0 0 "[ . 1 . 2]" 1
1932 1 91 PHE QE 1 100 ILE MD 2.813 . 3.802 4.064 3.801 4.301 0.499 20 0 "[ . 1 . 2]" 1
1933 1 91 PHE QE 1 100 ILE HG12 3.444 . 4.926 3.235 2.919 3.991 . 0 0 "[ . 1 . 2]" 1
1934 1 91 PHE QE 1 100 ILE HG13 3.319 . 4.696 2.887 2.602 3.445 . 0 0 "[ . 1 . 2]" 1
1935 1 91 PHE QE 1 100 ILE MG 2.976 . 4.083 3.977 3.666 4.134 0.051 9 0 "[ . 1 . 2]" 1
1936 1 91 PHE HZ 1 97 MET HA 3.602 . 5.223 3.270 3.126 3.661 . 0 0 "[ . 1 . 2]" 1
1937 1 91 PHE HZ 1 100 ILE MD 3.281 . 4.626 4.325 3.946 4.741 0.115 4 0 "[ . 1 . 2]" 1
1938 1 91 PHE HZ 1 100 ILE MG 2.694 . 3.601 3.058 2.763 3.241 . 0 0 "[ . 1 . 2]" 1
1939 1 92 ASN H 1 93 ASN H 3.034 . 4.184 1.875 1.856 1.936 0.028 4 0 "[ . 1 . 2]" 1
1940 1 92 ASN HA 1 92 ASN QB 2.121 . 2.684 2.385 2.369 2.412 . 0 0 "[ . 1 . 2]" 1
1941 1 92 ASN HA 1 93 ASN H 3.172 . 4.429 3.415 3.356 3.441 . 0 0 "[ . 1 . 2]" 1
1942 1 92 ASN QB 1 92 ASN HD21 3.081 . 4.267 2.121 2.092 2.158 . 0 0 "[ . 1 . 2]" 1
1943 1 92 ASN QB 1 93 ASN H 2.717 . 5.000 3.165 3.066 3.309 . 0 0 "[ . 1 . 2]" 1
1944 1 92 ASN QB 1 93 ASN QD 3.379 . 4.806 5.245 4.947 5.510 0.704 17 5 "[ -* *1 .*+ 2]" 1
1945 1 93 ASN H 1 93 ASN HA 2.747 . 3.690 2.925 2.906 2.939 . 0 0 "[ . 1 . 2]" 1
1946 1 93 ASN H 1 93 ASN QB 2.675 . 3.570 2.723 2.670 2.797 . 0 0 "[ . 1 . 2]" 1
1947 1 93 ASN H 1 96 VAL QG 3.354 . 4.760 3.830 3.722 3.928 . 0 0 "[ . 1 . 2]" 1
1948 1 93 ASN H 1 97 MET ME 3.340 . 4.734 4.142 3.403 6.878 2.144 17 2 "[ . 1 .-+ 2]" 1
1949 1 93 ASN H 1 97 MET QG 3.358 . 5.000 5.169 3.854 6.661 1.661 19 2 "[ - . 1 . +2]" 1
1950 1 93 ASN HA 1 93 ASN QD 3.864 . 5.730 3.895 3.703 4.046 . 0 0 "[ . 1 . 2]" 1
1951 1 93 ASN HA 1 94 ARG H 2.708 . 3.624 2.199 2.116 2.239 . 0 0 "[ . 1 . 2]" 1
1952 1 93 ASN HA 1 95 THR H 3.302 . 4.665 3.869 3.704 4.096 . 0 0 "[ . 1 . 2]" 1
1953 1 93 ASN HA 1 96 VAL QG 3.524 . 5.076 4.741 4.580 4.942 . 0 0 "[ . 1 . 2]" 1
1954 1 93 ASN QB 1 95 THR H 3.539 . 5.104 3.318 3.143 3.769 . 0 0 "[ . 1 . 2]" 1
1955 1 93 ASN QB 1 96 VAL H 3.233 . 4.501 2.885 2.774 3.068 . 0 0 "[ . 1 . 2]" 1
1956 1 93 ASN QB 1 96 VAL HB 2.861 . 3.922 3.395 3.156 3.599 . 0 0 "[ . 1 . 2]" 1
1957 1 93 ASN QB 1 96 VAL QG 2.428 . 3.165 2.226 2.071 2.469 . 0 0 "[ . 1 . 2]" 1
1958 1 93 ASN QB 1 97 MET H 3.376 . 4.801 4.485 4.439 4.525 . 0 0 "[ . 1 . 2]" 1
1959 1 94 ARG H 1 94 ARG QB 3.049 . 4.211 2.441 2.230 2.828 . 0 0 "[ . 1 . 2]" 1
1960 1 94 ARG H 1 95 THR H 2.957 . 4.050 2.559 2.457 2.837 . 0 0 "[ . 1 . 2]" 1
1961 1 94 ARG H 1 97 MET ME 3.227 . 4.529 3.965 3.402 5.511 0.982 17 1 "[ . 1 . + 2]" 1
1962 1 94 ARG HA 1 94 ARG QB 2.551 . 3.365 2.301 2.164 2.470 . 0 0 "[ . 1 . 2]" 1
1963 1 94 ARG HA 1 94 ARG QD 2.860 . 3.790 3.275 2.232 4.512 0.722 7 3 "[ . + 1 - . *2]" 1
1964 1 94 ARG HA 1 94 ARG QG 2.700 . 3.611 2.853 2.242 3.358 . 0 0 "[ . 1 . 2]" 1
1965 1 94 ARG HA 1 95 THR H 3.121 . 4.339 3.440 3.411 3.503 . 0 0 "[ . 1 . 2]" 1
1966 1 94 ARG HA 1 97 MET H 3.053 . 4.218 3.663 3.394 3.811 . 0 0 "[ . 1 . 2]" 1
1967 1 94 ARG HA 1 97 MET HB2 2.972 . 5.000 4.542 2.619 4.851 . 0 0 "[ . 1 . 2]" 1
1968 1 94 ARG HA 1 97 MET HB3 2.886 . 3.927 3.897 2.731 4.847 0.920 16 1 "[ . 1 .+ 2]" 1
1969 1 94 ARG HA 1 97 MET ME 2.841 . 3.850 2.169 1.855 3.200 . 0 0 "[ . 1 . 2]" 1
1970 1 94 ARG HA 1 97 MET QG 2.645 . 3.519 2.261 1.676 4.514 0.995 3 2 "[ + . 1 . -2]" 1
1971 1 94 ARG HA 1 98 ASP H 2.838 . 3.845 3.970 3.807 4.040 0.195 10 0 "[ . 1 . 2]" 1
1972 1 94 ARG QB 1 94 ARG QD 3.199 . 3.732 2.249 2.020 2.588 . 0 0 "[ . 1 . 2]" 1
1973 1 94 ARG QB 1 95 THR H 3.082 . 3.850 3.215 2.774 3.719 . 0 0 "[ . 1 . 2]" 1
1974 1 94 ARG QB 1 98 ASP H 3.357 . 4.765 4.695 4.350 5.238 0.473 18 0 "[ . 1 . 2]" 1
1975 1 94 ARG QD 1 97 MET ME 3.363 . 4.777 3.453 1.990 5.314 0.537 7 1 "[ . + 1 . 2]" 1
1976 1 94 ARG QD 1 97 MET QG 3.455 . 4.947 4.715 3.296 7.519 2.572 19 3 "[ * . 1 - . +2]" 1
1977 1 95 THR H 1 95 THR HA 2.549 . 3.361 2.870 2.849 2.887 . 0 0 "[ . 1 . 2]" 1
1978 1 95 THR H 1 95 THR HB 2.287 . 2.941 3.638 3.627 3.648 0.707 16 20 [*******-*******+****] 1
1979 1 95 THR H 1 95 THR MG 2.667 . 5.000 2.265 2.199 2.372 . 0 0 "[ . 1 . 2]" 1
1980 1 95 THR H 1 96 VAL H 2.482 . 3.252 2.509 2.466 2.571 . 0 0 "[ . 1 . 2]" 1
1981 1 95 THR H 1 96 VAL HB 3.535 . 5.097 4.886 4.780 4.976 . 0 0 "[ . 1 . 2]" 1
1982 1 95 THR H 1 97 MET H 3.496 . 5.024 4.529 4.370 4.622 . 0 0 "[ . 1 . 2]" 1
1983 1 95 THR HA 1 95 THR HB 2.327 . 3.004 2.474 2.450 2.506 . 0 0 "[ . 1 . 2]" 1
1984 1 95 THR HA 1 95 THR MG 2.195 . 2.797 2.406 2.369 2.440 . 0 0 "[ . 1 . 2]" 1
1985 1 95 THR HA 1 96 VAL H 3.234 . 4.542 3.488 3.460 3.544 . 0 0 "[ . 1 . 2]" 1
1986 1 95 THR HA 1 98 ASP H 2.987 . 4.102 3.888 3.698 3.977 . 0 0 "[ . 1 . 2]" 1
1987 1 95 THR HA 1 98 ASP QB 2.583 . 3.417 2.908 2.546 3.033 . 0 0 "[ . 1 . 2]" 1
1988 1 95 THR HA 1 99 ASN H 3.330 . 4.716 4.466 4.271 4.649 . 0 0 "[ . 1 . 2]" 1
1989 1 95 THR HB 1 95 THR MG 1.977 . 2.466 2.142 2.141 2.143 . 0 0 "[ . 1 . 2]" 1
1990 1 95 THR HB 1 96 VAL H 2.650 . 3.528 4.027 3.848 4.114 0.586 16 13 "[** *** -*1** *.+** 2]" 1
1991 1 95 THR MG 1 99 ASN H 3.106 . 5.000 6.097 5.923 6.253 1.253 12 20 [***********+****-***] 1
1992 1 95 THR MG 1 99 ASN QB 3.366 . 4.783 5.890 5.755 6.246 1.463 12 20 [***********+******-*] 1
1993 1 95 THR MG 1 99 ASN QD 3.198 . 4.280 4.634 4.379 4.921 0.641 15 3 "[ . - 1 * + 2]" 1
1994 1 96 VAL H 1 96 VAL HA 2.741 . 3.680 2.896 2.879 2.908 . 0 0 "[ . 1 . 2]" 1
1995 1 96 VAL H 1 96 VAL HB 2.494 . 3.272 2.590 2.514 2.662 . 0 0 "[ . 1 . 2]" 1
1996 1 96 VAL H 1 96 VAL QG 2.304 . 2.968 2.270 2.122 2.404 . 0 0 "[ . 1 . 2]" 1
1997 1 96 VAL H 1 97 MET H 2.692 . 3.598 2.685 2.558 2.775 . 0 0 "[ . 1 . 2]" 1
1998 1 96 VAL H 1 98 ASP H 2.986 . 4.101 3.946 3.802 4.127 0.026 18 0 "[ . 1 . 2]" 1
1999 1 96 VAL HA 1 96 VAL HB 2.739 . 3.677 3.041 3.037 3.044 . 0 0 "[ . 1 . 2]" 1
2000 1 96 VAL HA 1 96 VAL QG 2.126 . 2.691 2.190 2.183 2.194 . 0 0 "[ . 1 . 2]" 1
2001 1 96 VAL HA 1 97 MET H 3.204 . 4.487 3.602 3.583 3.615 . 0 0 "[ . 1 . 2]" 1
2002 1 96 VAL HA 1 99 ASN H 3.081 . 4.268 3.397 3.248 3.502 . 0 0 "[ . 1 . 2]" 1
2003 1 96 VAL HA 1 99 ASN QB 2.780 . 3.746 2.530 2.416 2.659 . 0 0 "[ . 1 . 2]" 1
2004 1 96 VAL HA 1 100 ILE H 3.729 . 5.468 4.067 3.956 4.302 . 0 0 "[ . 1 . 2]" 1
2005 1 96 VAL HB 1 96 VAL QG 2.125 . 2.690 1.899 1.896 1.901 . 0 0 "[ . 1 . 2]" 1
2006 1 96 VAL HB 1 97 MET H 2.389 . 3.102 2.242 2.147 2.344 . 0 0 "[ . 1 . 2]" 1
2007 1 96 VAL QG 1 97 MET H 2.712 . 3.631 2.994 2.883 3.050 . 0 0 "[ . 1 . 2]" 1
2008 1 96 VAL QG 1 99 ASN QB 3.345 . 4.514 3.501 3.361 3.607 . 0 0 "[ . 1 . 2]" 1
2009 1 96 VAL QG 1 100 ILE MD 2.634 . 3.501 2.860 2.478 3.171 . 0 0 "[ . 1 . 2]" 1
2010 1 97 MET H 1 97 MET HB3 2.530 . 3.330 2.566 2.396 3.619 0.289 13 0 "[ . 1 . 2]" 1
2011 1 97 MET H 1 98 ASP H 2.820 . 3.814 2.948 2.883 3.069 . 0 0 "[ . 1 . 2]" 1
2012 1 97 MET H 1 100 ILE HG12 3.333 . 4.721 4.656 4.311 4.931 0.210 14 0 "[ . 1 . 2]" 1
2013 1 97 MET HA 1 97 MET HB3 2.420 . 3.152 2.517 2.235 3.027 . 0 0 "[ . 1 . 2]" 1
2014 1 97 MET HA 1 99 ASN H 3.793 . 5.591 4.154 4.002 4.385 . 0 0 "[ . 1 . 2]" 1
2015 1 97 MET HA 1 100 ILE H 3.433 . 4.906 3.372 3.266 3.484 . 0 0 "[ . 1 . 2]" 1
2016 1 97 MET HA 1 100 ILE HB 2.816 . 3.807 2.732 2.584 2.885 . 0 0 "[ . 1 . 2]" 1
2017 1 97 MET HA 1 100 ILE MD 3.371 . 4.791 4.826 4.557 5.006 0.215 13 0 "[ . 1 . 2]" 1
2018 1 97 MET HA 1 100 ILE HG12 2.663 . 3.550 3.469 3.066 3.764 0.214 20 0 "[ . 1 . 2]" 1
2019 1 97 MET HA 1 100 ILE HG13 3.590 . 5.201 3.775 3.538 3.948 . 0 0 "[ . 1 . 2]" 1
2020 1 97 MET HA 1 100 ILE MG 3.223 . 4.522 4.114 3.980 4.239 . 0 0 "[ . 1 . 2]" 1
2021 1 97 MET HA 1 101 LYS H 3.735 . 5.479 3.534 3.371 3.624 . 0 0 "[ . 1 . 2]" 1
2022 1 97 MET HB2 1 97 MET QG 2.120 . 5.000 2.330 2.233 2.410 . 0 0 "[ . 1 . 2]" 1
2023 1 97 MET HB3 1 97 MET QG 1.839 . 2.262 2.306 2.233 2.367 0.105 13 0 "[ . 1 . 2]" 1
