NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403626 |
1wlx   |
6013 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wlx
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 1915
_Distance_constraint_stats_list.Viol_count 7383
_Distance_constraint_stats_list.Viol_total 53892.969
_Distance_constraint_stats_list.Viol_max 3.030
_Distance_constraint_stats_list.Viol_rms 0.2557
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0704
_Distance_constraint_stats_list.Viol_average_violations_only 0.3650
_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 3 THR 0.030 0.013 2 0 "[ . 1 . 2]"
1 4 GLU 4.669 0.283 18 0 "[ . 1 . 2]"
1 5 LYS 11.377 0.398 10 0 "[ . 1 . 2]"
1 6 GLN 10.556 0.564 14 2 "[ . 1 +.- 2]"
1 7 LEU 16.837 0.398 10 0 "[ . 1 . 2]"
1 8 GLU 38.431 1.191 18 15 "[** **** **-*****+ 2]"
1 9 ALA 65.320 2.303 9 20 [-*******+***********]
1 10 ILE 233.925 2.966 15 20 [**************+***-*]
1 11 ASP 47.891 1.839 20 20 [******-************+]
1 12 GLN 61.653 2.563 7 20 [******+****-********]
1 13 LEU 37.083 1.944 13 19 [****.*******+**-****]
1 14 HIS 56.886 1.656 8 20 [-******+************]
1 15 LEU 28.605 0.512 5 4 "[ - + * 1 *. 2]"
1 16 GLU 44.633 2.563 7 20 [******+******-******]
1 17 TYR 167.106 1.795 3 20 [**+**************-**]
1 18 ALA 37.819 1.734 12 20 [***********+*******-]
1 19 LYS 21.951 1.104 18 20 [*********-*******+**]
1 20 ARG 22.959 1.104 18 20 [*********-*******+**]
1 21 ALA 48.069 1.679 19 20 [*************-****+*]
1 22 ALA 44.178 1.464 1 20 [+*********-*********]
1 23 PRO 11.003 0.417 15 0 "[ . 1 . 2]"
1 24 PHE 92.817 1.945 15 20 [**************+****-]
1 25 ASN 21.970 0.418 11 0 "[ . 1 . 2]"
1 26 ASN 89.447 1.464 1 20 [+**************-****]
1 27 TRP 83.917 1.945 15 20 [**************+-****]
1 28 MET 18.457 0.991 9 20 [********+******-****]
1 29 GLU 52.582 1.510 13 20 [********-***+*******]
1 30 SER 51.598 1.126 9 20 [********+******-****]
1 31 ALA 31.076 1.510 13 20 [******-*****+*******]
1 32 MET 16.778 0.973 3 19 "[**+*****-********* *]"
1 33 GLU 13.655 0.714 10 7 "[* * . *- + . **2]"
1 34 ASP 20.389 0.855 18 18 "[*** *************+*2]"
1 35 LEU 51.484 2.075 7 20 [******+****-********]
1 36 GLN 43.028 0.855 18 19 [**************-**+*2]
1 37 ASP 8.964 0.250 20 0 "[ . 1 . 2]"
1 38 MET 35.780 1.524 9 20 [********+*****-*****]
1 39 PHE 24.620 0.800 2 9 "[ +*** * *1 * . - *]"
1 40 ILE 76.474 1.524 9 20 [********+*******-***]
1 41 VAL 43.111 1.512 6 20 [*****+*-************]
1 42 HIS 5.122 0.646 11 1 "[ . 1+ . 2]"
1 43 THR 12.973 0.690 1 5 "[+ *.- 1 **. 2]"
1 44 ILE 47.018 1.254 19 20 [***-**************+*]
1 45 GLU 45.756 1.620 8 19 "[*****-*+ ***********]"
1 46 GLU 8.952 0.246 19 0 "[ . 1 . 2]"
1 47 ILE 30.347 1.320 1 19 "[+******-******** ***]"
1 48 GLU 33.511 1.254 19 20 [*****-************+*]
1 49 GLY 45.579 1.620 8 20 [*******+***********-]
1 50 LEU 21.787 0.892 17 2 "[ . 1 . + -2]"
1 51 ILE 50.593 1.944 18 19 "[** **************+*-]"
1 52 SER 5.813 0.514 2 1 "[ + . 1 . 2]"
1 53 ALA 19.484 0.873 11 19 "[* -*******+*********]"
1 54 HIS 37.260 1.944 18 18 "[* **************+*-]"
1 55 ASP 47.849 2.752 7 20 [*****-+*************]
1 56 GLN 37.925 0.873 11 20 [**-*******+*********]
1 57 PHE 32.623 0.958 12 17 "[ ***** -***+ *******]"
1 58 LYS 21.004 0.374 19 0 "[ . 1 . 2]"
1 59 SER 105.960 2.752 7 20 [*****-+*************]
1 60 THR 14.693 0.840 7 6 "[* . +-** * . 2]"
1 61 LEU 20.720 0.509 11 1 "[ . 1+ . 2]"
1 62 PRO 17.761 1.025 9 20 [********+-**********]
1 63 ASP 50.102 2.344 9 20 [*******-+***********]
1 64 ALA 40.090 1.046 6 20 [*****+***-**********]
1 65 ASP 11.137 0.489 20 0 "[ . 1 . 2]"
1 66 ARG 3.439 0.392 1 0 "[ . 1 . 2]"
1 67 GLU 3.329 0.216 11 0 "[ . 1 . 2]"
1 68 ARG 49.007 1.466 2 20 [*+-*****************]
1 69 GLU 24.383 0.975 20 20 [************-******+]
1 70 ALA 40.393 1.466 2 20 [*+-*****************]
1 71 ILE 85.748 1.540 19 20 [*****************-+*]
1 72 LEU 42.133 1.795 3 20 [**+************-****]
1 73 ALA 21.155 0.852 18 20 [*****************+*-]
1 74 ILE 40.521 1.401 20 20 [*****************-*+]
1 75 HIS 156.336 1.987 13 20 [************+*****-*]
1 76 LYS 22.033 0.465 7 0 "[ . 1 . 2]"
1 77 GLU 13.228 0.645 10 4 "[ - . + * . *]"
1 78 ALA 93.705 1.944 13 20 [*-**********+*******]
1 79 GLN 66.869 1.415 8 20 [**-****+************]
1 80 ARG 41.322 1.558 18 18 "[** ******- ******+**]"
1 81 ILE 51.097 1.526 13 20 [***-********+*******]
1 82 ALA 177.380 2.966 15 20 [************-*+*****]
1 83 GLU 23.524 1.012 12 15 "[** *. *****+**.*-* *]"
1 84 SER 41.713 1.558 18 20 [**************-**+**]
1 85 ASN 19.871 0.872 14 1 "[ . 1 +. 2]"
1 86 HIS 6.892 0.349 1 0 "[ . 1 . 2]"
1 87 ILE 25.462 0.598 14 17 "[****.****** +*****-]"
1 88 LYS 7.764 0.824 2 3 "[ + - 1 . *2]"
1 89 LEU 15.044 0.824 2 3 "[ + - 1 . *2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 29.144 1.656 8 15 "[-* ***+** ***** * *]"
1 94 PRO 63.509 2.384 12 20 [******-****+********]
1 95 TYR 59.957 1.839 20 20 [*-*****************+]
1 96 THR 87.238 2.384 12 20 [*********-*+********]
1 97 THR 8.662 0.731 2 4 "[-+ . 1 * * 2]"
1 98 VAL 65.957 1.540 19 20 [***************-**+*]
1 99 THR 104.574 2.057 11 20 [**********+*******-*]
1 100 PRO 41.033 1.987 13 20 [********-***+*******]
1 101 GLN 38.613 1.962 9 20 [********+*********-*]
1 102 ILE 8.526 0.406 9 0 "[ . 1 . 2]"
1 103 ILE 99.798 2.057 11 20 [**********+*********]
1 104 ASN 72.911 1.804 10 20 [*********+-*********]
1 105 SER 1.676 0.217 9 0 "[ . 1 . 2]"
1 106 LYS 6.455 0.290 18 0 "[ . 1 . 2]"
1 107 TRP 146.210 1.804 10 20 [*********+****-*****]
1 108 GLU 17.200 0.721 10 6 "[ * *- + * . * 2]"
1 109 LYS 8.746 0.747 5 6 "[ + * 1 -* **2]"
1 110 VAL 47.525 2.075 7 20 [******+******-******]
1 111 GLN 12.301 0.335 5 0 "[ . 1 . 2]"
1 112 GLN 12.749 0.335 5 0 "[ . 1 . 2]"
1 113 LEU 6.877 0.950 15 2 "[ . 1 -+ 2]"
1 114 VAL 3.105 0.205 14 0 "[ . 1 . 2]"
1 115 PRO 0.009 0.009 20 0 "[ . 1 . 2]"
1 116 LYS 18.735 1.444 7 20 [******+******-******]
1 117 ARG 6.925 0.207 18 0 "[ . 1 . 2]"
1 118 ASP 20.670 0.996 14 19 "[****** ***-**+******]"
1 119 HIS 8.395 0.247 1 0 "[ . 1 . 2]"
1 120 ALA 36.525 1.444 7 20 [******+******-******]
1 121 LEU 23.797 1.004 2 13 "[ + *** *1***-** **]"
1 122 LEU 27.553 1.205 16 20 [*****-*********+****]
1 123 GLU 33.802 1.519 13 20 [*****-******+*******]
1 124 GLU 47.855 1.240 9 20 [*****-**+***********]
1 125 GLN 39.050 1.240 9 20 [*****-**+***********]
1 126 SER 80.096 3.030 6 20 [*****+*************-]
1 127 LYS 2.323 0.285 17 0 "[ . 1 . 2]"
1 128 GLN 12.587 0.461 20 0 "[ . 1 . 2]"
1 129 GLN 79.231 3.030 6 20 [*-***+**************]
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 3 THR HA 1 3 THR MG 2.100 . 2.600 2.069 1.904 2.303 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR HA 1 4 GLU H 2.900 . 3.900 3.462 2.962 3.581 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR HA 1 5 LYS H 3.300 . 4.700 3.884 3.523 4.297 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 6 GLN H 2.900 . 4.000 3.366 2.986 3.754 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 7 LEU H 3.200 . 4.500 4.275 3.486 4.513 0.013 2 0 "[ . 1 . 2]" 1
6 1 3 THR MG 1 4 GLU H 3.500 . 5.000 4.146 3.584 4.398 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU HA 2.700 . 3.600 2.834 2.769 2.912 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 4 GLU QB 2.600 . 3.400 2.720 2.260 3.007 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU HG2 3.200 . 4.500 3.263 2.028 4.044 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 4 GLU HG3 3.100 . 4.300 2.479 1.793 3.951 0.107 8 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 5 LYS H 3.600 . 5.300 2.593 2.282 2.800 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU H 1 5 LYS H 3.200 . 4.400 2.564 2.254 2.760 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU H 1 6 GLN H 3.600 . 5.200 4.048 3.504 4.261 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLU HA 1 5 LYS H 3.000 . 4.100 3.406 3.287 3.504 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU HA 1 6 GLN H 3.100 . 4.300 4.292 4.120 4.413 0.113 11 0 "[ . 1 . 2]" 1
16 1 4 GLU HA 1 7 LEU H 2.500 . 3.300 2.755 2.702 2.846 . 0 0 "[ . 1 . 2]" 1
17 1 4 GLU HA 1 8 GLU H 2.800 . 3.800 3.920 3.663 4.038 0.238 15 0 "[ . 1 . 2]" 1
18 1 4 GLU QB 1 5 LYS H 2.800 . 3.800 3.294 2.829 3.814 0.014 15 0 "[ . 1 . 2]" 1
19 1 4 GLU HG2 1 5 LYS H 3.500 . 5.100 4.498 2.455 5.383 0.283 18 0 "[ . 1 . 2]" 1
20 1 4 GLU HG3 1 5 LYS H 3.500 . 5.100 4.134 2.498 4.944 . 0 0 "[ . 1 . 2]" 1
21 1 5 LYS H 1 5 LYS HA 2.700 . 3.600 2.911 2.865 2.942 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS H 1 5 LYS QB 2.500 . 3.300 2.549 2.183 2.908 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS H 1 5 LYS QD 3.400 . 4.900 4.002 3.162 4.854 . 0 0 "[ . 1 . 2]" 1
24 1 5 LYS H 1 5 LYS QG 3.100 . 4.300 2.514 1.822 3.839 0.078 9 0 "[ . 1 . 2]" 1
25 1 5 LYS H 1 7 LEU H 2.600 . 3.500 2.408 2.219 2.623 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS H 1 7 LEU H 2.500 . 3.300 3.580 3.442 3.698 0.398 10 0 "[ . 1 . 2]" 1
27 1 5 LYS HA 1 6 GLN H 2.600 . 3.500 3.463 3.417 3.508 0.008 9 0 "[ . 1 . 2]" 1
28 1 5 LYS HA 1 7 LEU H 3.000 . 4.100 4.028 3.706 4.194 0.094 7 0 "[ . 1 . 2]" 1
29 1 5 LYS HA 1 8 GLU H 2.500 . 3.300 3.174 2.950 3.438 0.138 8 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 9 ALA H 2.600 . 3.500 3.680 3.607 3.749 0.249 6 0 "[ . 1 . 2]" 1
31 1 5 LYS QB 1 6 GLN H 2.800 . 3.800 3.002 2.625 3.595 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS QG 1 6 GLN H 3.000 . 4.100 3.360 2.049 4.136 0.036 2 0 "[ . 1 . 2]" 1
33 1 6 GLN H 1 6 GLN HA 2.500 . 3.300 2.852 2.794 2.908 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLN H 1 6 GLN HB2 2.700 . 3.600 2.728 2.202 3.657 0.057 8 0 "[ . 1 . 2]" 1