2024 1 97 MET HB3 1 98 ASP H 2.545 . 5.000 3.833 2.957 4.126 . 0 0 "[ . 1 . 2]" 1
2025 1 97 MET QG 1 98 ASP H 2.917 . 3.981 2.413 1.893 4.056 0.075 13 0 "[ . 1 . 2]" 1
2026 1 98 ASP H 1 98 ASP HA 2.687 . 3.590 2.863 2.840 2.908 . 0 0 "[ . 1 . 2]" 1
2027 1 98 ASP H 1 98 ASP QB 2.487 . 3.260 2.282 2.215 2.337 . 0 0 "[ . 1 . 2]" 1
2028 1 98 ASP H 1 99 ASN H 2.676 . 3.571 2.572 2.426 2.692 . 0 0 "[ . 1 . 2]" 1
2029 1 98 ASP HA 1 98 ASP QB 2.601 . 3.358 2.451 2.428 2.471 . 0 0 "[ . 1 . 2]" 1
2030 1 98 ASP HA 1 99 ASN H 3.137 . 4.367 3.482 3.457 3.518 . 0 0 "[ . 1 . 2]" 1
2031 1 98 ASP HA 1 101 LYS H 3.033 . 4.183 3.786 3.591 3.949 . 0 0 "[ . 1 . 2]" 1
2032 1 98 ASP HA 1 101 LYS HB2 2.685 . 3.586 3.680 2.801 3.895 0.309 16 0 "[ . 1 . 2]" 1
2033 1 98 ASP HA 1 101 LYS HB3 2.494 . 3.271 2.509 2.156 2.728 . 0 0 "[ . 1 . 2]" 1
2034 1 98 ASP HA 1 101 LYS QD 3.008 . 5.000 3.249 2.757 3.442 . 0 0 "[ . 1 . 2]" 1
2035 1 98 ASP HA 1 101 LYS QE 2.589 . 3.427 5.245 4.840 5.461 2.034 3 20 [**+****-************] 1
2036 1 98 ASP HA 1 102 MET H 3.326 . 4.709 3.687 3.504 3.790 . 0 0 "[ . 1 . 2]" 1
2037 1 98 ASP HA 1 102 MET HB2 2.971 . 5.000 4.519 4.397 4.607 . 0 0 "[ . 1 . 2]" 1
2038 1 98 ASP HA 1 102 MET HB3 3.612 . 5.243 5.369 5.122 5.535 0.292 18 0 "[ . 1 . 2]" 1
2039 1 98 ASP QB 1 99 ASN H 2.439 . 3.183 2.931 2.740 3.014 . 0 0 "[ . 1 . 2]" 1
2040 1 99 ASN H 1 99 ASN HA 2.546 . 3.356 2.905 2.876 2.915 . 0 0 "[ . 1 . 2]" 1
2041 1 99 ASN H 1 99 ASN QB 2.449 . 3.199 2.159 2.067 2.312 . 0 0 "[ . 1 . 2]" 1
2042 1 99 ASN H 1 99 ASN QD 3.434 . 4.908 3.571 3.233 4.114 . 0 0 "[ . 1 . 2]" 1
2043 1 99 ASN H 1 101 LYS H 3.593 . 5.207 4.129 4.017 4.261 . 0 0 "[ . 1 . 2]" 1
2044 1 99 ASN HA 1 99 ASN QB 2.551 . 3.205 2.517 2.434 2.547 . 0 0 "[ . 1 . 2]" 1
2045 1 99 ASN HA 1 102 MET H 3.177 . 4.438 3.480 3.332 3.742 . 0 0 "[ . 1 . 2]" 1
2046 1 99 ASN HA 1 102 MET HB2 2.545 . 3.355 3.134 2.904 3.639 0.284 12 0 "[ . 1 . 2]" 1
2047 1 99 ASN HA 1 102 MET HB3 3.046 . 4.206 2.529 2.366 2.846 . 0 0 "[ . 1 . 2]" 1
2048 1 99 ASN HA 1 102 MET ME 2.771 . 3.731 3.080 2.249 4.477 0.746 1 5 "[+ . -1** * 2]" 1
2049 1 99 ASN HA 1 102 MET QG 3.142 . 4.376 4.306 4.091 4.689 0.313 12 0 "[ . 1 . 2]" 1
2050 1 99 ASN HA 1 103 THR H 3.177 . 4.438 4.129 3.815 4.284 . 0 0 "[ . 1 . 2]" 1
2051 1 100 ILE H 1 100 ILE HA 2.776 . 3.739 2.868 2.850 2.891 . 0 0 "[ . 1 . 2]" 1
2052 1 100 ILE H 1 100 ILE HB 2.424 . 3.159 2.549 2.456 2.662 . 0 0 "[ . 1 . 2]" 1
2053 1 100 ILE H 1 100 ILE MD 3.140 . 4.372 3.375 3.085 3.597 . 0 0 "[ . 1 . 2]" 1
2054 1 100 ILE H 1 100 ILE HG12 2.746 . 3.689 2.388 2.211 2.581 . 0 0 "[ . 1 . 2]" 1
2055 1 100 ILE H 1 100 ILE HG13 2.791 . 3.765 3.800 3.675 3.904 0.139 14 0 "[ . 1 . 2]" 1
2056 1 100 ILE H 1 100 ILE MG 2.939 . 4.019 3.823 3.797 3.840 . 0 0 "[ . 1 . 2]" 1
2057 1 100 ILE H 1 101 LYS H 2.509 . 3.296 2.682 2.586 2.759 . 0 0 "[ . 1 . 2]" 1
2058 1 100 ILE HA 1 100 ILE HB 2.784 . 3.753 3.040 3.037 3.043 . 0 0 "[ . 1 . 2]" 1
2059 1 100 ILE HA 1 100 ILE MD 2.162 . 2.746 2.222 2.134 2.323 . 0 0 "[ . 1 . 2]" 1
2060 1 100 ILE HA 1 100 ILE HG12 2.876 . 3.910 3.167 3.071 3.304 . 0 0 "[ . 1 . 2]" 1
2061 1 100 ILE HA 1 100 ILE HG13 2.963 . 4.060 3.809 3.757 3.864 . 0 0 "[ . 1 . 2]" 1
2062 1 100 ILE HA 1 100 ILE MG 2.340 . 3.025 2.536 2.443 2.602 . 0 0 "[ . 1 . 2]" 1
2063 1 100 ILE HA 1 103 THR H 3.082 . 4.269 3.703 3.562 3.851 . 0 0 "[ . 1 . 2]" 1
2064 1 100 ILE HA 1 103 THR HB 2.618 . 3.475 3.284 3.030 3.498 0.023 4 0 "[ . 1 . 2]" 1
2065 1 100 ILE HA 1 103 THR HG1 2.800 . 4.800 3.979 3.313 4.311 . 0 0 "[ . 1 . 2]" 1
2066 1 100 ILE HA 1 103 THR MG 2.933 . 5.000 4.596 4.371 4.767 . 0 0 "[ . 1 . 2]" 1
2067 1 100 ILE HA 1 104 LEU QD 3.317 . 5.000 4.029 3.441 4.211 . 0 0 "[ . 1 . 2]" 1
2068 1 100 ILE HB 1 100 ILE MD 2.488 . 3.261 3.287 3.283 3.290 0.029 9 0 "[ . 1 . 2]" 1
2069 1 100 ILE HB 1 100 ILE HG12 2.507 . 3.292 2.439 2.410 2.470 . 0 0 "[ . 1 . 2]" 1
2070 1 100 ILE HB 1 100 ILE HG13 2.594 . 3.435 2.462 2.429 2.493 . 0 0 "[ . 1 . 2]" 1
2071 1 100 ILE HB 1 101 LYS H 2.599 . 3.443 2.350 2.285 2.414 . 0 0 "[ . 1 . 2]" 1
2072 1 100 ILE HB 1 102 MET H 3.475 . 4.985 4.976 4.922 5.024 0.039 18 0 "[ . 1 . 2]" 1
2073 1 100 ILE MD 1 100 ILE MG 1.955 . 2.433 2.015 1.951 2.204 . 0 0 "[ . 1 . 2]" 1
2074 1 100 ILE MD 1 101 LYS H 3.777 . 5.560 4.695 4.617 4.745 . 0 0 "[ . 1 . 2]" 1
2075 1 100 ILE MD 1 103 THR HB 3.091 . 5.285 4.488 4.106 4.743 . 0 0 "[ . 1 . 2]" 1
2076 1 100 ILE MD 1 104 LEU QD 2.806 . 5.000 4.202 3.577 4.484 . 0 0 "[ . 1 . 2]" 1
2077 1 100 ILE HG12 1 101 LYS H 3.307 . 4.674 4.210 4.006 4.371 . 0 0 "[ . 1 . 2]" 1
2078 1 100 ILE HG13 1 101 LYS H 3.040 . 5.000 4.762 4.652 4.850 . 0 0 "[ . 1 . 2]" 1
2079 1 100 ILE MG 1 101 LYS H 2.998 . 4.122 3.207 3.035 3.380 . 0 0 "[ . 1 . 2]" 1
2080 1 100 ILE MG 1 103 THR HB 3.182 . 4.448 4.100 3.985 4.217 . 0 0 "[ . 1 . 2]" 1
2081 1 100 ILE MG 1 104 LEU HB2 2.836 . 5.000 4.028 3.427 4.253 . 0 0 "[ . 1 . 2]" 1
2082 1 100 ILE MG 1 104 LEU HB3 3.047 . 5.000 4.742 4.625 4.879 . 0 0 "[ . 1 . 2]" 1
2083 1 101 LYS H 1 101 LYS HA 2.645 . 3.519 2.749 2.716 2.768 . 0 0 "[ . 1 . 2]" 1
2084 1 101 LYS H 1 101 LYS HB2 2.524 . 3.320 2.426 2.288 2.488 . 0 0 "[ . 1 . 2]" 1
2085 1 101 LYS H 1 101 LYS HB3 2.588 . 3.425 2.537 2.485 2.680 . 0 0 "[ . 1 . 2]" 1
2086 1 101 LYS H 1 101 LYS QD 3.262 . 4.592 4.359 4.332 4.385 . 0 0 "[ . 1 . 2]" 1
2087 1 101 LYS H 1 101 LYS HG3 2.958 . 4.052 4.396 4.298 4.428 0.376 20 0 "[ . 1 . 2]" 1
2088 1 101 LYS H 1 102 MET H 2.802 . 3.783 2.904 2.830 2.967 . 0 0 "[ . 1 . 2]" 1
2089 1 101 LYS H 1 104 LEU QD 3.729 . 5.467 3.473 3.267 3.833 . 0 0 "[ . 1 . 2]" 1
2090 1 101 LYS HA 1 101 LYS HB2 2.593 . 3.433 2.442 2.422 2.493 . 0 0 "[ . 1 . 2]" 1
2091 1 101 LYS HA 1 101 LYS HB3 2.549 . 3.361 3.013 3.009 3.018 . 0 0 "[ . 1 . 2]" 1
2092 1 101 LYS HA 1 101 LYS QD 3.193 . 4.467 4.019 3.983 4.073 . 0 0 "[ . 1 . 2]" 1
2093 1 101 LYS HA 1 101 LYS QE 3.122 . 5.000 4.722 4.571 4.809 . 0 0 "[ . 1 . 2]" 1
2094 1 101 LYS HA 1 101 LYS HG2 2.557 . 3.375 3.129 3.010 3.223 . 0 0 "[ . 1 . 2]" 1
2095 1 101 LYS HA 1 102 MET H 3.062 . 4.234 3.550 3.532 3.571 . 0 0 "[ . 1 . 2]" 1
2096 1 101 LYS HA 1 104 LEU H 3.070 . 4.248 3.756 3.570 3.994 . 0 0 "[ . 1 . 2]" 1
2097 1 101 LYS HA 1 104 LEU HB2 3.179 . 4.443 2.317 2.214 2.518 . 0 0 "[ . 1 . 2]" 1
2098 1 101 LYS HA 1 104 LEU HB3 3.294 . 4.650 3.755 3.463 3.981 . 0 0 "[ . 1 . 2]" 1
2099 1 101 LYS HA 1 104 LEU QD 2.646 . 3.843 2.289 2.096 2.683 . 0 0 "[ . 1 . 2]" 1
2100 1 101 LYS HA 1 105 GLN H 2.800 . 4.800 3.478 3.385 3.717 . 0 0 "[ . 1 . 2]" 1
2101 1 101 LYS HB2 1 101 LYS HG2 2.621 . 3.480 3.012 2.987 3.017 . 0 0 "[ . 1 . 2]" 1
2102 1 101 LYS HB2 1 102 MET H 2.941 . 4.022 3.865 3.580 3.926 . 0 0 "[ . 1 . 2]" 1
2103 1 101 LYS HB3 1 101 LYS HG2 2.590 . 3.429 2.453 2.404 2.511 . 0 0 "[ . 1 . 2]" 1
2104 1 101 LYS HB3 1 102 MET H 2.695 . 3.603 2.542 2.236 2.605 . 0 0 "[ . 1 . 2]" 1
2105 1 101 LYS QD 1 101 LYS HG2 2.138 . 5.000 2.363 2.319 2.450 . 0 0 "[ . 1 . 2]" 1
2106 1 101 LYS QD 1 102 MET H 3.703 . 5.417 4.443 4.284 4.571 . 0 0 "[ . 1 . 2]" 1
2107 1 101 LYS QE 1 102 MET H 3.701 . 5.413 5.509 5.225 5.668 0.255 19 0 "[ . 1 . 2]" 1
2108 1 101 LYS HG2 1 102 MET H 3.111 . 4.321 3.682 3.562 3.757 . 0 0 "[ . 1 . 2]" 1
2109 1 102 MET H 1 102 MET HA 2.599 . 3.444 2.780 2.764 2.804 . 0 0 "[ . 1 . 2]" 1
2110 1 102 MET H 1 102 MET HB2 2.459 . 3.215 2.477 2.397 2.556 . 0 0 "[ . 1 . 2]" 1
2111 1 102 MET H 1 102 MET HB3 2.566 . 3.389 2.485 2.412 2.540 . 0 0 "[ . 1 . 2]" 1
2112 1 102 MET H 1 102 MET QG 2.955 . 5.000 3.969 3.942 3.989 . 0 0 "[ . 1 . 2]" 1
2113 1 102 MET H 1 103 THR H 2.628 . 3.491 2.982 2.938 3.038 . 0 0 "[ . 1 . 2]" 1
2114 1 102 MET H 1 104 LEU H 3.562 . 5.148 4.530 4.479 4.595 . 0 0 "[ . 1 . 2]" 1