35 1 6 GLN H 1 6 GLN HB3 2.700 . 3.600 3.421 2.337 3.626 0.026 19 0 "[ . 1 . 2]" 1
36 1 6 GLN H 1 6 GLN HG2 2.700 . 3.600 2.942 1.639 3.748 0.161 9 0 "[ . 1 . 2]" 1
37 1 6 GLN H 1 6 GLN HG3 2.400 . 3.100 2.650 1.840 3.664 0.564 14 2 "[ . 1 +.- 2]" 1
38 1 6 GLN H 1 7 LEU H 2.100 . 2.600 2.449 2.240 2.701 0.101 15 0 "[ . 1 . 2]" 1
39 1 6 GLN H 1 8 GLU H 3.200 . 4.500 3.928 3.753 4.082 . 0 0 "[ . 1 . 2]" 1
40 1 6 GLN HA 1 7 LEU H 3.000 . 4.100 3.475 3.327 3.545 . 0 0 "[ . 1 . 2]" 1
41 1 6 GLN HA 1 8 GLU H 3.100 . 4.300 4.479 4.293 4.586 0.286 4 0 "[ . 1 . 2]" 1
42 1 6 GLN HA 1 9 ALA H 2.800 . 3.800 3.749 3.526 3.845 0.045 3 0 "[ . 1 . 2]" 1
43 1 6 GLN HA 1 9 ALA MB 2.300 . 3.000 2.998 2.720 3.147 0.147 8 0 "[ . 1 . 2]" 1
44 1 6 GLN HB2 1 7 LEU H 2.900 . 3.900 3.052 2.420 4.171 0.271 16 0 "[ . 1 . 2]" 1
45 1 6 GLN HE21 1 6 GLN HG2 3.200 . 4.500 2.862 2.117 3.556 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLN HE21 1 6 GLN HG3 3.100 . 4.300 2.855 2.128 3.558 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLN HE22 1 6 GLN HG2 3.100 . 4.300 3.771 3.436 4.093 . 0 0 "[ . 1 . 2]" 1
48 1 6 GLN HG2 1 7 LEU H 3.400 . 4.800 4.481 2.799 5.018 0.218 7 0 "[ . 1 . 2]" 1
49 1 6 GLN HG3 1 7 LEU H 3.400 . 4.900 4.095 2.684 5.008 0.108 14 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 7 LEU HB2 2.600 . 3.400 3.328 2.626 3.719 0.319 11 0 "[ . 1 . 2]" 1
51 1 7 LEU H 1 7 LEU HB3 2.500 . 3.300 2.961 2.314 3.687 0.387 1 0 "[ . 1 . 2]" 1
52 1 7 LEU H 1 7 LEU QD 2.500 . 3.300 3.016 2.806 3.289 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU H 1 7 LEU HG 2.700 . 3.600 2.390 1.863 3.188 . 0 0 "[ . 1 . 2]" 1
54 1 7 LEU H 1 8 GLU H 2.700 . 3.600 2.369 2.074 2.556 . 0 0 "[ . 1 . 2]" 1
55 1 7 LEU H 1 9 ALA H 3.100 . 4.300 3.895 3.641 4.050 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HA 1 8 GLU H 2.800 . 3.800 3.502 3.456 3.535 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HA 1 9 ALA H 3.500 . 5.100 4.314 4.042 4.605 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU HA 1 10 ILE H 3.100 . 4.300 3.618 3.259 4.242 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU HA 1 11 ASP H 3.200 . 4.500 4.344 4.011 4.625 0.125 14 0 "[ . 1 . 2]" 1
60 1 7 LEU HB2 1 8 GLU H 2.900 . 4.000 3.521 2.358 4.168 0.168 8 0 "[ . 1 . 2]" 1
61 1 7 LEU HB3 1 8 GLU H 3.100 . 4.300 3.846 3.482 4.245 . 0 0 "[ . 1 . 2]" 1
62 1 7 LEU QD 1 8 GLU H 2.900 . 4.000 3.305 2.355 3.879 . 0 0 "[ . 1 . 2]" 1
63 1 7 LEU HG 1 8 GLU H 2.800 . 3.700 2.862 2.133 3.904 0.204 1 0 "[ . 1 . 2]" 1
64 1 8 GLU H 1 8 GLU HA 2.400 . 3.100 2.851 2.806 2.882 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLU H 1 8 GLU HB2 2.900 . 3.900 2.272 2.070 3.329 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLU H 1 8 GLU HB3 2.400 . 3.100 3.088 2.080 3.627 0.527 14 1 "[ . 1 +. 2]" 1
67 1 8 GLU H 1 8 GLU QG 2.900 . 3.900 3.582 2.309 4.015 0.115 5 0 "[ . 1 . 2]" 1
68 1 8 GLU H 1 9 ALA H 2.600 . 3.400 2.530 2.444 2.710 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLU H 1 10 ILE H 2.900 . 3.900 4.068 3.999 4.124 0.224 19 0 "[ . 1 . 2]" 1
70 1 8 GLU HA 1 9 ALA H 2.400 . 3.100 3.509 3.455 3.539 0.439 19 0 "[ . 1 . 2]" 1
71 1 8 GLU HA 1 10 ILE H 3.200 . 4.500 4.307 4.125 4.532 0.032 18 0 "[ . 1 . 2]" 1
72 1 8 GLU HA 1 11 ASP H 2.900 . 3.900 3.255 2.913 3.633 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLU HA 1 11 ASP QB 2.600 . 3.400 2.292 1.732 2.974 0.068 12 0 "[ . 1 . 2]" 1
74 1 8 GLU HA 1 12 GLN H 2.800 . 3.800 4.452 4.015 4.991 1.191 18 15 "[** **** **-*****+ 2]" 1
75 1 8 GLU HB2 1 9 ALA H 3.000 . 4.200 3.457 2.946 4.203 0.003 6 0 "[ . 1 . 2]" 1
76 1 8 GLU HB3 1 9 ALA H 2.600 . 3.400 3.100 2.634 3.926 0.526 14 1 "[ . 1 +. 2]" 1
77 1 8 GLU QG 1 9 ALA H 3.200 . 4.400 4.276 2.519 4.562 0.162 9 0 "[ . 1 . 2]" 1
78 1 9 ALA H 1 9 ALA HA 2.300 . 2.900 2.849 2.830 2.868 . 0 0 "[ . 1 . 2]" 1
79 1 9 ALA H 1 9 ALA MB 2.100 . 2.700 2.166 2.053 2.258 . 0 0 "[ . 1 . 2]" 1
80 1 9 ALA H 1 10 ILE H 3.000 . 4.100 2.499 2.460 2.535 . 0 0 "[ . 1 . 2]" 1
81 1 9 ALA H 1 10 ILE H 2.400 . 3.100 2.459 2.423 2.490 . 0 0 "[ . 1 . 2]" 1
82 1 9 ALA H 1 10 ILE HB 2.900 . 3.900 6.145 6.111 6.203 2.303 9 20 [********+-**********] 1
83 1 9 ALA H 1 10 ILE QG 3.400 . 4.800 3.993 3.840 4.285 . 0 0 "[ . 1 . 2]" 1
84 1 9 ALA H 1 10 ILE MG 3.100 . 4.300 4.088 3.784 4.290 . 0 0 "[ . 1 . 2]" 1
85 1 9 ALA H 1 11 ASP H 3.600 . 5.200 3.672 3.509 3.841 . 0 0 "[ . 1 . 2]" 1
86 1 9 ALA HA 1 10 ILE H 3.300 . 4.700 3.504 3.449 3.535 . 0 0 "[ . 1 . 2]" 1
87 1 9 ALA HA 1 11 ASP H 2.900 . 3.900 3.986 3.844 4.063 0.163 8 0 "[ . 1 . 2]" 1
88 1 9 ALA HA 1 12 GLN H 2.800 . 3.800 3.633 3.304 3.978 0.178 1 0 "[ . 1 . 2]" 1
89 1 9 ALA MB 1 10 ILE H 2.700 . 3.600 2.676 2.517 2.913 . 0 0 "[ . 1 . 2]" 1