2115 1 102 MET H 1 104 LEU QD 3.668 . 5.350 4.844 4.715 4.986 . 0 0 "[ . 1 . 2]" 1
2116 1 102 MET H 1 105 GLN H 3.741 . 5.491 4.658 4.583 4.692 . 0 0 "[ . 1 . 2]" 1
2117 1 102 MET HA 1 102 MET HB2 2.227 . 2.847 2.425 2.364 2.462 . 0 0 "[ . 1 . 2]" 1
2118 1 102 MET HA 1 102 MET HB3 2.260 . 2.898 3.009 2.986 3.018 0.120 19 0 "[ . 1 . 2]" 1
2119 1 102 MET HA 1 102 MET ME 3.127 . 4.349 4.304 3.958 4.579 0.230 9 0 "[ . 1 . 2]" 1
2120 1 102 MET HA 1 102 MET QG 2.518 . 3.310 2.538 2.475 2.599 . 0 0 "[ . 1 . 2]" 1
2121 1 102 MET HA 1 103 THR H 3.032 . 4.181 3.595 3.585 3.604 . 0 0 "[ . 1 . 2]" 1
2122 1 102 MET HA 1 105 GLN H 3.103 . 4.307 3.902 3.635 3.985 . 0 0 "[ . 1 . 2]" 1
2123 1 102 MET HA 1 105 GLN HB2 2.895 . 3.943 3.588 2.448 3.751 . 0 0 "[ . 1 . 2]" 1
2124 1 102 MET HA 1 105 GLN HB3 2.935 . 4.012 2.849 2.600 3.915 . 0 0 "[ . 1 . 2]" 1
2125 1 102 MET HA 1 105 GLN QG 2.868 . 5.000 4.324 3.939 4.638 . 0 0 "[ . 1 . 2]" 1
2126 1 102 MET HB2 1 102 MET QG 2.072 . 2.715 2.264 2.119 2.366 . 0 0 "[ . 1 . 2]" 1
2127 1 102 MET HB2 1 103 THR H 2.750 . 3.696 3.779 3.738 3.829 0.133 3 0 "[ . 1 . 2]" 1
2128 1 102 MET HB3 1 102 MET QG 2.134 . 2.559 2.407 2.326 2.520 . 0 0 "[ . 1 . 2]" 1
2129 1 102 MET HB3 1 103 THR H 2.714 . 3.635 2.362 2.290 2.431 . 0 0 "[ . 1 . 2]" 1
2130 1 102 MET ME 1 106 GLN QG 3.109 . 4.317 4.774 3.009 5.777 1.460 16 11 "[ * -**** 1 * .+ ***]" 1
2131 1 102 MET QG 1 103 THR H 3.658 . 5.331 3.379 3.176 3.599 . 0 0 "[ . 1 . 2]" 1
2132 1 102 MET QG 1 106 GLN QG 2.336 . 3.018 3.188 2.619 3.475 0.457 5 0 "[ . 1 . 2]" 1
2133 1 103 THR H 1 103 THR HA 2.546 . 3.356 2.797 2.761 2.816 . 0 0 "[ . 1 . 2]" 1
2134 1 103 THR H 1 103 THR HB 2.436 . 3.178 2.613 2.516 2.725 . 0 0 "[ . 1 . 2]" 1
2135 1 103 THR H 1 103 THR MG 2.754 . 3.702 3.796 3.778 3.813 0.111 17 0 "[ . 1 . 2]" 1
2136 1 103 THR H 1 104 LEU H 2.658 . 3.541 2.949 2.891 3.060 . 0 0 "[ . 1 . 2]" 1
2137 1 103 THR H 1 105 GLN H 3.458 . 4.953 4.439 4.389 4.509 . 0 0 "[ . 1 . 2]" 1
2138 1 103 THR HA 1 103 THR MG 2.106 . 2.660 2.417 2.357 2.483 . 0 0 "[ . 1 . 2]" 1
2139 1 103 THR HA 1 104 LEU H 2.458 . 5.000 3.587 3.577 3.599 . 0 0 "[ . 1 . 2]" 1
2140 1 103 THR HA 1 106 GLN H 2.848 . 3.862 3.525 3.366 3.639 . 0 0 "[ . 1 . 2]" 1
2141 1 103 THR HA 1 106 GLN HB2 2.768 . 3.725 2.652 2.439 2.820 . 0 0 "[ . 1 . 2]" 1
2142 1 103 THR HA 1 106 GLN HB3 2.818 . 5.000 4.237 4.021 4.433 . 0 0 "[ . 1 . 2]" 1
2143 1 103 THR HA 1 106 GLN QG 3.063 . 4.159 3.711 3.158 4.004 . 0 0 "[ . 1 . 2]" 1
2144 1 103 THR HB 1 103 THR MG 2.107 . 2.662 2.145 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
2145 1 103 THR HB 1 104 LEU H 2.546 . 3.356 2.261 2.145 2.310 . 0 0 "[ . 1 . 2]" 1
2146 1 103 THR HB 1 104 LEU QD 2.880 . 5.000 3.917 2.926 4.152 . 0 0 "[ . 1 . 2]" 1
2147 1 103 THR HB 1 107 ILE MD 3.216 . 4.509 3.850 3.468 4.074 . 0 0 "[ . 1 . 2]" 1
2148 1 103 THR HB 1 107 ILE QG 2.924 . 5.000 4.821 4.724 4.958 . 0 0 "[ . 1 . 2]" 1
2149 1 103 THR HG1 1 106 GLN H 2.800 . 4.800 4.453 4.335 4.544 . 0 0 "[ . 1 . 2]" 1
2150 1 103 THR MG 1 104 LEU H 2.573 . 3.400 3.183 3.062 3.363 . 0 0 "[ . 1 . 2]" 1
2151 1 103 THR MG 1 106 GLN H 3.279 . 4.623 4.561 4.505 4.675 0.052 20 0 "[ . 1 . 2]" 1
2152 1 103 THR MG 1 106 GLN HB2 3.300 . 4.661 3.837 3.610 4.005 . 0 0 "[ . 1 . 2]" 1
2153 1 103 THR MG 1 106 GLN QG 3.604 . 5.228 5.098 4.549 5.317 0.089 20 0 "[ . 1 . 2]" 1
2154 1 103 THR MG 1 107 ILE H 2.788 . 5.000 4.338 4.225 4.495 . 0 0 "[ . 1 . 2]" 1
2155 1 103 THR MG 1 107 ILE QG 3.743 2.803 4.683 2.729 2.614 2.844 0.189 9 0 "[ . 1 . 2]" 1
2156 1 104 LEU H 1 104 LEU HB2 2.830 . 3.831 2.520 2.180 2.619 . 0 0 "[ . 1 . 2]" 1
2157 1 104 LEU H 1 104 LEU HB3 2.656 . 3.538 3.581 3.483 3.598 0.060 9 0 "[ . 1 . 2]" 1
2158 1 104 LEU H 1 104 LEU QD 2.630 . 3.495 2.960 2.045 3.126 . 0 0 "[ . 1 . 2]" 1
2159 1 104 LEU H 1 104 LEU HG 2.589 . 3.427 2.372 2.068 4.231 0.804 20 2 "[ . 1 -. +]" 1
2160 1 104 LEU H 1 105 GLN H 2.732 . 3.665 3.069 3.034 3.090 . 0 0 "[ . 1 . 2]" 1
2161 1 104 LEU H 1 106 GLN H 3.370 . 4.790 4.158 4.092 4.248 . 0 0 "[ . 1 . 2]" 1
2162 1 104 LEU H 1 107 ILE QG 3.011 . 4.144 4.603 4.546 4.680 0.536 4 4 "[ +. ** 1- . 2]" 1
2163 1 104 LEU HA 1 104 LEU HB2 2.210 . 5.000 3.024 2.955 3.035 . 0 0 "[ . 1 . 2]" 1
2164 1 104 LEU HA 1 104 LEU HB3 2.825 . 3.823 2.556 2.504 2.747 . 0 0 "[ . 1 . 2]" 1
2165 1 104 LEU HA 1 104 LEU QD 2.210 . 2.820 2.014 1.662 2.240 0.338 20 0 "[ . 1 . 2]" 1
2166 1 104 LEU HA 1 104 LEU HG 2.803 . 3.785 3.078 2.680 3.300 . 0 0 "[ . 1 . 2]" 1
2167 1 104 LEU HA 1 105 GLN H 2.724 . 3.652 3.547 3.539 3.559 . 0 0 "[ . 1 . 2]" 1
2168 1 104 LEU HA 1 107 ILE H 2.959 . 4.054 3.443 3.398 3.511 . 0 0 "[ . 1 . 2]" 1
2169 1 104 LEU HA 1 107 ILE HB 2.718 . 3.642 2.622 2.560 2.688 . 0 0 "[ . 1 . 2]" 1
2170 1 104 LEU HA 1 107 ILE MD 2.596 . 5.439 2.410 2.232 2.549 . 0 0 "[ . 1 . 2]" 1
2171 1 104 LEU HA 1 107 ILE MG 2.829 . 3.829 3.914 3.879 3.978 0.149 20 0 "[ . 1 . 2]" 1
2172 1 104 LEU HB2 1 105 GLN H 3.069 . 4.246 2.136 2.067 2.499 . 0 0 "[ . 1 . 2]" 1
2173 1 104 LEU HB3 1 104 LEU HG 2.919 . 3.984 2.941 2.217 3.018 . 0 0 "[ . 1 . 2]" 1
2174 1 104 LEU HB3 1 105 GLN H 2.401 . 3.122 3.064 2.635 3.171 0.049 5 0 "[ . 1 . 2]" 1
2175 1 104 LEU HB3 1 108 ILE MD 2.794 . 3.770 3.054 2.855 3.330 . 0 0 "[ . 1 . 2]" 1
2176 1 104 LEU QD 1 105 GLN H 3.113 . 4.325 3.793 3.725 3.825 . 0 0 "[ . 1 . 2]" 1
2177 1 104 LEU QD 1 107 ILE HB 2.575 . 5.000 3.770 3.454 4.073 . 0 0 "[ . 1 . 2]" 1
2178 1 104 LEU HG 1 105 GLN H 2.894 . 3.941 4.250 4.111 4.743 0.802 14 2 "[ . 1 +. -]" 1
2179 1 105 GLN H 1 105 GLN HA 2.582 . 3.415 2.760 2.747 2.788 . 0 0 "[ . 1 . 2]" 1
2180 1 105 GLN H 1 105 GLN HB3 2.477 . 3.244 2.696 2.598 3.567 0.323 17 0 "[ . 1 . 2]" 1
2181 1 105 GLN H 1 105 GLN QG 2.947 . 3.975 3.940 2.620 4.067 0.092 1 0 "[ . 1 . 2]" 1
2182 1 105 GLN H 1 106 GLN H 2.596 . 3.438 2.873 2.817 2.904 . 0 0 "[ . 1 . 2]" 1
2183 1 105 GLN HA 1 105 GLN HB2 2.439 . 3.183 2.509 2.461 3.000 . 0 0 "[ . 1 . 2]" 1
2184 1 105 GLN HA 1 105 GLN HB3 2.474 . 3.239 3.012 2.649 3.034 . 0 0 "[ . 1 . 2]" 1
2185 1 105 GLN HA 1 105 GLN QG 2.683 . 3.493 2.616 2.334 3.043 . 0 0 "[ . 1 . 2]" 1
2186 1 105 GLN HA 1 106 GLN H 3.006 . 4.135 3.506 3.485 3.552 . 0 0 "[ . 1 . 2]" 1
2187 1 105 GLN HA 1 108 ILE H 3.208 . 4.494 3.562 3.304 3.673 . 0 0 "[ . 1 . 2]" 1
2188 1 105 GLN HA 1 108 ILE HB 2.671 . 3.563 3.231 2.842 3.427 . 0 0 "[ . 1 . 2]" 1
2189 1 105 GLN HA 1 108 ILE MD 2.488 . 3.262 2.961 2.711 3.255 . 0 0 "[ . 1 . 2]" 1
2190 1 105 GLN HA 1 108 ILE QG 2.748 . 3.692 4.158 3.906 4.372 0.680 20 7 "[* * * *1 * - +]" 1
2191 1 105 GLN HA 1 108 ILE MG 2.724 . 5.000 4.624 4.260 4.811 . 0 0 "[ . 1 . 2]" 1
2192 1 105 GLN HA 1 109 SER H 3.072 . 4.251 4.123 3.850 4.303 0.052 15 0 "[ . 1 . 2]" 1
2193 1 105 GLN HB2 1 105 GLN QG 2.347 . 3.035 2.361 2.297 2.385 . 0 0 "[ . 1 . 2]" 1
2194 1 105 GLN HB3 1 105 GLN QG 2.205 . 5.000 2.260 2.160 2.348 . 0 0 "[ . 1 . 2]" 1
2195 1 105 GLN HB3 1 106 GLN QG 3.321 . 4.700 3.358 3.189 4.027 . 0 0 "[ . 1 . 2]" 1
2196 1 106 GLN H 1 106 GLN HA 2.513 . 3.303 2.890 2.865 2.905 . 0 0 "[ . 1 . 2]" 1
2197 1 106 GLN H 1 106 GLN HB2 2.390 . 3.104 2.320 2.279 2.368 . 0 0 "[ . 1 . 2]" 1
2198 1 106 GLN H 1 106 GLN HB3 2.488 . 5.000 3.567 3.549 3.585 . 0 0 "[ . 1 . 2]" 1
2199 1 106 GLN H 1 106 GLN QG 2.761 . 3.714 2.676 2.549 2.784 . 0 0 "[ . 1 . 2]" 1
2200 1 106 GLN H 1 107 ILE H 2.611 . 3.463 2.357 2.297 2.470 . 0 0 "[ . 1 . 2]" 1
2201 1 106 GLN H 1 107 ILE QG 3.700 3.700 5.256 3.963 3.813 4.010 . 0 0 "[ . 1 . 2]" 1
2202 1 106 GLN HA 1 106 GLN HB2 2.364 . 3.063 3.016 2.999 3.026 . 0 0 "[ . 1 . 2]" 1
2203 1 106 GLN HA 1 106 GLN HB3 2.340 . 3.024 2.561 2.515 2.589 . 0 0 "[ . 1 . 2]" 1
2204 1 106 GLN HA 1 106 GLN QG 2.547 . 3.358 2.449 2.310 2.922 . 0 0 "[ . 1 . 2]" 1
2205 1 106 GLN HA 1 107 ILE H 3.129 . 4.353 3.438 3.428 3.447 . 0 0 "[ . 1 . 2]" 1