90 1 9 ALA MB 1 12 GLN H 3.200 . 4.500 4.649 4.398 5.013 0.513 1 1 "[+ . 1 . 2]" 1
91 1 10 ILE H 1 10 ILE HA 2.800 . 3.800 2.895 2.868 2.931 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE H 1 10 ILE HB 2.500 . 3.300 3.665 3.641 3.709 0.409 1 0 "[ . 1 . 2]" 1
93 1 10 ILE H 1 10 ILE MD 2.900 . 4.000 3.870 3.740 4.042 0.042 19 0 "[ . 1 . 2]" 1
94 1 10 ILE H 1 10 ILE QG 3.000 . 4.100 2.229 2.057 2.450 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE H 1 10 ILE MG 2.700 . 3.600 2.378 2.153 2.691 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE H 1 12 GLN H 2.800 . 3.800 2.378 2.257 2.455 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE H 1 12 GLN H 3.400 . 4.800 3.991 3.800 4.111 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE HA 1 10 ILE MD 2.400 . 3.100 3.836 3.743 3.955 0.855 1 20 [+*****-*************] 1
99 1 10 ILE HA 1 10 ILE MG 2.500 . 3.300 2.361 2.243 2.506 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE HA 1 11 ASP H 3.200 . 4.500 3.374 3.300 3.432 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE HA 1 12 GLN H 3.300 . 4.700 3.780 3.449 3.974 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE HA 1 13 LEU H 3.300 . 4.700 2.936 2.655 3.427 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE HA 1 14 HIS H 2.800 . 3.800 3.331 3.228 3.418 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE HA 1 78 ALA MB 2.600 . 3.500 3.697 3.362 3.924 0.424 4 0 "[ . 1 . 2]" 1
105 1 10 ILE HB 1 10 ILE MD 2.200 . 2.800 2.178 2.121 2.202 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE HB 1 10 ILE MG 2.100 . 2.600 2.104 2.075 2.122 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE HB 1 11 ASP H 2.800 . 3.800 4.199 4.075 4.330 0.530 5 2 "[ + 1 . -2]" 1
108 1 10 ILE MD 1 11 ASP H 2.900 . 4.000 3.747 3.383 4.165 0.165 5 0 "[ . 1 . 2]" 1
109 1 10 ILE MD 1 11 ASP HA 3.000 . 4.100 3.559 3.110 3.942 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE MD 1 13 LEU H 3.500 . 5.100 5.147 4.920 5.274 0.174 10 0 "[ . 1 . 2]" 1
111 1 10 ILE MD 1 14 HIS H 3.200 . 4.500 4.523 4.201 4.726 0.226 15 0 "[ . 1 . 2]" 1
112 1 10 ILE MD 1 14 HIS HD2 3.100 . 4.300 3.943 3.627 4.288 . 0 0 "[ . 1 . 2]" 1
113 1 10 ILE MD 1 14 HIS HE1 2.300 . 2.900 2.592 2.299 3.084 0.184 10 0 "[ . 1 . 2]" 1
114 1 10 ILE MD 1 78 ALA HA 3.000 . 4.100 2.481 2.223 2.920 . 0 0 "[ . 1 . 2]" 1
115 1 10 ILE MD 1 78 ALA MB 2.300 . 3.000 2.538 2.264 2.898 . 0 0 "[ . 1 . 2]" 1
116 1 10 ILE MD 1 81 ILE HG12 2.100 . 2.700 2.336 2.163 2.493 . 0 0 "[ . 1 . 2]" 1
117 1 10 ILE MD 1 81 ILE HG13 2.400 . 3.100 3.049 2.726 3.279 0.179 2 0 "[ . 1 . 2]" 1
118 1 10 ILE MD 1 81 ILE MG 2.600 . 3.500 3.693 3.628 3.767 0.267 19 0 "[ . 1 . 2]" 1
119 1 10 ILE MD 1 82 ALA H 3.500 . 5.000 4.494 4.278 4.736 . 0 0 "[ . 1 . 2]" 1
120 1 10 ILE MD 1 82 ALA HA 2.400 . 3.100 5.696 5.338 6.066 2.966 15 20 [-*************+*****] 1
121 1 10 ILE QG 1 11 ASP H 3.300 . 4.600 2.464 2.291 2.667 . 0 0 "[ . 1 . 2]" 1
122 1 10 ILE QG 1 82 ALA H 3.100 . 4.300 5.723 5.453 5.814 1.514 19 20 [***-**************+*] 1
123 1 10 ILE MG 1 11 ASP H 3.200 . 4.500 4.050 3.882 4.139 . 0 0 "[ . 1 . 2]" 1
124 1 10 ILE MG 1 78 ALA HA 2.500 . 3.300 2.735 2.233 3.089 . 0 0 "[ . 1 . 2]" 1
125 1 10 ILE MG 1 81 ILE HA 2.900 . 4.000 5.032 4.714 5.526 1.526 13 20 [***-********+*******] 1
126 1 10 ILE MG 1 82 ALA H 2.500 . 3.300 5.398 5.027 5.852 2.552 12 20 [-**********+********] 1
127 1 11 ASP H 1 11 ASP HA 2.800 . 3.800 2.872 2.852 2.903 . 0 0 "[ . 1 . 2]" 1
128 1 11 ASP H 1 11 ASP QB 2.300 . 2.900 2.206 2.121 2.330 . 0 0 "[ . 1 . 2]" 1
129 1 11 ASP H 1 12 GLN H 2.600 . 3.500 2.396 2.269 2.476 . 0 0 "[ . 1 . 2]" 1
130 1 11 ASP HA 1 12 GLN H 3.100 . 4.300 3.468 3.417 3.532 . 0 0 "[ . 1 . 2]" 1
131 1 11 ASP HA 1 13 LEU H 3.600 . 5.300 3.960 3.656 4.306 . 0 0 "[ . 1 . 2]" 1
132 1 11 ASP HA 1 14 HIS H 2.600 . 3.400 2.836 2.728 3.033 . 0 0 "[ . 1 . 2]" 1
133 1 11 ASP HA 1 14 HIS HB2 3.600 . 5.200 1.982 1.857 2.264 0.143 4 0 "[ . 1 . 2]" 1
134 1 11 ASP HA 1 14 HIS HB3 2.900 . 4.000 3.519 3.373 3.808 . 0 0 "[ . 1 . 2]" 1
135 1 11 ASP HA 1 15 LEU H 3.100 . 4.300 4.361 3.915 4.808 0.508 7 1 "[ . + 1 . 2]" 1
136 1 11 ASP HA 1 95 TYR QD 2.800 . 3.800 5.208 4.723 5.639 1.839 20 20 [**-****************+] 1
137 1 11 ASP HA 1 95 TYR QE 2.700 . 3.600 3.821 3.361 3.954 0.354 10 0 "[ . 1 . 2]" 1
138 1 11 ASP QB 1 12 GLN H 2.500 . 3.300 2.885 2.750 3.068 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLN H 1 12 GLN HA 2.600 . 3.400 2.848 2.794 2.922 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLN H 1 12 GLN HB2 2.500 . 3.300 2.418 2.163 2.639 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLN H 1 12 GLN HB3 2.500 . 3.300 3.577 3.464 3.656 0.356 17 0 "[ . 1 . 2]" 1
142 1 12 GLN H 1 12 GLN HG2 2.700 . 3.600 2.518 2.062 3.815 0.215 5 0 "[ . 1 . 2]" 1
143 1 12 GLN H 1 12 GLN HG3 2.800 . 3.800 3.818 3.589 4.043 0.243 5 0 "[ . 1 . 2]" 1