2206 1 106 GLN HA 1 110 ARG H 2.800 . 4.800 4.832 4.240 4.895 0.095 17 0 "[ . 1 . 2]" 1
2207 1 106 GLN HB2 1 106 GLN QG 2.266 . 2.908 2.331 2.164 2.411 . 0 0 "[ . 1 . 2]" 1
2208 1 106 GLN HB2 1 107 ILE H 2.907 . 3.964 3.131 3.098 3.154 . 0 0 "[ . 1 . 2]" 1
2209 1 106 GLN HB3 1 106 GLN QG 2.392 . 2.814 2.331 2.279 2.426 . 0 0 "[ . 1 . 2]" 1
2210 1 106 GLN HB3 1 107 ILE H 2.950 . 4.038 3.888 3.844 3.934 . 0 0 "[ . 1 . 2]" 1
2211 1 107 ILE H 1 107 ILE HA 2.724 . 3.652 2.887 2.879 2.907 . 0 0 "[ . 1 . 2]" 1
2212 1 107 ILE H 1 107 ILE HB 2.445 . 3.192 2.404 2.373 2.465 . 0 0 "[ . 1 . 2]" 1
2213 1 107 ILE H 1 107 ILE MD 2.856 . 3.876 3.656 3.481 3.710 . 0 0 "[ . 1 . 2]" 1
2214 1 107 ILE H 1 107 ILE QG 2.543 . 3.351 2.452 2.348 2.500 . 0 0 "[ . 1 . 2]" 1
2215 1 107 ILE H 1 108 ILE H 2.578 . 3.409 2.514 2.463 2.550 . 0 0 "[ . 1 . 2]" 1
2216 1 107 ILE HA 1 107 ILE HB 2.468 . 3.229 3.035 3.031 3.047 . 0 0 "[ . 1 . 2]" 1
2217 1 107 ILE HA 1 107 ILE MD 2.694 . 4.601 3.880 3.864 3.935 . 0 0 "[ . 1 . 2]" 1
2218 1 107 ILE HA 1 107 ILE QG 2.593 . 3.434 2.389 2.367 2.463 . 0 0 "[ . 1 . 2]" 1
2219 1 107 ILE HA 1 107 ILE MG 2.351 . 3.042 2.535 2.490 2.568 . 0 0 "[ . 1 . 2]" 1
2220 1 107 ILE HA 1 108 ILE H 3.388 . 4.822 3.583 3.569 3.594 . 0 0 "[ . 1 . 2]" 1
2221 1 107 ILE HA 1 110 ARG H 3.096 . 4.294 3.670 3.522 3.850 . 0 0 "[ . 1 . 2]" 1
2222 1 107 ILE HA 1 110 ARG QD 3.219 . 4.257 3.685 2.213 5.552 1.295 9 7 "[ ** +1 ** -* 2]" 1
2223 1 107 ILE HA 1 110 ARG QG 3.143 . 4.043 3.806 2.999 5.043 1.000 17 4 "[ - **1 . + 2]" 1
2224 1 107 ILE HA 1 111 TYR H 2.800 . 4.800 4.859 4.495 4.966 0.166 8 0 "[ . 1 . 2]" 1
2225 1 107 ILE HB 1 107 ILE MG 2.125 . 2.689 2.124 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
2226 1 107 ILE HB 1 108 ILE H 2.436 . 3.178 2.766 2.705 2.909 . 0 0 "[ . 1 . 2]" 1
2227 1 107 ILE MD 1 108 ILE H 3.307 . 5.000 4.762 4.684 4.817 . 0 0 "[ . 1 . 2]" 1
2228 1 107 ILE QG 1 111 TYR H 2.800 . 4.800 4.302 4.225 4.445 . 0 0 "[ . 1 . 2]" 1
2229 1 107 ILE QG 1 108 ILE H 4.000 3.800 5.000 4.214 4.172 4.248 . 0 0 "[ . 1 . 2]" 1
2230 1 107 ILE MG 1 108 ILE H 2.906 . 3.962 3.339 3.260 3.597 . 0 0 "[ . 1 . 2]" 1
2231 1 107 ILE MG 1 110 ARG H 3.711 . 5.433 4.531 4.410 4.695 . 0 0 "[ . 1 . 2]" 1
2232 1 107 ILE MG 1 110 ARG QD 3.591 . 4.698 4.439 3.248 6.043 1.345 5 8 "[ +* *1 ** ** -]" 1
2233 1 107 ILE MG 1 111 TYR QD 2.871 . 3.902 2.646 2.490 2.962 . 0 0 "[ . 1 . 2]" 1
2234 1 107 ILE MG 1 111 TYR QE 2.370 . 3.072 1.897 1.703 2.011 . 0 0 "[ . 1 . 2]" 1
2235 1 108 ILE H 1 108 ILE HA 2.780 . 3.746 2.863 2.835 2.893 . 0 0 "[ . 1 . 2]" 1
2236 1 108 ILE H 1 108 ILE MD 2.818 . 3.811 3.346 3.179 3.545 . 0 0 "[ . 1 . 2]" 1
2237 1 108 ILE H 1 108 ILE QG 2.851 . 3.867 2.315 2.090 2.558 . 0 0 "[ . 1 . 2]" 1
2238 1 108 ILE H 1 108 ILE MG 2.641 . 5.000 3.816 3.786 3.833 . 0 0 "[ . 1 . 2]" 1
2239 1 108 ILE H 1 109 SER H 2.614 . 3.468 2.561 2.500 2.757 . 0 0 "[ . 1 . 2]" 1
2240 1 108 ILE HA 1 108 ILE HB 2.582 . 3.415 3.035 3.030 3.039 . 0 0 "[ . 1 . 2]" 1
2241 1 108 ILE HA 1 108 ILE QG 2.617 . 2.912 2.398 2.323 2.488 . 0 0 "[ . 1 . 2]" 1
2242 1 108 ILE HA 1 108 ILE MG 2.302 . 2.965 2.465 2.381 2.547 . 0 0 "[ . 1 . 2]" 1
2243 1 108 ILE HA 1 109 SER H 3.004 . 4.132 3.510 3.490 3.567 . 0 0 "[ . 1 . 2]" 1
2244 1 108 ILE HA 1 110 ARG H 3.477 . 4.988 3.795 3.702 4.057 . 0 0 "[ . 1 . 2]" 1
2245 1 108 ILE HA 1 111 TYR H 3.136 . 4.365 3.128 2.986 3.529 . 0 0 "[ . 1 . 2]" 1
2246 1 108 ILE HA 1 111 TYR QB 3.241 . 4.554 2.853 2.682 3.313 . 0 0 "[ . 1 . 2]" 1
2247 1 108 ILE HA 1 111 TYR QD 2.800 . 4.800 2.314 2.020 2.573 . 0 0 "[ . 1 . 2]" 1
2248 1 108 ILE HA 1 111 TYR QE 3.433 . 4.906 4.322 3.889 4.695 . 0 0 "[ . 1 . 2]" 1
2249 1 108 ILE HA 1 112 LYS H 2.800 . 4.800 4.457 4.284 4.831 0.031 8 0 "[ . 1 . 2]" 1
2250 1 108 ILE HB 1 108 ILE MG 2.126 . 2.691 2.147 2.143 2.149 . 0 0 "[ . 1 . 2]" 1
2251 1 108 ILE HB 1 109 SER H 2.643 . 3.516 2.768 2.563 2.854 . 0 0 "[ . 1 . 2]" 1
2252 1 108 ILE MD 1 109 SER H 3.205 . 5.000 4.539 4.420 4.679 . 0 0 "[ . 1 . 2]" 1
2253 1 108 ILE QG 1 109 SER H 2.734 . 4.808 4.127 3.986 4.189 . 0 0 "[ . 1 . 2]" 1
2254 1 108 ILE MG 1 109 SER H 2.826 . 3.825 3.483 3.156 3.667 . 0 0 "[ . 1 . 2]" 1
2255 1 108 ILE MG 1 111 TYR H 4.086 . 6.173 4.259 4.162 4.475 . 0 0 "[ . 1 . 2]" 1
2256 1 108 ILE MG 1 111 TYR QD 3.759 . 5.525 4.049 3.826 4.311 . 0 0 "[ . 1 . 2]" 1
2257 1 108 ILE MG 1 112 LYS QD 2.732 . 3.665 3.432 3.105 4.333 0.668 8 1 "[ . + 1 . 2]" 1
2258 1 108 ILE MG 1 112 LYS QE 2.838 . 3.394 4.542 2.000 5.657 2.263 8 17 "[****. *+****-*.*****]" 1
2259 1 108 ILE MG 1 112 LYS HG3 2.787 . 5.000 4.455 2.013 5.847 0.847 8 1 "[ . + 1 . 2]" 1
2260 1 109 SER H 1 109 SER HA 2.456 . 3.210 2.826 2.809 2.838 . 0 0 "[ . 1 . 2]" 1
2261 1 109 SER H 1 109 SER QB 2.259 . 2.897 2.466 2.415 2.586 . 0 0 "[ . 1 . 2]" 1
2262 1 109 SER H 1 110 ARG H 2.541 . 3.348 2.667 2.583 2.718 . 0 0 "[ . 1 . 2]" 1
2263 1 109 SER H 1 111 TYR H 3.319 . 4.696 4.286 4.064 4.418 . 0 0 "[ . 1 . 2]" 1
2264 1 109 SER HA 1 109 SER QB 2.063 . 2.595 2.185 2.164 2.194 . 0 0 "[ . 1 . 2]" 1
2265 1 109 SER HA 1 110 ARG H 2.905 . 3.960 3.451 3.423 3.464 . 0 0 "[ . 1 . 2]" 1
2266 1 109 SER HA 1 111 TYR H 3.324 . 4.705 4.375 3.744 4.493 . 0 0 "[ . 1 . 2]" 1
2267 1 109 SER HA 1 112 LYS H 2.946 . 4.031 3.156 2.551 3.277 . 0 0 "[ . 1 . 2]" 1
2268 1 109 SER HA 1 112 LYS QB 2.664 . 3.551 1.864 1.745 1.920 0.032 5 0 "[ . 1 . 2]" 1
2269 1 109 SER HA 1 112 LYS QD 3.038 . 4.192 3.517 2.110 4.389 0.197 3 0 "[ . 1 . 2]" 1
2270 1 109 SER HA 1 112 LYS QE 3.195 . 4.471 4.911 3.444 5.552 1.081 8 10 "[-***. *+ ** . **2]" 1
2271 1 109 SER HA 1 112 LYS HG2 3.061 . 4.232 3.573 3.110 4.142 . 0 0 "[ . 1 . 2]" 1
2272 1 109 SER HA 1 112 LYS HG3 3.098 . 4.298 3.904 2.121 4.353 0.055 12 0 "[ . 1 . 2]" 1
2273 1 109 SER HA 1 113 ASP H 3.434 . 4.908 4.176 3.931 4.354 . 0 0 "[ . 1 . 2]" 1
2274 1 109 SER QB 1 110 ARG H 2.725 . 5.000 3.685 3.573 3.780 . 0 0 "[ . 1 . 2]" 1
2275 1 109 SER QB 1 112 LYS HB3 3.145 . 4.381 3.632 2.997 4.471 0.090 6 0 "[ . 1 . 2]" 1
2276 1 109 SER QB 1 112 LYS QD 3.380 . 4.808 4.391 2.237 5.510 0.702 3 7 "[ -+*. * ** . *2]" 1
2277 1 110 ARG H 1 110 ARG HA 2.436 . 3.178 2.876 2.808 2.892 . 0 0 "[ . 1 . 2]" 1
2278 1 110 ARG H 1 110 ARG QD 3.726 . 5.035 4.083 3.793 4.750 . 0 0 "[ . 1 . 2]" 1
2279 1 110 ARG H 1 110 ARG QG 2.117 . 3.862 3.280 2.503 4.066 0.204 15 0 "[ . 1 . 2]" 1
2280 1 110 ARG H 1 111 TYR H 2.377 . 3.083 2.501 2.425 2.666 . 0 0 "[ . 1 . 2]" 1
2281 1 110 ARG H 1 112 LYS H 3.096 . 4.294 3.523 3.455 3.669 . 0 0 "[ . 1 . 2]" 1
2282 1 110 ARG HA 1 110 ARG HB2 2.333 . 3.014 2.740 2.423 3.025 0.011 11 0 "[ . 1 . 2]" 1
2283 1 110 ARG HA 1 110 ARG QD 3.134 . 4.362 3.229 1.977 4.201 0.023 5 0 "[ . 1 . 2]" 1
2284 1 110 ARG HA 1 110 ARG QG 2.442 . 3.188 2.647 2.380 3.046 . 0 0 "[ . 1 . 2]" 1
2285 1 110 ARG HA 1 111 TYR H 2.949 . 4.036 3.540 3.503 3.555 . 0 0 "[ . 1 . 2]" 1
2286 1 110 ARG HA 1 112 LYS H 3.352 . 4.757 3.769 3.671 3.987 . 0 0 "[ . 1 . 2]" 1
2287 1 110 ARG HA 1 113 ASP H 3.387 . 4.821 3.675 3.587 3.847 . 0 0 "[ . 1 . 2]" 1
2288 1 110 ARG HA 1 113 ASP HB2 3.015 . 4.152 3.428 3.259 3.504 . 0 0 "[ . 1 . 2]" 1
2289 1 110 ARG HA 1 113 ASP HB3 2.999 . 5.000 5.114 4.942 5.190 0.190 18 0 "[ . 1 . 2]" 1
2290 1 110 ARG HB2 1 111 TYR H 2.520 . 3.314 3.216 2.535 3.938 0.624 15 7 "[ .* *1 ** +- *]" 1
2291 1 110 ARG QG 1 111 TYR H 3.325 . 4.707 3.859 3.453 4.206 . 0 0 "[ . 1 . 2]" 1
2292 1 111 TYR H 1 111 TYR QB 2.679 . 3.304 2.473 2.364 2.517 . 0 0 "[ . 1 . 2]" 1
2293 1 111 TYR H 1 111 TYR QD 2.857 . 3.877 2.744 2.537 3.053 . 0 0 "[ . 1 . 2]" 1
2294 1 111 TYR H 1 112 LYS H 2.413 . 3.141 2.473 2.365 2.541 . 0 0 "[ . 1 . 2]" 1
2295 1 111 TYR H 1 112 LYS HA 3.790 . 5.585 5.007 4.941 5.148 . 0 0 "[ . 1 . 2]" 1
2296 1 111 TYR H 1 112 LYS HB2 3.306 . 5.000 4.470 4.249 4.776 . 0 0 "[ . 1 . 2]" 1
2297 1 111 TYR H 1 113 ASP H 3.789 . 5.584 4.238 4.136 4.338 . 0 0 "[ . 1 . 2]" 1
2298 1 111 TYR HA 1 111 TYR QB 2.526 . 3.324 2.345 2.324 2.393 . 0 0 "[ . 1 . 2]" 1
2299 1 111 TYR HA 1 111 TYR QD 2.443 . 3.189 2.594 2.354 2.743 . 0 0 "[ . 1 . 2]" 1
2300 1 111 TYR HA 1 111 TYR QE 3.114 . 5.000 4.550 4.408 4.641 . 0 0 "[ . 1 . 2]" 1
2301 1 111 TYR HA 1 114 ALA HA 3.311 . 4.681 4.000 3.213 4.807 0.126 8 0 "[ . 1 . 2]" 1
2302 1 111 TYR HA 1 114 ALA MB 2.874 . 3.906 3.192 2.131 3.907 0.001 6 0 "[ . 1 . 2]" 1
2303 1 111 TYR HA 1 115 ASP H 2.800 . 4.800 4.716 4.294 4.860 0.060 5 0 "[ . 1 . 2]" 1
2304 1 111 TYR QB 1 112 LYS H 3.178 . 4.229 3.353 3.199 3.425 . 0 0 "[ . 1 . 2]" 1
2305 1 111 TYR QD 1 114 ALA MB 3.897 . 5.795 4.249 2.963 5.020 . 0 0 "[ . 1 . 2]" 1
2306 1 112 LYS H 1 112 LYS HA 2.374 . 3.079 2.907 2.897 2.918 . 0 0 "[ . 1 . 2]" 1
2307 1 112 LYS H 1 112 LYS HB2 2.149 . 2.726 2.606 2.191 2.790 0.064 10 0 "[ . 1 . 2]" 1
2308 1 112 LYS H 1 112 LYS HG3 2.925 . 5.000 4.272 2.873 4.538 . 0 0 "[ . 1 . 2]" 1
2309 1 112 LYS H 1 113 ASP H 2.617 . 3.473 2.230 2.160 2.345 . 0 0 "[ . 1 . 2]" 1
2310 1 112 LYS HA 1 112 LYS HB3 2.180 . 2.774 2.964 2.594 3.028 0.254 8 0 "[ . 1 . 2]" 1
2311 1 112 LYS HA 1 112 LYS QD 2.578 . 5.000 2.990 2.017 4.070 . 0 0 "[ . 1 . 2]" 1
2312 1 112 LYS HA 1 112 LYS QE 3.178 . 4.441 4.479 4.081 5.115 0.674 12 3 "[ . 1 + -.* 2]" 1
2313 1 112 LYS HA 1 112 LYS HG2 2.655 . 3.536 3.350 2.318 3.849 0.313 10 0 "[ . 1 . 2]" 1
2314 1 112 LYS HA 1 112 LYS HG3 2.635 . 3.503 2.930 2.518 3.619 0.116 6 0 "[ . 1 . 2]" 1
2315 1 112 LYS HA 1 113 ASP H 2.327 . 5.000 3.494 3.472 3.511 . 0 0 "[ . 1 . 2]" 1
2316 1 112 LYS HB3 1 113 ASP H 2.562 . 5.000 2.901 2.713 3.560 . 0 0 "[ . 1 . 2]" 1
2317 1 112 LYS HG2 1 113 ASP H 3.589 . 5.199 4.583 4.002 5.108 . 0 0 "[ . 1 . 2]" 1
2318 1 113 ASP H 1 113 ASP HA 2.414 . 3.142 2.902 2.890 2.914 . 0 0 "[ . 1 . 2]" 1
2319 1 113 ASP H 1 113 ASP HB2 2.419 . 3.151 2.299 2.264 2.392 . 0 0 "[ . 1 . 2]" 1
2320 1 113 ASP H 1 113 ASP HB3 2.546 . 3.356 3.547 3.529 3.593 0.237 18 0 "[ . 1 . 2]" 1
2321 1 113 ASP H 1 114 ALA H 2.478 . 3.246 2.259 2.153 2.341 . 0 0 "[ . 1 . 2]" 1
2322 1 113 ASP HA 1 114 ALA H 2.408 . 5.000 3.483 3.393 3.535 . 0 0 "[ . 1 . 2]" 1
2323 1 113 ASP HB2 1 114 ALA H 2.796 . 3.773 2.952 2.737 3.232 . 0 0 "[ . 1 . 2]" 1
2324 1 113 ASP HB2 1 114 ALA HA 3.587 . 5.196 4.679 4.538 4.878 . 0 0 "[ . 1 . 2]" 1
2325 1 113 ASP HB3 1 114 ALA H 2.823 . 3.819 3.771 3.602 3.984 0.165 11 0 "[ . 1 . 2]" 1
2326 1 113 ASP HB3 1 114 ALA HA 3.493 . 5.018 4.913 4.463 5.238 0.220 20 0 "[ . 1 . 2]" 1
2327 1 114 ALA H 1 114 ALA HA 2.459 . 3.215 2.540 2.245 2.940 . 0 0 "[ . 1 . 2]" 1
2328 1 114 ALA H 1 114 ALA MB 2.156 . 2.737 2.614 2.253 2.829 0.092 17 0 "[ . 1 . 2]" 1
2329 1 114 ALA H 1 115 ASP H 2.518 . 3.311 3.108 2.447 3.386 0.075 18 0 "[ . 1 . 2]" 1
2330 1 114 ALA HA 1 114 ALA MB 1.949 . 2.424 2.124 2.119 2.131 . 0 0 "[ . 1 . 2]" 1
2331 1 114 ALA HA 1 115 ASP H 2.461 . 3.218 2.568 2.192 3.360 0.142 11 0 "[ . 1 . 2]" 1
2332 1 114 ALA MB 1 115 ASP H 2.717 . 3.640 3.474 3.099 3.700 0.060 2 0 "[ . 1 . 2]" 1
2333 1 115 ASP H 1 115 ASP HA 2.558 . 3.376 2.874 2.267 2.950 . 0 0 "[ . 1 . 2]" 1
2334 1 115 ASP H 1 115 ASP HB3 2.371 . 3.074 2.715 2.519 3.959 0.885 20 1 "[ . 1 . +]" 1
2335 1 115 ASP HA 1 115 ASP HB2 1.947 . 2.421 2.494 2.442 3.015 0.594 20 1 "[ . 1 . +]" 1
2336 2 2 SER HA 2 2 SER HB2 2.693 . 3.599 2.408 2.377 2.437 . 0 0 "[ . 1 . 2]" 1
2337 2 2 SER HA 2 2 SER HB3 2.630 . 3.495 3.026 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
2338 2 2 SER HA 2 3 PRO HD2 2.460 . 3.216 2.382 2.250 2.615 . 0 0 "[ . 1 . 2]" 1
2339 2 2 SER HA 2 3 PRO HD3 2.630 . 3.495 2.301 2.125 2.388 . 0 0 "[ . 1 . 2]" 1
2340 2 3 PRO HA 2 3 PRO HB2 2.538 . 3.343 2.791 2.717 2.984 . 0 0 "[ . 1 . 2]" 1
2341 2 3 PRO HA 2 3 PRO HD2 3.621 . 5.260 3.992 3.843 4.044 . 0 0 "[ . 1 . 2]" 1
2342 2 3 PRO HA 2 3 PRO HD3 3.668 . 5.350 3.676 3.623 3.773 . 0 0 "[ . 1 . 2]" 1
2343 2 3 PRO HA 2 3 PRO HG2 3.173 . 4.432 3.827 3.804 3.849 . 0 0 "[ . 1 . 2]" 1
2344 2 3 PRO HB2 2 3 PRO HD2 3.596 . 5.213 3.625 2.737 3.950 . 0 0 "[ . 1 . 2]" 1
2345 2 3 PRO HB2 2 3 PRO HD3 3.802 . 5.609 3.840 3.718 3.890 . 0 0 "[ . 1 . 2]" 1
2346 2 3 PRO HB2 2 3 PRO HG2 1.915 . 2.373 2.277 2.253 2.321 . 0 0 "[ . 1 . 2]" 1
2347 2 3 PRO HB3 2 3 PRO HD2 3.746 . 5.500 3.802 3.775 3.826 . 0 0 "[ . 1 . 2]" 1
2348 2 3 PRO HB3 2 3 PRO HD3 4.119 . 6.239 3.298 2.982 4.079 . 0 0 "[ . 1 . 2]" 1
2349 2 3 PRO HB3 2 3 PRO HG2 2.338 . 3.021 2.823 2.548 2.919 . 0 0 "[ . 1 . 2]" 1
2350 2 3 PRO HB3 2 3 PRO HG3 2.338 . 3.021 2.284 2.267 2.306 . 0 0 "[ . 1 . 2]" 1
2351 2 3 PRO HD2 2 3 PRO HG2 2.798 . 3.776 2.211 2.119 2.382 . 0 0 "[ . 1 . 2]" 1
2352 2 3 PRO HD2 2 3 PRO HG3 2.798 . 3.776 2.656 2.554 2.940 . 0 0 "[ . 1 . 2]" 1
2353 2 3 PRO HD3 2 3 PRO HG2 2.961 . 4.057 2.735 2.573 2.817 . 0 0 "[ . 1 . 2]" 1
2354 2 3 PRO HD3 2 3 PRO HG3 2.947 . 4.032 2.213 2.123 2.379 . 0 0 "[ . 1 . 2]" 1
2355 2 4 GLY HA2 2 5 TYR H 2.899 . 3.950 2.858 2.139 3.562 . 0 0 "[ . 1 . 2]" 1
2356 2 4 GLY HA3 2 5 TYR H 2.899 . 3.950 2.786 2.128 3.564 . 0 0 "[ . 1 . 2]" 1
2357 2 5 TYR H 2 5 TYR HB2 3.272 . 4.611 2.919 2.508 3.638 . 0 0 "[ . 1 . 2]" 1
2358 2 5 TYR H 2 5 TYR HB3 2.853 . 3.870 3.569 2.532 4.086 0.216 14 0 "[ . 1 . 2]" 1
2359 2 5 TYR HA 2 5 TYR HD1 3.375 . 4.799 3.786 2.725 4.289 . 0 0 "[ . 1 . 2]" 1
2360 2 5 TYR HA 2 6 PRO HD2 2.730 . 3.662 2.389 1.998 2.733 . 0 0 "[ . 1 . 2]" 1
2361 2 5 TYR HA 2 6 PRO HD3 2.454 . 3.207 2.426 2.036 2.818 . 0 0 "[ . 1 . 2]" 1
2362 2 5 TYR HA 2 6 PRO HG3 4.012 . 6.024 4.467 4.276 4.686 . 0 0 "[ . 1 . 2]" 1
2363 2 5 TYR HB2 2 5 TYR HD1 3.207 . 4.493 2.431 2.351 2.559 . 0 0 "[ . 1 . 2]" 1
2364 2 5 TYR HB2 2 6 PRO HD2 3.445 . 4.929 4.876 4.350 5.385 0.456 14 0 "[ . 1 . 2]" 1
2365 2 5 TYR HB2 2 6 PRO HD3 4.156 . 6.315 4.966 4.484 5.317 . 0 0 "[ . 1 . 2]" 1
2366 2 5 TYR HB3 2 5 TYR HD1 3.100 . 4.301 3.654 3.584 3.723 . 0 0 "[ . 1 . 2]" 1
2367 2 5 TYR HB3 2 6 PRO HD2 3.877 . 5.756 4.288 2.993 5.020 . 0 0 "[ . 1 . 2]" 1
2368 2 6 PRO HA 2 6 PRO HB2 2.538 . 3.343 2.848 2.697 2.983 . 0 0 "[ . 1 . 2]" 1
2369 2 6 PRO HA 2 6 PRO HG2 3.049 . 4.211 3.843 3.789 3.893 . 0 0 "[ . 1 . 2]" 1
2370 2 6 PRO HA 2 6 PRO HG3 3.049 . 4.211 3.458 2.911 4.019 . 0 0 "[ . 1 . 2]" 1
2371 2 6 PRO HA 2 7 ASN H 2.986 . 4.101 2.582 2.145 3.565 . 0 0 "[ . 1 . 2]" 1
2372 2 6 PRO HB2 2 6 PRO HD3 3.564 . 5.151 3.802 3.702 3.915 . 0 0 "[ . 1 . 2]" 1
2373 2 6 PRO HB2 2 6 PRO HG2 2.968 2.484 3.452 2.329 2.288 2.353 0.196 9 0 "[ . 1 . 2]" 1
2374 2 6 PRO HB3 2 6 PRO HD2 3.368 . 4.786 3.795 3.749 3.848 . 0 0 "[ . 1 . 2]" 1
2375 2 6 PRO HB3 2 6 PRO HD3 3.523 . 5.075 3.532 2.807 4.174 . 0 0 "[ . 1 . 2]" 1
2376 2 6 PRO HB3 2 6 PRO HG2 2.966 2.483 3.449 2.761 2.576 2.948 . 0 0 "[ . 1 . 2]" 1
2377 2 6 PRO HB3 2 6 PRO HG3 2.966 2.483 3.449 2.326 2.282 2.358 0.201 9 0 "[ . 1 . 2]" 1
2378 2 6 PRO HD2 2 6 PRO HG2 2.843 . 3.853 2.347 2.134 2.517 . 0 0 "[ . 1 . 2]" 1
2379 2 6 PRO HD2 2 6 PRO HG3 2.821 . 3.816 2.791 2.584 3.033 . 0 0 "[ . 1 . 2]" 1
2380 2 6 PRO HD3 2 6 PRO HG2 2.739 . 3.676 2.754 2.606 2.930 . 0 0 "[ . 1 . 2]" 1
2381 2 6 PRO HD3 2 6 PRO HG3 2.739 . 3.676 2.346 2.135 2.515 . 0 0 "[ . 1 . 2]" 1
2382 2 7 ASN H 2 7 ASN HB2 3.293 . 4.648 2.719 2.411 3.606 . 0 0 "[ . 1 . 2]" 1
2383 2 7 ASN HA 2 7 ASN HB2 2.884 . 3.924 2.919 2.461 3.032 . 0 0 "[ . 1 . 2]" 1
2384 2 8 GLY H 2 8 GLY HA2 2.991 . 4.110 2.723 2.357 2.959 . 0 0 "[ . 1 . 2]" 1
2385 2 8 GLY H 2 8 GLY HA3 2.991 . 4.110 2.747 2.353 2.959 . 0 0 "[ . 1 . 2]" 1
2386 2 8 GLY HA2 2 9 LEU H 2.643 . 3.516 2.708 2.131 3.556 0.040 12 0 "[ . 1 . 2]" 1
2387 2 8 GLY HA3 2 9 LEU H 2.643 . 3.516 3.025 2.132 3.558 0.042 7 0 "[ . 1 . 2]" 1