144 1 12 GLN H 1 13 LEU H 2.800 . 3.800 2.471 1.952 2.605 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLN H 1 13 LEU QD 3.400 . 4.800 4.263 3.684 4.686 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLN H 1 14 HIS H 3.500 . 5.100 3.691 3.348 4.087 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLN H 1 15 LEU QD 3.300 . 4.700 4.275 3.875 5.041 0.341 3 0 "[ . 1 . 2]" 1
148 1 12 GLN HA 1 13 LEU H 3.200 . 4.500 3.472 3.345 3.550 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLN HA 1 14 HIS H 3.300 . 4.700 4.063 3.642 4.559 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLN HA 1 15 LEU H 2.900 . 4.000 3.453 2.866 4.153 0.153 14 0 "[ . 1 . 2]" 1
151 1 12 GLN HA 1 15 LEU QD 2.800 . 3.800 2.384 1.949 3.237 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLN HA 1 16 GLU H 2.600 . 3.400 5.077 4.290 5.963 2.563 7 20 [**-***+*************] 1
153 1 12 GLN HB2 1 12 GLN QE 3.300 . 4.600 3.878 3.703 4.100 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLN HB2 1 13 LEU H 3.000 . 4.100 2.922 2.668 3.348 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLN HB3 1 12 GLN QE 3.300 . 4.700 3.847 3.528 4.028 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLN HB3 1 13 LEU H 3.000 . 4.200 3.828 3.340 4.087 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLN QE 1 12 GLN HG2 3.100 . 4.300 2.215 2.102 3.290 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLN QE 1 12 GLN HG3 3.000 . 4.100 3.176 2.238 3.309 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN QE 1 15 LEU QD 3.200 . 4.100 2.899 1.856 3.581 0.144 5 0 "[ . 1 . 2]" 1
160 1 12 GLN QE 1 95 TYR QE 3.200 . 4.500 4.190 3.666 4.407 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLN HG3 1 13 LEU H 3.500 . 5.100 5.205 4.910 5.599 0.499 14 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 13 LEU HA 2.900 . 4.000 2.884 2.808 2.941 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU QB 2.800 . 3.800 2.662 1.961 3.087 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 13 LEU QD 3.000 . 4.100 2.916 2.418 3.446 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU H 1 13 LEU HG 3.000 . 4.200 2.364 1.807 4.432 0.232 5 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 14 HIS H 2.800 . 3.800 2.334 1.953 2.632 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HA 1 14 HIS H 3.000 . 4.200 3.438 3.280 3.547 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU HA 1 16 GLU H 3.300 . 4.600 3.058 2.686 3.532 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU QB 1 14 HIS H 3.300 . 4.600 3.122 2.357 3.830 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU QD 1 14 HIS H 3.300 . 4.600 3.695 3.252 4.054 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU QD 1 77 GLU H 3.000 . 4.100 3.790 3.222 4.144 0.044 2 0 "[ . 1 . 2]" 1
172 1 13 LEU QD 1 77 GLU H 3.600 . 5.200 3.761 3.216 4.099 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU QD 1 78 ALA H 2.600 . 3.500 3.040 2.660 3.273 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU QD 1 78 ALA H 3.200 . 4.500 3.026 2.658 3.238 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU QD 1 79 GLN H 3.200 . 4.500 4.356 4.159 4.478 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HG 1 14 HIS H 3.200 . 4.400 3.581 2.670 4.694 0.294 5 0 "[ . 1 . 2]" 1
177 1 13 LEU HG 1 78 ALA H 3.000 . 4.100 5.690 4.066 6.044 1.944 13 19 [****.*******+**-****] 1
178 1 14 HIS H 1 14 HIS HA 2.600 . 3.500 2.799 2.745 2.822 . 0 0 "[ . 1 . 2]" 1
179 1 14 HIS H 1 14 HIS HB2 2.800 . 3.800 2.264 2.104 2.492 . 0 0 "[ . 1 . 2]" 1
180 1 14 HIS H 1 14 HIS HD2 3.200 . 4.500 3.938 3.456 4.358 . 0 0 "[ . 1 . 2]" 1
181 1 14 HIS H 1 15 LEU H 2.900 . 4.000 2.642 2.509 2.871 . 0 0 "[ . 1 . 2]" 1
182 1 14 HIS H 1 16 GLU H 3.500 . 5.000 4.199 3.863 4.479 . 0 0 "[ . 1 . 2]" 1
183 1 14 HIS H 1 95 TYR QD 3.600 . 5.200 5.061 4.870 5.253 0.053 2 0 "[ . 1 . 2]" 1
184 1 14 HIS H 1 95 TYR QE 3.500 . 5.000 4.305 3.689 4.900 . 0 0 "[ . 1 . 2]" 1
185 1 14 HIS HA 1 14 HIS HD2 2.400 . 3.100 2.177 2.033 2.398 . 0 0 "[ . 1 . 2]" 1
186 1 14 HIS HA 1 14 HIS HE1 3.200 . 4.500 5.709 5.590 5.881 1.381 3 20 [**+**********-******] 1
187 1 14 HIS HA 1 15 LEU H 3.200 . 4.500 3.500 3.438 3.547 . 0 0 "[ . 1 . 2]" 1
188 1 14 HIS HA 1 16 GLU H 3.300 . 4.700 4.271 3.989 4.576 . 0 0 "[ . 1 . 2]" 1
189 1 14 HIS HA 1 17 TYR H 3.200 . 4.500 3.365 3.243 3.613 . 0 0 "[ . 1 . 2]" 1
190 1 14 HIS HA 1 17 TYR HB2 3.300 . 4.700 3.160 2.575 3.947 . 0 0 "[ . 1 . 2]" 1
191 1 14 HIS HA 1 17 TYR HB3 2.900 . 4.000 3.087 2.328 3.740 . 0 0 "[ . 1 . 2]" 1
192 1 14 HIS HA 1 18 ALA H 3.700 . 5.400 4.225 3.685 4.655 . 0 0 "[ . 1 . 2]" 1
193 1 14 HIS HB2 1 14 HIS HD2 3.300 . 4.600 3.852 3.807 3.896 . 0 0 "[ . 1 . 2]" 1
194 1 14 HIS HB2 1 15 LEU H 2.600 . 3.400 2.532 2.415 2.637 . 0 0 "[ . 1 . 2]" 1