2388 2 9 LEU H 2 9 LEU HB2 2.517 . 3.309 2.734 2.474 3.646 0.337 14 0 "[ . 1 . 2]" 1
2389 2 9 LEU H 2 9 LEU HB3 3.000 2.237 3.763 3.784 3.667 4.049 0.286 14 0 "[ . 1 . 2]" 1
2390 2 9 LEU H 2 10 LEU H 3.084 . 4.273 3.202 1.938 4.394 0.121 19 0 "[ . 1 . 2]" 1
2391 2 9 LEU HA 2 9 LEU HB2 2.521 . 3.315 3.011 2.929 3.032 . 0 0 "[ . 1 . 2]" 1
2392 2 9 LEU HA 2 9 LEU HB3 2.649 . 3.526 2.472 2.261 2.534 . 0 0 "[ . 1 . 2]" 1
2393 2 9 LEU HA 2 9 LEU QD 2.942 . 3.407 2.244 2.072 3.051 . 0 0 "[ . 1 . 2]" 1
2394 2 9 LEU HA 2 9 LEU HG 2.521 . 3.315 2.226 2.037 2.311 . 0 0 "[ . 1 . 2]" 1
2395 2 9 LEU HA 2 10 LEU H 2.327 . 3.004 2.675 2.077 3.456 0.452 6 0 "[ . 1 . 2]" 1
2396 2 9 LEU HA 2 12 GLY QA 3.174 . 4.433 4.158 3.131 4.560 0.127 10 0 "[ . 1 . 2]" 1
2397 2 9 LEU HB2 2 9 LEU QD . 2.203 2.627 2.252 2.111 2.353 0.092 11 0 "[ . 1 . 2]" 1
2398 2 9 LEU HB3 2 9 LEU QD 2.800 2.227 3.010 2.131 2.092 2.159 0.135 12 0 "[ . 1 . 2]" 1
2399 2 9 LEU HB3 2 11 SER H 3.096 . 4.294 4.247 3.252 5.242 0.948 7 3 "[ .-+* 1 . 2]" 1
2400 2 9 LEU QD 2 9 LEU HG 2.084 . 2.627 1.891 1.880 1.899 . 0 0 "[ . 1 . 2]" 1
2401 2 9 LEU QD 2 10 LEU HA 2.445 . 3.192 5.300 4.858 5.504 2.312 1 20 [+*****************-*] 1
2402 2 10 LEU H 2 10 LEU HA 2.586 . 3.422 2.865 2.227 2.946 . 0 0 "[ . 1 . 2]" 1
2403 2 10 LEU H 2 10 LEU QB 2.373 . 3.077 2.489 2.269 3.296 0.219 19 0 "[ . 1 . 2]" 1
2404 2 10 LEU H 2 10 LEU MD2 3.440 . 4.919 3.738 3.246 4.559 . 0 0 "[ . 1 . 2]" 1
2405 2 10 LEU HA 2 10 LEU QB 2.512 . 3.301 2.389 2.352 2.423 . 0 0 "[ . 1 . 2]" 1
2406 2 10 LEU HA 2 10 LEU HG 2.512 . 3.301 3.097 2.898 3.245 . 0 0 "[ . 1 . 2]" 1
2407 2 10 LEU HA 2 11 SER H 2.444 . 3.191 3.160 2.162 3.396 0.205 15 0 "[ . 1 . 2]" 1
2408 2 10 LEU QB 2 10 LEU MD1 2.029 . 2.487 2.132 2.078 2.318 . 0 0 "[ . 1 . 2]" 1
2409 2 10 LEU QB 2 10 LEU MD2 3.203 . 4.485 2.216 2.062 2.292 . 0 0 "[ . 1 . 2]" 1
2410 2 10 LEU MD1 2 10 LEU HG 1.991 . 2.487 2.128 2.126 2.129 . 0 0 "[ . 1 . 2]" 1
2411 2 10 LEU MD2 2 10 LEU HG 2.068 . 2.602 2.128 2.124 2.136 . 0 0 "[ . 1 . 2]" 1
2412 2 11 SER H 2 11 SER HA 2.501 . 3.283 2.843 2.258 2.950 . 0 0 "[ . 1 . 2]" 1
2413 2 11 SER H 2 11 SER HB2 3.094 . 4.291 3.582 2.689 4.034 . 0 0 "[ . 1 . 2]" 1
2414 2 11 SER H 2 11 SER HB3 3.094 . 4.291 3.220 2.763 4.112 . 0 0 "[ . 1 . 2]" 1
2415 2 11 SER HA 2 11 SER HB2 2.315 . 2.985 2.538 2.351 3.030 0.045 10 0 "[ . 1 . 2]" 1
2416 2 11 SER HA 2 11 SER HB3 2.315 . 2.985 2.750 2.408 3.039 0.054 4 0 "[ . 1 . 2]" 1
2417 2 11 SER HA 2 12 GLY H 2.719 . 3.643 3.017 2.156 3.596 . 0 0 "[ . 1 . 2]" 1
2418 2 12 GLY H 2 12 GLY QA 2.649 . 3.526 2.319 2.204 2.496 . 0 0 "[ . 1 . 2]" 1
2419 2 12 GLY H 2 13 ASP H 2.375 . 3.080 2.785 2.032 3.258 0.178 1 0 "[ . 1 . 2]" 1
2420 2 12 GLY QA 2 13 ASP H 2.408 . 3.133 2.528 2.092 2.921 . 0 0 "[ . 1 . 2]" 1
2421 2 13 ASP H 2 13 ASP HA 2.559 . 3.378 2.938 2.886 2.949 . 0 0 "[ . 1 . 2]" 1
2422 2 13 ASP H 2 13 ASP HB2 2.275 . 2.922 2.833 2.599 3.834 0.912 12 2 "[ . - 1 + . 2]" 1
2423 2 13 ASP H 2 13 ASP HB3 2.804 . 3.786 3.589 2.728 3.888 0.102 1 0 "[ . 1 . 2]" 1
2424 2 13 ASP H 2 14 GLU H 2.469 . 3.231 1.865 1.650 2.041 0.057 1 0 "[ . 1 . 2]" 1
2425 2 13 ASP H 2 14 GLU HB2 4.000 2.992 5.008 3.842 3.725 3.947 . 0 0 "[ . 1 . 2]" 1
2426 2 13 ASP H 2 14 GLU HB3 4.000 2.959 5.041 5.248 5.177 5.325 0.284 13 0 "[ . 1 . 2]" 1
2427 2 13 ASP H 2 14 GLU HG3 3.214 . 4.505 3.574 3.054 4.788 0.283 10 0 "[ . 1 . 2]" 1
2428 2 13 ASP HA 2 13 ASP HB2 2.598 . 3.442 2.899 2.442 3.031 . 0 0 "[ . 1 . 2]" 1
2429 2 13 ASP HA 2 13 ASP HB3 2.523 . 3.319 2.584 2.438 3.024 . 0 0 "[ . 1 . 2]" 1
2430 2 13 ASP HA 2 14 GLU H 2.438 . 3.181 3.283 3.140 3.429 0.248 1 0 "[ . 1 . 2]" 1
2431 2 13 ASP HA 2 14 GLU HA 3.643 . 5.301 4.604 4.521 4.663 . 0 0 "[ . 1 . 2]" 1
2432 2 13 ASP HA 2 16 PHE QD 3.876 . 5.754 3.665 2.386 8.122 2.368 15 1 "[ . 1 + 2]" 1
2433 2 14 GLU H 2 14 GLU HA 2.521 . 3.316 2.919 2.905 2.936 . 0 0 "[ . 1 . 2]" 1
2434 2 14 GLU H 2 14 GLU HB2 2.443 . 3.189 2.421 2.352 2.535 . 0 0 "[ . 1 . 2]" 1
2435 2 14 GLU H 2 14 GLU HB3 2.495 . 3.273 3.616 3.568 3.690 0.417 2 0 "[ . 1 . 2]" 1
2436 2 14 GLU H 2 14 GLU HG3 2.691 . 3.596 2.854 2.565 3.904 0.308 10 0 "[ . 1 . 2]" 1
2437 2 14 GLU H 2 15 ASP QB 2.993 . 4.113 3.979 3.595 4.268 0.155 1 0 "[ . 1 . 2]" 1
2438 2 14 GLU HA 2 14 GLU HB2 2.552 . 3.366 3.004 2.992 3.007 . 0 0 "[ . 1 . 2]" 1
2439 2 14 GLU HA 2 14 GLU HB3 2.509 . 3.296 2.490 2.448 2.527 . 0 0 "[ . 1 . 2]" 1
2440 2 14 GLU HA 2 14 GLU HG2 2.538 . 3.343 2.533 2.242 3.101 . 0 0 "[ . 1 . 2]" 1
2441 2 14 GLU HA 2 14 GLU HG3 2.538 . 3.343 3.088 2.960 3.766 0.423 10 0 "[ . 1 . 2]" 1
2442 2 14 GLU HA 2 15 ASP H 2.298 . 2.958 3.130 3.033 3.269 0.311 4 0 "[ . 1 . 2]" 1
2443 2 14 GLU HA 2 15 ASP HA 3.344 . 4.741 4.632 4.553 4.781 0.040 15 0 "[ . 1 . 2]" 1
2444 2 14 GLU HB2 2 14 GLU HG2 2.235 . 2.860 2.962 2.425 3.013 0.153 3 0 "[ . 1 . 2]" 1
2445 2 14 GLU HB2 2 14 GLU HG3 2.235 . 2.860 2.415 2.248 2.466 . 0 0 "[ . 1 . 2]" 1
2446 2 14 GLU HB2 2 15 ASP H 2.838 . 3.845 3.660 3.324 3.807 . 0 0 "[ . 1 . 2]" 1
2447 2 14 GLU HB3 2 14 GLU HG2 2.802 2.250 3.354 2.483 2.402 2.996 . 0 0 "[ . 1 . 2]" 1
2448 2 14 GLU HB3 2 14 GLU HG3 2.802 2.250 3.354 2.972 2.442 3.006 . 0 0 "[ . 1 . 2]" 1
2449 2 14 GLU HB3 2 15 ASP H 2.865 . 3.891 4.243 4.089 4.301 0.410 16 0 "[ . 1 . 2]" 1
2450 2 15 ASP H 2 15 ASP HA 2.689 . 3.593 2.924 2.835 2.949 . 0 0 "[ . 1 . 2]" 1
2451 2 15 ASP H 2 15 ASP QB 2.306 . 2.971 2.402 2.262 2.562 . 0 0 "[ . 1 . 2]" 1
2452 2 15 ASP HA 2 15 ASP QB 2.297 . 2.956 2.398 2.184 2.496 . 0 0 "[ . 1 . 2]" 1
2453 2 15 ASP HA 2 16 PHE H 3.000 2.336 3.664 3.381 3.186 3.548 . 0 0 "[ . 1 . 2]" 1
2454 2 15 ASP HA 2 18 SER HB3 3.600 2.700 4.500 4.058 3.177 4.555 0.055 4 0 "[ . 1 . 2]" 1
2455 2 16 PHE H 2 16 PHE HA 2.304 . 2.968 2.911 2.852 2.931 . 0 0 "[ . 1 . 2]" 1
2456 2 16 PHE H 2 16 PHE HB2 2.685 . 3.586 2.579 2.347 3.710 0.124 9 0 "[ . 1 . 2]" 1
2457 2 16 PHE H 2 16 PHE HB3 2.874 . 3.907 3.494 2.470 3.708 . 0 0 "[ . 1 . 2]" 1
2458 2 16 PHE H 2 16 PHE QD 2.905 . 3.960 2.831 1.876 4.217 0.257 15 0 "[ . 1 . 2]" 1
2459 2 16 PHE H 2 17 SER H 2.501 . 3.283 2.349 2.204 2.656 . 0 0 "[ . 1 . 2]" 1
2460 2 16 PHE HA 2 16 PHE HB2 2.781 . 3.747 2.929 2.368 3.029 . 0 0 "[ . 1 . 2]" 1
2461 2 16 PHE HA 2 16 PHE HB3 2.624 . 3.484 2.556 2.426 3.019 . 0 0 "[ . 1 . 2]" 1
2462 2 16 PHE HA 2 16 PHE QD 2.967 . 4.067 2.877 2.479 3.739 . 0 0 "[ . 1 . 2]" 1
2463 2 16 PHE HA 2 17 SER H 2.472 . 3.236 3.355 3.295 3.506 0.270 15 0 "[ . 1 . 2]" 1
2464 2 16 PHE HA 2 19 ILE HB 3.800 2.800 4.800 4.895 3.494 5.441 0.641 7 11 "[ ****+- ** . * **]" 1
2465 2 16 PHE HA 2 19 ILE MD 3.426 . 4.893 3.230 2.625 4.917 0.024 16 0 "[ . 1 . 2]" 1
2466 2 16 PHE HA 2 19 ILE MG 3.447 . 4.932 4.130 3.482 4.940 0.008 16 0 "[ . 1 . 2]" 1
2467 2 16 PHE HB2 2 16 PHE QD 3.035 . 4.187 2.344 2.272 2.485 . 0 0 "[ . 1 . 2]" 1
2468 2 16 PHE HB3 2 16 PHE QD 3.031 . 4.179 2.460 2.323 2.589 . 0 0 "[ . 1 . 2]" 1
2469 2 16 PHE HB3 2 17 SER H 3.101 . 4.303 4.054 2.639 4.435 0.132 9 0 "[ . 1 . 2]" 1
2470 2 16 PHE QD 2 17 SER H 3.355 . 4.762 4.465 3.317 4.859 0.097 5 0 "[ . 1 . 2]" 1
2471 2 17 SER H 2 17 SER HA 2.729 . 3.660 2.898 2.881 2.921 . 0 0 "[ . 1 . 2]" 1
2472 2 17 SER H 2 17 SER QB 2.682 . 3.509 2.659 2.590 2.776 . 0 0 "[ . 1 . 2]" 1
2473 2 17 SER HA 2 17 SER QB 2.213 . 2.825 2.184 2.181 2.188 . 0 0 "[ . 1 . 2]" 1
2474 2 17 SER HA 2 18 SER H 3.049 . 4.211 3.327 3.305 3.395 . 0 0 "[ . 1 . 2]" 1
2475 2 17 SER HA 2 20 ALA MB 3.348 . 4.750 2.157 1.977 2.236 . 0 0 "[ . 1 . 2]" 1
2476 2 17 SER HA 2 21 ASP H 3.373 . 4.796 4.359 4.086 4.807 0.011 6 0 "[ . 1 . 2]" 1
2477 2 18 SER H 2 18 SER HB3 3.376 . 4.801 2.736 2.495 3.630 . 0 0 "[ . 1 . 2]" 1
2478 2 18 SER HA 2 18 SER HB2 2.154 . 2.734 2.472 2.333 3.011 0.277 15 0 "[ . 1 . 2]" 1
2479 2 18 SER HA 2 18 SER HB3 2.154 . 2.734 2.469 2.431 2.557 . 0 0 "[ . 1 . 2]" 1