195 1 14 HIS HB2 1 95 TYR QD 2.600 . 3.500 3.511 2.872 3.866 0.366 20 0 "[ . 1 . 2]" 1
196 1 14 HIS HB2 1 95 TYR QE 2.700 . 3.600 2.748 2.366 3.027 . 0 0 "[ . 1 . 2]" 1
197 1 14 HIS HB3 1 14 HIS HD2 2.900 . 3.900 3.514 3.437 3.595 . 0 0 "[ . 1 . 2]" 1
198 1 14 HIS HB3 1 15 LEU H 3.000 . 4.200 3.439 3.146 3.731 . 0 0 "[ . 1 . 2]" 1
199 1 14 HIS HB3 1 95 TYR QD 2.700 . 3.600 2.585 2.352 2.951 . 0 0 "[ . 1 . 2]" 1
200 1 14 HIS HB3 1 95 TYR QE 2.900 . 3.900 3.093 2.234 3.618 . 0 0 "[ . 1 . 2]" 1
201 1 14 HIS HD2 1 17 TYR HB2 3.600 . 5.200 4.028 3.494 4.500 . 0 0 "[ . 1 . 2]" 1
202 1 14 HIS HD2 1 17 TYR HB3 2.900 . 3.900 4.097 3.712 4.377 0.477 7 0 "[ . 1 . 2]" 1
203 1 14 HIS HD2 1 75 HIS HA 3.200 . 4.500 4.374 4.056 4.590 0.090 20 0 "[ . 1 . 2]" 1
204 1 14 HIS HD2 1 78 ALA MB 2.800 . 3.800 2.450 2.005 3.120 . 0 0 "[ . 1 . 2]" 1
205 1 14 HIS HE1 1 78 ALA MB 3.000 . 4.100 4.200 3.922 4.350 0.250 9 0 "[ . 1 . 2]" 1
206 1 14 HIS HE1 1 89 LEU QD 2.400 . 3.100 2.303 1.671 3.136 0.036 3 0 "[ . 1 . 2]" 1
207 1 14 HIS HE1 1 93 ASN HA 3.200 . 4.400 5.211 3.897 6.056 1.656 8 13 "[- ***+** ***** *]" 1
208 1 14 HIS HE1 1 94 PRO QD 2.900 . 4.000 3.865 3.016 4.776 0.776 6 2 "[ - .+ 1 . 2]" 1
209 1 15 LEU H 1 15 LEU HB2 2.700 . 3.600 2.409 1.990 3.643 0.043 15 0 "[ . 1 . 2]" 1
210 1 15 LEU H 1 15 LEU HB3 2.600 . 3.500 3.335 3.017 3.490 . 0 0 "[ . 1 . 2]" 1
211 1 15 LEU H 1 15 LEU QD 2.800 . 3.800 2.302 1.723 3.195 0.077 14 0 "[ . 1 . 2]" 1
212 1 15 LEU H 1 15 LEU HG 3.000 . 4.100 3.990 3.484 4.305 0.205 5 0 "[ . 1 . 2]" 1
213 1 15 LEU H 1 16 GLU H 2.700 . 3.600 2.665 2.331 2.819 . 0 0 "[ . 1 . 2]" 1
214 1 15 LEU H 1 17 TYR H 3.500 . 5.100 4.048 3.764 4.268 . 0 0 "[ . 1 . 2]" 1
215 1 15 LEU H 1 95 TYR QD 3.400 . 4.800 3.460 3.064 3.884 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU H 1 95 TYR QE 3.000 . 4.200 3.119 2.658 3.572 . 0 0 "[ . 1 . 2]" 1
217 1 15 LEU HA 1 15 LEU QD 2.400 . 3.100 1.998 1.668 3.069 0.032 1 0 "[ . 1 . 2]" 1
218 1 15 LEU HA 1 16 GLU H 2.900 . 3.900 3.507 3.367 3.555 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU HA 1 17 TYR H 2.900 . 4.000 4.207 4.115 4.268 0.268 1 0 "[ . 1 . 2]" 1
220 1 15 LEU HA 1 18 ALA H 2.800 . 3.700 3.272 2.726 3.631 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU HA 1 19 LYS H 3.200 . 4.500 4.194 3.938 4.481 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU HA 1 95 TYR QB 3.400 . 4.700 3.499 2.576 3.931 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU HA 1 95 TYR QD 2.600 . 3.500 2.459 2.022 2.982 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU HA 1 95 TYR QE 2.700 . 3.600 3.689 3.620 3.800 0.200 20 0 "[ . 1 . 2]" 1
225 1 15 LEU HB2 1 16 GLU H 2.900 . 4.000 3.047 2.777 3.883 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU HB2 1 95 TYR QD 3.400 . 4.800 4.436 3.860 4.951 0.151 16 0 "[ . 1 . 2]" 1
227 1 15 LEU HB2 1 95 TYR QE 3.100 . 4.300 4.143 3.744 4.571 0.271 20 0 "[ . 1 . 2]" 1
228 1 15 LEU HB3 1 16 GLU H 2.800 . 3.800 3.329 2.639 4.308 0.508 14 1 "[ . 1 +. 2]" 1
229 1 15 LEU QD 1 16 GLU H 3.000 . 4.200 3.528 1.988 3.977 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU QD 1 18 ALA H 3.400 . 4.800 4.316 4.114 4.604 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU QD 1 19 LYS H 3.400 . 4.800 4.564 4.378 4.837 0.037 10 0 "[ . 1 . 2]" 1
232 1 15 LEU QD 1 95 TYR H 3.600 . 5.300 5.147 4.621 5.467 0.167 20 0 "[ . 1 . 2]" 1
233 1 15 LEU QD 1 95 TYR QB 3.300 . 4.600 3.286 2.895 4.174 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU QD 1 95 TYR QD 2.400 . 3.100 2.335 1.950 3.157 0.057 6 0 "[ . 1 . 2]" 1
235 1 15 LEU QD 1 95 TYR QE 2.600 . 3.400 1.885 1.743 2.361 0.057 14 0 "[ . 1 . 2]" 1
236 1 15 LEU HG 1 95 TYR QD 3.100 . 4.300 4.735 4.645 4.812 0.512 5 2 "[ - + 1 . 2]" 1
237 1 15 LEU HG 1 95 TYR QE 3.000 . 4.100 4.112 3.443 4.333 0.233 7 0 "[ . 1 . 2]" 1
238 1 16 GLU H 1 16 GLU HA 2.600 . 3.400 2.825 2.804 2.857 . 0 0 "[ . 1 . 2]" 1
239 1 16 GLU H 1 16 GLU HB2 2.500 . 3.300 2.431 2.078 2.883 . 0 0 "[ . 1 . 2]" 1
240 1 16 GLU H 1 16 GLU HB3 2.600 . 3.400 3.197 2.232 3.586 0.186 15 0 "[ . 1 . 2]" 1
241 1 16 GLU H 1 16 GLU QG 2.700 . 3.600 3.001 1.805 4.031 0.431 2 0 "[ . 1 . 2]" 1
242 1 16 GLU H 1 17 TYR H 2.800 . 3.800 2.567 2.425 2.667 . 0 0 "[ . 1 . 2]" 1
243 1 16 GLU H 1 18 ALA H 3.000 . 4.100 4.065 3.858 4.151 0.051 1 0 "[ . 1 . 2]" 1
244 1 16 GLU HA 1 17 TYR H 3.100 . 4.300 3.495 3.453 3.544 . 0 0 "[ . 1 . 2]" 1
245 1 16 GLU HA 1 18 ALA H 3.200 . 4.500 4.401 4.283 4.498 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLU HA 1 19 LYS H 2.400 . 3.100 3.200 3.137 3.274 0.174 19 0 "[ . 1 . 2]" 1
247 1 16 GLU HA 1 20 ARG H 3.100 . 4.300 4.210 4.000 4.384 0.084 6 0 "[ . 1 . 2]" 1
248 1 16 GLU HB2 1 17 TYR H 3.000 . 4.100 3.200 2.574 4.144 0.044 16 0 "[ . 1 . 2]" 1
249 1 16 GLU HB2 1 74 ILE MG 2.400 . 3.100 1.998 1.773 2.112 . 0 0 "[ . 1 . 2]" 1
250 1 16 GLU HB3 1 17 TYR H 3.100 . 4.300 3.326 2.565 3.993 . 0 0 "[ . 1 . 2]" 1
251 1 16 GLU HB3 1 74 ILE MG 2.600 . 3.400 2.846 2.292 3.507 0.107 15 0 "[ . 1 . 2]" 1
252 1 16 GLU QG 1 17 TYR H 3.100 . 4.300 4.030 3.030 4.446 0.146 18 0 "[ . 1 . 2]" 1
253 1 16 GLU QG 1 74 ILE MG 2.700 . 3.600 3.479 2.264 3.843 0.243 13 0 "[ . 1 . 2]" 1
254 1 17 TYR H 1 17 TYR HA 2.700 . 3.600 2.839 2.794 2.864 . 0 0 "[ . 1 . 2]" 1
255 1 17 TYR H 1 17 TYR HB2 2.900 . 4.000 2.412 2.325 2.547 . 0 0 "[ . 1 . 2]" 1
256 1 17 TYR H 1 17 TYR HB3 2.800 . 3.800 2.695 2.483 2.809 . 0 0 "[ . 1 . 2]" 1
257 1 17 TYR H 1 17 TYR QD 3.000 . 4.100 4.208 4.171 4.236 0.136 1 0 "[ . 1 . 2]" 1
258 1 17 TYR H 1 18 ALA H 3.000 . 4.100 2.574 2.483 2.740 . 0 0 "[ . 1 . 2]" 1
259 1 17 TYR H 1 18 ALA H 2.900 . 3.900 2.533 2.447 2.689 . 0 0 "[ . 1 . 2]" 1
260 1 17 TYR H 1 74 ILE MG 2.800 . 3.800 2.649 2.347 2.952 . 0 0 "[ . 1 . 2]" 1
261 1 17 TYR HA 1 18 ALA H 2.600 . 3.400 2.730 2.696 2.749 . 0 0 "[ . 1 . 2]" 1
262 1 17 TYR HA 1 19 LYS H 3.000 . 4.100 4.050 3.814 4.198 0.098 17 0 "[ . 1 . 2]" 1
263 1 17 TYR HA 1 20 ARG H 3.300 . 4.700 3.540 3.404 3.660 . 0 0 "[ . 1 . 2]" 1
264 1 17 TYR HA 1 21 ALA H 3.100 . 4.300 3.664 3.356 4.035 . 0 0 "[ . 1 . 2]" 1
265 1 17 TYR HA 1 71 ILE MG 2.900 . 3.900 3.987 3.830 4.043 0.143 10 0 "[ . 1 . 2]" 1
266 1 17 TYR HB2 1 17 TYR QD 2.700 . 3.600 2.283 2.268 2.316 . 0 0 "[ . 1 . 2]" 1
267 1 17 TYR HB2 1 18 ALA H 3.200 . 4.500 3.653 3.585 3.854 . 0 0 "[ . 1 . 2]" 1
268 1 17 TYR HB2 1 74 ILE MG 2.700 . 3.600 2.112 1.963 2.324 . 0 0 "[ . 1 . 2]" 1
269 1 17 TYR HB2 1 78 ALA MB 3.100 . 4.300 4.392 4.090 4.785 0.485 2 0 "[ . 1 . 2]" 1
270 1 17 TYR HB3 1 17 TYR QD 2.600 . 3.400 2.674 2.611 2.775 . 0 0 "[ . 1 . 2]" 1
271 1 17 TYR HB3 1 18 ALA H 3.100 . 4.300 2.474 2.348 2.622 . 0 0 "[ . 1 . 2]" 1
272 1 17 TYR HB3 1 71 ILE MG 3.400 . 4.800 5.218 4.931 5.315 0.515 3 3 "[ + . 1 * . - 2]" 1
273 1 17 TYR HB3 1 74 ILE MG 2.700 . 3.600 3.589 3.415 3.676 0.076 5 0 "[ . 1 . 2]" 1
274 1 17 TYR QD 1 18 ALA H 2.900 . 4.000 3.667 3.362 3.936 . 0 0 "[ . 1 . 2]" 1
275 1 17 TYR QD 1 18 ALA MB 2.400 . 3.100 2.742 2.450 3.055 . 0 0 "[ . 1 . 2]" 1
276 1 17 TYR QD 1 21 ALA HA 2.500 . 3.300 4.839 4.678 4.979 1.679 19 20 [*-****************+*] 1
277 1 17 TYR QD 1 21 ALA MB 2.500 . 3.300 2.141 1.852 2.337 . 0 0 "[ . 1 . 2]" 1
278 1 17 TYR QD 1 71 ILE MG 2.600 . 3.400 3.351 3.122 3.441 0.041 4 0 "[ . 1 . 2]" 1
279 1 17 TYR QD 1 74 ILE H 3.500 . 5.100 4.789 4.351 5.160 0.060 3 0 "[ . 1 . 2]" 1
280 1 17 TYR QD 1 74 ILE MD 3.000 . 4.100 3.977 3.514 4.269 0.169 3 0 "[ . 1 . 2]" 1
281 1 17 TYR QD 1 74 ILE MG 2.700 . 3.600 2.827 2.409 3.387 . 0 0 "[ . 1 . 2]" 1
282 1 17 TYR QD 1 75 HIS H 3.100 . 4.300 3.100 2.778 3.444 . 0 0 "[ . 1 . 2]" 1
283 1 17 TYR QD 1 75 HIS HB2 2.800 . 3.800 2.571 2.033 3.020 . 0 0 "[ . 1 . 2]" 1
284 1 17 TYR QD 1 75 HIS HB3 2.600 . 3.400 2.994 2.489 3.625 0.225 20 0 "[ . 1 . 2]" 1
285 1 17 TYR QD 1 96 THR MG 2.400 . 3.100 2.203 1.959 2.492 . 0 0 "[ . 1 . 2]" 1
286 1 17 TYR QD 1 98 VAL QG 2.400 . 3.100 2.982 2.521 3.536 0.436 5 0 "[ . 1 . 2]" 1
287 1 17 TYR QE 1 18 ALA MB 3.100 . 4.300 5.733 5.250 6.034 1.734 12 20 [***********+*******-] 1
288 1 17 TYR QE 1 21 ALA HA 3.000 . 4.100 4.645 4.571 4.702 0.602 4 17 "[***+* ****** -*****2]" 1
289 1 17 TYR QE 1 21 ALA MB 2.500 . 3.300 2.318 2.243 2.504 . 0 0 "[ . 1 . 2]" 1
290 1 17 TYR QE 1 71 ILE MD 3.600 . 5.200 4.846 4.480 5.081 . 0 0 "[ . 1 . 2]" 1
291 1 17 TYR QE 1 71 ILE QG 3.100 . 4.300 4.061 3.810 4.200 . 0 0 "[ . 1 . 2]" 1
292 1 17 TYR QE 1 71 ILE MG 2.600 . 3.400 2.685 2.524 2.784 . 0 0 "[ . 1 . 2]" 1
293 1 17 TYR QE 1 72 LEU H 2.700 . 3.600 5.127 4.868 5.395 1.795 3 20 [**+************-****] 1
294 1 17 TYR QE 1 72 LEU HA 3.400 . 4.800 3.268 2.810 3.703 . 0 0 "[ . 1 . 2]" 1
295 1 17 TYR QE 1 74 ILE MG 3.700 . 5.400 4.713 4.230 5.287 . 0 0 "[ . 1 . 2]" 1
296 1 17 TYR QE 1 75 HIS H 3.200 . 4.500 3.486 3.154 3.914 . 0 0 "[ . 1 . 2]" 1
297 1 17 TYR QE 1 75 HIS HB2 2.900 . 3.900 1.986 1.734 2.396 0.166 20 0 "[ . 1 . 2]" 1
298 1 17 TYR QE 1 75 HIS HB3 2.800 . 3.800 1.971 1.757 3.082 0.043 17 0 "[ . 1 . 2]" 1
299 1 17 TYR QE 1 75 HIS HD2 3.200 . 4.400 4.549 4.025 4.643 0.243 10 0 "[ . 1 . 2]" 1
300 1 17 TYR QE 1 75 HIS HE1 3.100 . 4.300 5.463 5.115 5.897 1.597 4 20 [***+***************-] 1
301 1 17 TYR QE 1 96 THR MG 2.500 . 3.300 3.097 1.994 3.351 0.051 17 0 "[ . 1 . 2]" 1
302 1 17 TYR QE 1 98 VAL HB 3.400 . 4.800 3.775 2.551 4.957 0.157 13 0 "[ . 1 . 2]" 1
303 1 17 TYR QE 1 98 VAL QG 2.500 . 3.300 1.966 1.738 2.637 0.162 10 0 "[ . 1 . 2]" 1
304 1 17 TYR QE 1 100 PRO HA 3.200 . 4.400 4.427 4.094 4.628 0.228 11 0 "[ . 1 . 2]" 1
305 1 17 TYR QE 1 100 PRO HD2 3.700 . 5.400 5.536 5.013 6.033 0.633 1 3 "[+ . -1* . 2]" 1
306 1 17 TYR QE 1 100 PRO HD3 3.300 . 4.700 4.026 3.411 4.599 . 0 0 "[ . 1 . 2]" 1