2480 2 18 SER HA 2 19 ILE H 3.000 2.285 3.715 3.512 3.488 3.532 . 0 0 "[ . 1 . 2]" 1
2481 2 18 SER HA 2 19 ILE HA 3.272 . 4.610 4.658 4.641 4.677 0.067 7 0 "[ . 1 . 2]" 1
2482 2 18 SER HA 2 21 ASP HB2 3.800 2.800 4.800 3.038 2.221 4.090 0.579 3 1 "[ + . 1 . 2]" 1
2483 2 18 SER HB3 2 19 ILE H 2.892 . 3.938 3.939 3.790 4.034 0.096 9 0 "[ . 1 . 2]" 1
2484 2 19 ILE H 2 19 ILE HA 2.802 . 3.783 2.905 2.893 2.914 . 0 0 "[ . 1 . 2]" 1
2485 2 19 ILE H 2 19 ILE HB 2.498 . 3.278 3.367 2.431 3.689 0.411 14 0 "[ . 1 . 2]" 1
2486 2 19 ILE H 2 19 ILE HG12 2.769 . 3.727 2.502 2.023 3.937 0.210 2 0 "[ . 1 . 2]" 1
2487 2 19 ILE H 2 19 ILE HG13 2.877 . 3.912 2.936 2.583 3.961 0.049 16 0 "[ . 1 . 2]" 1
2488 2 19 ILE H 2 19 ILE MG 2.887 . 3.929 2.847 2.407 3.831 . 0 0 "[ . 1 . 2]" 1
2489 2 19 ILE H 2 20 ALA H 2.763 . 3.717 2.284 2.240 2.341 . 0 0 "[ . 1 . 2]" 1
2490 2 19 ILE HA 2 19 ILE HB 2.563 . 3.384 2.611 2.425 3.032 . 0 0 "[ . 1 . 2]" 1
2491 2 19 ILE HA 2 19 ILE MD 2.871 . 3.901 4.062 2.106 4.256 0.355 9 0 "[ . 1 . 2]" 1
2492 2 19 ILE HA 2 19 ILE HG12 3.052 . 4.216 3.546 2.571 3.865 . 0 0 "[ . 1 . 2]" 1
2493 2 19 ILE HA 2 19 ILE HG13 2.882 . 3.920 3.532 2.863 3.727 . 0 0 "[ . 1 . 2]" 1
2494 2 19 ILE HA 2 19 ILE MG 2.430 . 3.168 2.454 2.384 2.557 . 0 0 "[ . 1 . 2]" 1
2495 2 19 ILE HA 2 20 ALA H 3.380 2.726 4.034 3.458 3.390 3.494 . 0 0 "[ . 1 . 2]" 1
2496 2 19 ILE HA 2 20 ALA HA 3.253 . 4.576 4.627 4.605 4.649 0.073 14 0 "[ . 1 . 2]" 1
2497 2 19 ILE HA 2 20 ALA MB 3.713 . 5.436 4.974 4.926 5.004 . 0 0 "[ . 1 . 2]" 1
2498 2 19 ILE HA 2 22 MET QB 3.082 . 4.270 3.329 2.778 3.727 . 0 0 "[ . 1 . 2]" 1
2499 2 19 ILE HA 2 22 MET ME 3.555 . 5.135 5.375 3.223 5.980 0.845 7 11 "[* ***+ 1 *-* * **]" 1
2500 2 19 ILE HA 2 22 MET HG2 3.913 . 5.827 3.773 2.831 5.035 . 0 0 "[ . 1 . 2]" 1
2501 2 19 ILE HB 2 19 ILE MD 2.663 . 3.549 2.419 2.311 3.263 . 0 0 "[ . 1 . 2]" 1
2502 2 19 ILE HB 2 19 ILE HG12 2.761 . 3.714 2.997 2.387 3.033 . 0 0 "[ . 1 . 2]" 1
2503 2 19 ILE HB 2 19 ILE MG 2.195 . 2.797 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
2504 2 19 ILE HB 2 20 ALA H 2.855 . 3.874 3.803 2.962 4.164 0.290 14 0 "[ . 1 . 2]" 1
2505 2 19 ILE MD 2 19 ILE HG12 2.390 . 3.104 2.118 2.112 2.123 . 0 0 "[ . 1 . 2]" 1
2506 2 19 ILE MD 2 19 ILE HG13 2.377 . 3.083 2.123 2.116 2.128 . 0 0 "[ . 1 . 2]" 1
2507 2 19 ILE MD 2 22 MET QB 2.829 . 3.829 5.648 4.095 6.060 2.231 20 19 "[*************-* ***+]" 1
2508 2 19 ILE MD 2 22 MET ME 3.410 . 4.863 7.000 4.236 7.986 3.123 19 18 "[*********** *** *-+*]" 1
2509 2 19 ILE HG12 2 19 ILE MG 2.693 . 3.600 2.421 2.324 3.203 . 0 0 "[ . 1 . 2]" 1
2510 2 19 ILE HG13 2 19 ILE MG 2.705 . 3.620 3.172 2.267 3.224 . 0 0 "[ . 1 . 2]" 1
2511 2 19 ILE MG 2 20 ALA H 2.842 . 3.852 4.002 3.586 4.188 0.336 19 0 "[ . 1 . 2]" 1
2512 2 19 ILE MG 2 20 ALA HA 3.034 . 4.184 5.106 3.591 5.629 1.445 20 15 "[* ********* -. ***+]" 1
2513 2 19 ILE MG 2 20 ALA MB 3.015 . 4.152 4.846 3.926 5.197 1.045 19 15 "[* ********* -. **+*]" 1
2514 2 19 ILE MG 2 22 MET QB 2.755 . 3.704 4.399 3.392 4.895 1.191 7 15 "[* ****+***- *. ****]" 1
2515 2 19 ILE MG 2 22 MET ME 3.170 . 4.427 5.613 4.371 6.352 1.925 5 14 "[*-**+** *1 *** * **]" 1
2516 2 20 ALA H 2 20 ALA HA 2.624 . 3.485 2.888 2.875 2.898 . 0 0 "[ . 1 . 2]" 1
2517 2 20 ALA H 2 20 ALA MB 2.338 . 3.021 2.303 2.281 2.318 . 0 0 "[ . 1 . 2]" 1
2518 2 20 ALA H 2 21 ASP H 2.657 . 3.539 2.493 2.411 2.585 . 0 0 "[ . 1 . 2]" 1
2519 2 20 ALA HA 2 20 ALA MB 2.118 . 2.679 2.120 2.105 2.128 . 0 0 "[ . 1 . 2]" 1
2520 2 20 ALA HA 2 21 ASP H 2.346 . 3.034 3.158 3.124 3.216 0.182 18 0 "[ . 1 . 2]" 1
2521 2 20 ALA HA 2 21 ASP HA 3.329 . 4.714 4.626 4.593 4.648 . 0 0 "[ . 1 . 2]" 1
2522 2 20 ALA HA 2 22 MET QB 3.477 . 4.988 4.565 4.192 4.796 . 0 0 "[ . 1 . 2]" 1
2523 2 20 ALA HA 2 23 ASP H 2.435 . 3.176 2.963 2.685 3.162 . 0 0 "[ . 1 . 2]" 1
2524 2 20 ALA HA 2 23 ASP QB 3.462 . 4.960 2.234 1.989 2.410 . 0 0 "[ . 1 . 2]" 1
2525 2 20 ALA MB 2 21 ASP H 2.561 . 3.381 3.373 3.281 3.419 0.038 5 0 "[ . 1 . 2]" 1
2526 2 20 ALA MB 2 21 ASP HA 3.630 . 5.277 4.244 4.205 4.268 . 0 0 "[ . 1 . 2]" 1
2527 2 21 ASP H 2 21 ASP HB2 2.660 . 3.545 2.537 2.168 3.397 . 0 0 "[ . 1 . 2]" 1
2528 2 21 ASP H 2 21 ASP HB3 2.487 . 3.260 2.995 2.245 3.595 0.335 14 0 "[ . 1 . 2]" 1
2529 2 21 ASP H 2 22 MET H 2.600 . 3.600 2.154 2.046 2.218 . 0 0 "[ . 1 . 2]" 1
2530 2 21 ASP HA 2 21 ASP HB2 2.481 . 3.250 2.728 2.270 3.034 . 0 0 "[ . 1 . 2]" 1
2531 2 21 ASP HA 2 21 ASP HB3 2.233 . 2.857 2.849 2.558 3.041 0.184 12 0 "[ . 1 . 2]" 1
2532 2 21 ASP HA 2 24 PHE H 2.459 . 3.215 3.266 3.081 3.343 0.128 4 0 "[ . 1 . 2]" 1
2533 2 21 ASP HA 2 24 PHE QB 4.100 3.200 5.100 2.972 2.575 3.395 0.625 18 2 "[ . - 1 . + 2]" 1
2534 2 21 ASP HB2 2 22 MET H 3.003 . 4.130 3.467 2.859 4.209 0.079 2 0 "[ . 1 . 2]" 1
2535 2 21 ASP HB3 2 22 MET H 3.288 . 4.640 3.158 2.688 3.783 . 0 0 "[ . 1 . 2]" 1
2536 2 22 MET H 2 22 MET QB 2.405 . 3.128 2.361 2.295 2.425 . 0 0 "[ . 1 . 2]" 1
2537 2 22 MET H 2 23 ASP H 2.728 . 3.658 2.452 2.398 2.496 . 0 0 "[ . 1 . 2]" 1
2538 2 22 MET HA 2 22 MET QB 2.300 . 2.961 2.390 2.360 2.415 . 0 0 "[ . 1 . 2]" 1
2539 2 22 MET HA 2 22 MET ME 3.027 . 4.172 3.359 2.772 4.710 0.538 12 1 "[ . 1 + . 2]" 1
2540 2 22 MET HA 2 22 MET HG2 2.848 . 3.862 2.894 2.522 3.084 . 0 0 "[ . 1 . 2]" 1
2541 2 22 MET HA 2 22 MET HG3 3.068 . 4.245 3.482 2.875 3.734 . 0 0 "[ . 1 . 2]" 1
2542 2 22 MET HA 2 25 SER QB 3.205 . 4.489 4.018 3.477 4.415 . 0 0 "[ . 1 . 2]" 1
2543 2 22 MET QB 2 22 MET HG2 2.526 . 3.323 2.332 2.293 2.352 . 0 0 "[ . 1 . 2]" 1
2544 2 22 MET QB 2 22 MET HG3 2.541 . 3.348 2.229 2.158 2.406 . 0 0 "[ . 1 . 2]" 1
2545 2 22 MET QB 2 23 ASP H 2.731 . 3.663 2.980 2.846 3.063 . 0 0 "[ . 1 . 2]" 1
2546 2 22 MET QB 2 23 ASP HA 3.276 . 4.618 4.047 4.011 4.112 . 0 0 "[ . 1 . 2]" 1
2547 2 22 MET ME 2 22 MET HG2 3.015 . 4.151 3.106 2.375 3.422 . 0 0 "[ . 1 . 2]" 1
2548 2 22 MET ME 2 22 MET HG3 3.131 . 4.356 2.667 2.333 3.402 . 0 0 "[ . 1 . 2]" 1
2549 2 23 ASP H 2 23 ASP QB 2.503 . 3.170 2.184 2.071 2.260 . 0 0 "[ . 1 . 2]" 1
2550 2 23 ASP H 2 24 PHE H 2.600 . 3.600 2.513 2.390 2.619 . 0 0 "[ . 1 . 2]" 1
2551 2 23 ASP HA 2 23 ASP QB 2.267 . 2.910 2.446 2.375 2.496 . 0 0 "[ . 1 . 2]" 1
2552 2 23 ASP HA 2 26 ALA MB 3.018 . 4.156 3.714 3.242 4.144 . 0 0 "[ . 1 . 2]" 1
2553 2 23 ASP QB 2 24 PHE H 3.064 . 4.237 2.847 2.742 2.924 . 0 0 "[ . 1 . 2]" 1
2554 2 24 PHE H 2 24 PHE QB 2.698 . 3.425 2.198 2.078 2.420 . 0 0 "[ . 1 . 2]" 1
2555 2 24 PHE H 2 25 SER H 2.500 . 3.500 2.471 2.395 2.586 . 0 0 "[ . 1 . 2]" 1
2556 2 24 PHE HA 2 24 PHE QB 2.621 . 3.480 2.481 2.377 2.540 . 0 0 "[ . 1 . 2]" 1
2557 2 24 PHE HA 2 24 PHE QD 2.940 . 4.021 2.822 1.796 3.134 0.063 11 0 "[ . 1 . 2]" 1
2558 2 24 PHE HA 2 25 SER H 2.622 . 3.481 3.471 3.419 3.545 0.064 11 0 "[ . 1 . 2]" 1
2559 2 24 PHE HA 2 27 LEU H 4.000 3.000 5.000 3.482 3.334 3.630 . 0 0 "[ . 1 . 2]" 1
2560 2 24 PHE HA 2 27 LEU HB2 3.147 . 4.385 2.899 2.266 4.482 0.097 17 0 "[ . 1 . 2]" 1
2561 2 24 PHE HA 2 27 LEU HB3 3.598 . 5.216 4.055 2.150 4.665 . 0 0 "[ . 1 . 2]" 1
2562 2 24 PHE HA 2 27 LEU QD 2.958 . 4.052 2.324 1.381 3.184 0.483 17 0 "[ . 1 . 2]" 1
2563 2 24 PHE HA 2 27 LEU HG 3.521 . 5.070 3.572 2.475 4.753 . 0 0 "[ . 1 . 2]" 1
2564 2 24 PHE QB 2 24 PHE QD 3.012 . 4.146 2.136 2.100 2.287 . 0 0 "[ . 1 . 2]" 1
2565 2 24 PHE QB 2 25 SER H 2.924 . 3.993 3.036 2.696 3.198 . 0 0 "[ . 1 . 2]" 1
2566 2 24 PHE QB 2 27 LEU QD 3.695 . 5.401 3.966 2.998 4.586 . 0 0 "[ . 1 . 2]" 1
2567 2 24 PHE QD 2 28 LEU QD 3.229 . 4.532 3.348 2.246 5.259 0.727 6 1 "[ .+ 1 . 2]" 1
2568 2 24 PHE QE 2 28 LEU QD 3.254 . 4.578 3.509 1.963 5.956 1.378 6 3 "[ *+ 1 .- 2]" 1
2569 2 25 SER H 2 25 SER HA 2.659 . 3.543 2.874 2.810 2.904 . 0 0 "[ . 1 . 2]" 1
2570 2 25 SER H 2 25 SER QB 2.393 . 3.098 2.583 2.434 2.694 . 0 0 "[ . 1 . 2]" 1
2571 2 25 SER H 2 26 ALA H 2.685 . 3.586 2.486 2.349 2.739 . 0 0 "[ . 1 . 2]" 1
2572 2 25 SER HA 2 25 SER QB 2.300 . 2.895 2.186 2.178 2.193 . 0 0 "[ . 1 . 2]" 1
2573 2 25 SER HA 2 26 ALA H 2.619 . 3.477 3.453 3.411 3.518 0.041 11 0 "[ . 1 . 2]" 1
2574 2 25 SER HA 2 28 LEU H 3.100 2.500 3.700 3.729 3.239 3.796 0.096 17 0 "[ . 1 . 2]" 1
2575 2 25 SER HA 2 28 LEU HB2 3.292 . 4.647 3.918 2.356 4.772 0.125 12 0 "[ . 1 . 2]" 1
2576 2 25 SER HA 2 28 LEU QD 3.107 . 4.313 3.770 2.905 4.557 0.244 16 0 "[ . 1 . 2]" 1
2577 2 25 SER HA 2 28 LEU HG 3.214 . 4.505 4.934 4.161 6.254 1.749 6 6 "[ .+ *1 * -.* *]" 1
2578 2 25 SER QB 2 26 ALA H 3.078 . 4.263 3.645 3.501 3.727 . 0 0 "[ . 1 . 2]" 1
2579 2 25 SER QB 2 26 ALA MB 3.570 . 5.163 4.530 4.403 4.635 . 0 0 "[ . 1 . 2]" 1
2580 2 26 ALA H 2 26 ALA HA 2.559 . 3.377 2.913 2.885 2.918 . 0 0 "[ . 1 . 2]" 1
2581 2 26 ALA H 2 26 ALA MB 2.414 . 3.142 2.300 2.266 2.308 . 0 0 "[ . 1 . 2]" 1
2582 2 26 ALA H 2 27 LEU H 2.731 . 3.663 2.313 2.278 2.392 . 0 0 "[ . 1 . 2]" 1
2583 2 26 ALA HA 2 26 ALA MB 2.095 . 2.644 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
2584 2 26 ALA HA 2 27 LEU H 3.308 2.642 3.974 3.400 3.288 3.477 . 0 0 "[ . 1 . 2]" 1
2585 2 26 ALA HA 2 29 SER H 3.400 2.700 4.100 3.726 3.500 3.891 . 0 0 "[ . 1 . 2]" 1
2586 2 26 ALA HA 2 29 SER QB 3.500 2.500 4.500 3.938 2.804 4.655 0.155 7 0 "[ . 1 . 2]" 1
2587 2 26 ALA MB 2 27 LEU H 2.646 . 3.521 3.061 2.803 3.232 . 0 0 "[ . 1 . 2]" 1
2588 2 27 LEU H 2 27 LEU HA 2.308 . 2.974 2.891 2.880 2.901 . 0 0 "[ . 1 . 2]" 1
2589 2 27 LEU H 2 27 LEU HB2 2.238 . 2.864 2.442 2.100 3.613 0.749 17 1 "[ . 1 . + 2]" 1
2590 2 27 LEU H 2 27 LEU HB3 2.574 . 3.402 3.384 2.377 3.584 0.182 1 0 "[ . 1 . 2]" 1
2591 2 27 LEU H 2 27 LEU QD 3.139 . 4.371 3.343 3.037 3.797 . 0 0 "[ . 1 . 2]" 1
2592 2 27 LEU H 2 28 LEU H 2.600 . 3.600 2.387 2.316 2.427 . 0 0 "[ . 1 . 2]" 1
2593 2 27 LEU HA 2 27 LEU HB2 2.405 . 3.128 2.909 2.368 3.011 . 0 0 "[ . 1 . 2]" 1
2594 2 27 LEU HA 2 27 LEU HB3 2.406 . 3.129 2.569 2.469 3.015 . 0 0 "[ . 1 . 2]" 1
2595 2 27 LEU HA 2 27 LEU QD . 2.141 2.984 2.259 2.010 3.336 0.352 17 0 "[ . 1 . 2]" 1
2596 2 27 LEU HA 2 27 LEU HG 2.550 . 3.363 3.002 2.542 3.714 0.351 17 0 "[ . 1 . 2]" 1
2597 2 27 LEU HA 2 30 GLN QG 3.429 . 4.899 2.626 2.145 4.967 0.068 17 0 "[ . 1 . 2]" 1
2598 2 27 LEU HB2 2 27 LEU QD 2.900 2.370 3.430 2.227 2.107 2.352 0.263 17 0 "[ . 1 . 2]" 1
2599 2 27 LEU HB2 2 27 LEU HG 2.600 2.283 2.917 2.566 2.408 3.001 0.084 17 0 "[ . 1 . 2]" 1
2600 2 27 LEU HB3 2 27 LEU QD . 2.392 2.705 2.125 2.089 2.190 0.303 10 0 "[ . 1 . 2]" 1
2601 2 27 LEU HB3 2 27 LEU HG 2.600 2.307 2.893 2.958 2.601 3.017 0.124 20 0 "[ . 1 . 2]" 1
2602 2 27 LEU QD 2 27 LEU HG 2.198 . 2.544 1.893 1.886 1.897 . 0 0 "[ . 1 . 2]" 1
2603 2 27 LEU QD 2 28 LEU H 2.884 . 4.924 4.087 2.402 4.432 . 0 0 "[ . 1 . 2]" 1
2604 2 27 LEU QD 2 30 GLN QG 3.762 . 5.532 3.566 3.250 5.166 . 0 0 "[ . 1 . 2]" 1
2605 2 28 LEU H 2 28 LEU HA 2.420 . 3.152 2.900 2.836 2.934 . 0 0 "[ . 1 . 2]" 1
2606 2 28 LEU H 2 28 LEU HB2 2.261 . 2.900 2.504 2.023 2.861 . 0 0 "[ . 1 . 2]" 1
2607 2 28 LEU H 2 28 LEU HB3 3.000 2.297 3.703 3.208 2.367 3.644 . 0 0 "[ . 1 . 2]" 1
2608 2 28 LEU H 2 29 SER H 2.482 . 3.252 2.306 2.124 2.536 . 0 0 "[ . 1 . 2]" 1
2609 2 28 LEU HA 2 28 LEU HB2 2.402 . 3.123 2.818 2.409 3.020 . 0 0 "[ . 1 . 2]" 1
2610 2 28 LEU HA 2 28 LEU HB3 2.357 . 3.051 2.704 2.485 3.025 . 0 0 "[ . 1 . 2]" 1
2611 2 28 LEU HA 2 28 LEU HG 2.496 . 3.275 3.024 2.760 3.352 0.077 11 0 "[ . 1 . 2]" 1
2612 2 28 LEU HA 2 29 SER H 2.579 . 3.410 3.449 3.390 3.493 0.083 11 0 "[ . 1 . 2]" 1
2613 2 28 LEU HB2 2 28 LEU QD 2.324 . 2.589 2.212 2.092 2.410 . 0 0 "[ . 1 . 2]" 1
2614 2 28 LEU HB3 2 28 LEU QD 2.287 . 2.941 2.159 2.098 2.323 . 0 0 "[ . 1 . 2]" 1
2615 2 28 LEU HG 2 29 SER H 2.974 . 4.080 4.377 3.822 5.057 0.977 10 2 "[ - + . 2]" 1
2616 2 29 SER H 2 29 SER HA 2.939 . 4.019 2.927 2.896 2.947 . 0 0 "[ . 1 . 2]" 1
2617 2 29 SER H 2 29 SER HB2 2.670 . 3.561 3.367 2.511 3.732 0.171 7 0 "[ . 1 . 2]" 1
2618 2 29 SER HA 2 29 SER HB3 2.102 . 2.654 2.517 2.411 3.033 0.379 11 0 "[ . 1 . 2]" 1
2619 2 29 SER HA 2 30 GLN H 2.728 . 3.658 3.091 2.179 3.595 . 0 0 "[ . 1 . 2]" 1
2620 2 30 GLN H 2 30 GLN HA 2.675 . 3.569 2.558 2.255 2.945 . 0 0 "[ . 1 . 2]" 1
2621 2 30 GLN H 2 30 GLN HB2 2.884 . 3.924 2.995 2.184 3.677 . 0 0 "[ . 1 . 2]" 1
2622 2 30 GLN H 2 30 GLN HB3 3.408 . 4.860 3.764 2.601 4.086 . 0 0 "[ . 1 . 2]" 1
2623 2 30 GLN H 2 31 ILE H 2.692 . 3.598 3.371 2.449 3.650 0.052 3 0 "[ . 1 . 2]" 1
2624 2 30 GLN HA 2 30 GLN HB2 2.783 . 3.751 2.940 2.395 3.029 . 0 0 "[ . 1 . 2]" 1
2625 2 30 GLN HA 2 30 GLN HB3 2.699 . 3.610 2.621 2.486 3.025 . 0 0 "[ . 1 . 2]" 1
2626 2 30 GLN HA 2 30 GLN QG 2.686 . 3.588 2.379 2.239 3.352 . 0 0 "[ . 1 . 2]" 1
2627 2 30 GLN HA 2 31 ILE H 2.449 . 3.199 2.442 2.138 3.307 0.108 16 0 "[ . 1 . 2]" 1
2628 2 30 GLN HB2 2 30 GLN QG 2.358 . 3.053 2.338 2.265 2.388 . 0 0 "[ . 1 . 2]" 1
2629 2 30 GLN HB2 2 31 ILE H 3.352 . 4.756 4.420 3.592 4.645 . 0 0 "[ . 1 . 2]" 1
2630 2 30 GLN HB3 2 30 GLN QG 1.929 . 2.394 2.352 2.299 2.425 0.031 3 0 "[ . 1 . 2]" 1
2631 2 30 GLN HB3 2 31 ILE H 3.481 . 4.996 4.036 3.772 4.432 . 0 0 "[ . 1 . 2]" 1
2632 2 30 GLN HE21 2 30 GLN QG 3.594 . 5.208 2.294 2.099 2.907 . 0 0 "[ . 1 . 2]" 1
2633 2 30 GLN HE22 2 30 GLN QG 3.154 . 4.397 3.280 3.220 3.522 . 0 0 "[ . 1 . 2]" 1
2634 2 30 GLN QG 2 31 ILE H 3.541 . 5.108 4.218 3.179 4.677 . 0 0 "[ . 1 . 2]" 1
2635 2 31 ILE H 2 31 ILE HA 2.892 . 3.938 2.905 2.268 2.954 . 0 0 "[ . 1 . 2]" 1
2636 2 31 ILE H 2 31 ILE HB 2.765 . 3.721 2.734 2.384 3.770 0.049 10 0 "[ . 1 . 2]" 1
2637 2 31 ILE H 2 31 ILE HG12 2.874 . 3.906 3.938 2.324 4.275 0.369 4 0 "[ . 1 . 2]" 1
2638 2 31 ILE H 2 31 ILE HG13 3.161 . 4.410 2.850 2.589 3.081 . 0 0 "[ . 1 . 2]" 1
2639 2 31 ILE H 2 32 SER H 3.108 . 4.315 3.850 1.984 4.385 0.070 4 0 "[ . 1 . 2]" 1
2640 2 31 ILE HA 2 31 ILE HB 2.744 . 3.685 3.003 2.448 3.044 . 0 0 "[ . 1 . 2]" 1
2641 2 31 ILE HA 2 31 ILE MD 3.317 . 4.693 3.935 3.874 4.215 . 0 0 "[ . 1 . 2]" 1
2642 2 31 ILE HA 2 31 ILE HG12 3.148 . 4.387 2.723 2.582 3.848 . 0 0 "[ . 1 . 2]" 1
2643 2 31 ILE HA 2 31 ILE HG13 3.556 . 5.137 3.004 2.857 3.732 . 0 0 "[ . 1 . 2]" 1
2644 2 31 ILE HA 2 31 ILE MG 2.704 . 3.618 2.443 2.347 2.539 . 0 0 "[ . 1 . 2]" 1
2645 2 31 ILE HA 2 32 SER H 2.743 . 3.684 2.422 2.109 3.588 . 0 0 "[ . 1 . 2]" 1
2646 2 31 ILE HB 2 31 ILE MD 2.763 . 3.718 2.417 2.366 2.459 . 0 0 "[ . 1 . 2]" 1
2647 2 31 ILE HB 2 31 ILE HG13 2.969 . 4.071 2.534 2.468 2.563 . 0 0 "[ . 1 . 2]" 1
2648 2 31 ILE HB 2 31 ILE MG 2.333 . 3.013 2.129 2.113 2.142 . 0 0 "[ . 1 . 2]" 1
2649 2 31 ILE HB 2 32 SER H 3.700 . 5.411 4.012 2.253 4.486 . 0 0 "[ . 1 . 2]" 1
2650 2 31 ILE MD 2 31 ILE HG12 2.471 . 3.234 2.121 2.118 2.126 . 0 0 "[ . 1 . 2]" 1
2651 2 31 ILE MD 2 31 ILE HG13 2.464 . 3.223 2.125 2.121 2.129 . 0 0 "[ . 1 . 2]" 1
2652 2 31 ILE HG12 2 31 ILE MG 3.087 . 4.279 2.362 2.293 2.424 . 0 0 "[ . 1 . 2]" 1
2653 2 31 ILE HG13 2 31 ILE MG 3.020 . 4.160 3.214 3.185 3.239 . 0 0 "[ . 1 . 2]" 1
2654 2 32 SER H 2 32 SER HB2 3.500 . 5.031 3.037 2.497 3.793 . 0 0 "[ . 1 . 2]" 1
2655 2 32 SER HA 2 32 SER HB2 2.352 . 3.043 2.703 2.398 3.032 . 0 0 "[ . 1 . 2]" 1
2656 2 32 SER HA 2 32 SER HB3 2.394 . 3.110 2.734 2.437 3.031 . 0 0 "[ . 1 . 2]" 1
2657 2 32 SER HA 2 33 SER H 2.758 . 3.709 2.515 2.114 3.589 . 0 0 "[ . 1 . 2]" 1
2658 2 33 SER H 2 33 SER HB2 3.203 . 4.485 3.192 2.558 3.754 . 0 0 "[ . 1 . 2]" 1
2659 2 33 SER H 2 33 SER HB3 3.203 . 4.485 2.984 2.510 4.087 . 0 0 "[ . 1 . 2]" 1
2660 2 33 SER HA 2 33 SER HB2 2.654 . 3.535 2.594 2.402 3.033 . 0 0 "[ . 1 . 2]" 1
2661 2 33 SER HA 2 33 SER HB3 2.654 . 3.535 2.806 2.417 3.035 . 0 0 "[ . 1 . 2]" 1
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