307 1 18 ALA H 1 18 ALA MB 2.400 . 3.100 2.187 2.040 2.259 . 0 0 "[ . 1 . 2]" 1
308 1 18 ALA H 1 20 ARG H 2.800 . 3.800 2.357 2.094 2.501 . 0 0 "[ . 1 . 2]" 1
309 1 18 ALA HA 1 19 LYS H 2.900 . 4.000 3.452 3.349 3.515 . 0 0 "[ . 1 . 2]" 1
310 1 18 ALA HA 1 20 ARG H 3.300 . 4.700 4.158 3.903 4.322 . 0 0 "[ . 1 . 2]" 1
311 1 18 ALA HA 1 21 ALA H 2.800 . 3.800 3.651 3.315 3.906 0.106 7 0 "[ . 1 . 2]" 1
312 1 18 ALA HA 1 22 ALA H 2.900 . 3.900 4.033 3.964 4.123 0.223 15 0 "[ . 1 . 2]" 1
313 1 18 ALA HA 1 96 THR MG 2.400 . 3.100 2.483 1.689 3.207 0.107 5 0 "[ . 1 . 2]" 1
314 1 18 ALA MB 1 19 LYS H 2.500 . 3.300 2.981 2.808 3.240 . 0 0 "[ . 1 . 2]" 1
315 1 18 ALA MB 1 95 TYR H 2.900 . 4.000 4.209 4.119 4.358 0.358 13 0 "[ . 1 . 2]" 1
316 1 18 ALA MB 1 96 THR H 2.900 . 4.000 3.105 2.617 3.578 . 0 0 "[ . 1 . 2]" 1
317 1 18 ALA MB 1 96 THR HA 2.700 . 3.600 3.269 2.240 3.879 0.279 8 0 "[ . 1 . 2]" 1
318 1 19 LYS H 1 19 LYS HA 2.300 . 3.000 2.890 2.858 2.931 . 0 0 "[ . 1 . 2]" 1
319 1 19 LYS H 1 19 LYS HB2 2.400 . 3.100 2.137 2.086 2.247 . 0 0 "[ . 1 . 2]" 1
320 1 19 LYS H 1 19 LYS HB3 2.500 . 3.300 3.283 3.191 3.377 0.077 8 0 "[ . 1 . 2]" 1
321 1 19 LYS H 1 19 LYS QD 2.400 . 3.100 3.012 2.860 3.094 . 0 0 "[ . 1 . 2]" 1
322 1 19 LYS H 1 19 LYS QE 3.500 . 5.000 4.554 3.739 5.129 0.129 19 0 "[ . 1 . 2]" 1
323 1 19 LYS H 1 19 LYS QG 3.000 . 4.100 3.873 3.431 4.021 . 0 0 "[ . 1 . 2]" 1
324 1 19 LYS H 1 20 ARG H 3.000 . 4.200 2.371 2.100 2.519 . 0 0 "[ . 1 . 2]" 1
325 1 19 LYS H 1 21 ALA H 3.300 . 4.700 3.892 3.692 4.012 . 0 0 "[ . 1 . 2]" 1
326 1 19 LYS HA 1 20 ARG H 3.100 . 4.300 3.465 3.352 3.529 . 0 0 "[ . 1 . 2]" 1
327 1 19 LYS HA 1 21 ALA H 3.600 . 5.200 4.776 4.509 4.961 . 0 0 "[ . 1 . 2]" 1
328 1 19 LYS HA 1 22 ALA H 3.300 . 4.600 4.006 3.737 4.168 . 0 0 "[ . 1 . 2]" 1
329 1 19 LYS HA 1 22 ALA MB 2.300 . 3.000 2.993 2.766 3.085 0.085 18 0 "[ . 1 . 2]" 1
330 1 19 LYS HB2 1 20 ARG H 2.800 . 3.800 3.365 2.996 3.696 . 0 0 "[ . 1 . 2]" 1
331 1 19 LYS HB3 1 20 ARG H 2.900 . 3.900 3.333 2.945 3.672 . 0 0 "[ . 1 . 2]" 1
332 1 19 LYS QD 1 20 ARG H 2.800 . 3.800 4.720 4.511 4.904 1.104 18 20 [*********-*******+**] 1
333 1 20 ARG H 1 20 ARG HA 2.900 . 3.900 2.919 2.890 2.943 . 0 0 "[ . 1 . 2]" 1
334 1 20 ARG H 1 20 ARG HB2 2.800 . 3.800 2.354 2.124 2.625 . 0 0 "[ . 1 . 2]" 1
335 1 20 ARG H 1 20 ARG HB3 2.900 . 4.000 3.551 3.235 3.731 . 0 0 "[ . 1 . 2]" 1
336 1 20 ARG H 1 20 ARG QD 3.500 . 5.000 4.322 3.207 4.770 . 0 0 "[ . 1 . 2]" 1
337 1 20 ARG H 1 20 ARG HG2 3.100 . 4.300 3.833 2.392 4.394 0.094 16 0 "[ . 1 . 2]" 1
338 1 20 ARG H 1 20 ARG HG3 3.000 . 4.100 3.327 2.841 3.849 . 0 0 "[ . 1 . 2]" 1
339 1 20 ARG H 1 21 ALA H 2.800 . 3.700 2.209 2.055 2.363 . 0 0 "[ . 1 . 2]" 1
340 1 20 ARG H 1 22 ALA H 3.400 . 4.800 3.511 3.142 3.749 . 0 0 "[ . 1 . 2]" 1
341 1 20 ARG H 1 71 ILE MD 3.500 . 5.000 4.513 4.170 4.834 . 0 0 "[ . 1 . 2]" 1
342 1 20 ARG HA 1 21 ALA H 3.700 . 5.500 3.517 3.496 3.537 . 0 0 "[ . 1 . 2]" 1
343 1 20 ARG HA 1 22 ALA H 2.700 . 3.600 3.730 3.676 3.781 0.181 17 0 "[ . 1 . 2]" 1
344 1 20 ARG HA 1 24 PHE H 3.200 . 4.500 4.473 4.328 4.552 0.052 15 0 "[ . 1 . 2]" 1
345 1 20 ARG HB2 1 21 ALA H 3.200 . 4.500 2.881 2.657 3.175 . 0 0 "[ . 1 . 2]" 1
346 1 20 ARG HB3 1 21 ALA H 3.000 . 4.100 3.481 3.004 3.911 . 0 0 "[ . 1 . 2]" 1
347 1 20 ARG HG3 1 21 ALA H 3.400 . 4.800 4.747 4.397 5.056 0.256 15 0 "[ . 1 . 2]" 1
348 1 21 ALA H 1 21 ALA HA 2.800 . 3.800 2.844 2.827 2.864 . 0 0 "[ . 1 . 2]" 1
349 1 21 ALA H 1 21 ALA MB 2.600 . 3.500 2.150 2.041 2.268 . 0 0 "[ . 1 . 2]" 1
350 1 21 ALA H 1 22 ALA H 2.700 . 3.600 2.544 2.457 2.595 . 0 0 "[ . 1 . 2]" 1
351 1 21 ALA H 1 71 ILE MD 3.300 . 4.700 3.507 3.154 3.993 . 0 0 "[ . 1 . 2]" 1
352 1 21 ALA H 1 71 ILE QG 3.100 . 4.300 3.221 2.985 3.503 . 0 0 "[ . 1 . 2]" 1
353 1 21 ALA H 1 71 ILE MG 3.500 . 5.000 4.475 4.364 4.581 . 0 0 "[ . 1 . 2]" 1
354 1 21 ALA HA 1 21 ALA MB 2.100 . 2.600 2.103 2.079 2.126 . 0 0 "[ . 1 . 2]" 1
355 1 21 ALA HA 1 22 ALA H 2.900 . 4.000 3.410 3.352 3.446 . 0 0 "[ . 1 . 2]" 1
356 1 21 ALA HA 1 24 PHE H 3.100 . 4.300 3.574 3.324 3.709 . 0 0 "[ . 1 . 2]" 1
357 1 21 ALA HA 1 24 PHE HB2 3.800 . 5.600 3.061 2.677 3.368 . 0 0 "[ . 1 . 2]" 1
358 1 21 ALA HA 1 24 PHE HB3 3.300 . 4.700 2.371 2.053 2.560 . 0 0 "[ . 1 . 2]" 1
359 1 21 ALA HA 1 24 PHE QD 2.500 . 3.300 3.176 2.945 3.325 0.025 18 0 "[ . 1 . 2]" 1
360 1 21 ALA HA 1 25 ASN H 3.400 . 4.900 3.748 3.604 3.866 . 0 0 "[ . 1 . 2]" 1
361 1 21 ALA HA 1 71 ILE MD 2.800 . 3.800 2.529 2.105 3.153 . 0 0 "[ . 1 . 2]" 1
362 1 21 ALA HA 1 71 ILE MG 2.700 . 3.600 3.847 3.769 3.907 0.307 10 0 "[ . 1 . 2]" 1
363 1 21 ALA MB 1 22 ALA H 2.500 . 3.300 3.067 2.938 3.246 . 0 0 "[ . 1 . 2]" 1
364 1 22 ALA H 1 22 ALA HA 2.500 . 3.300 2.846 2.826 2.873 . 0 0 "[ . 1 . 2]" 1
365 1 22 ALA H 1 22 ALA MB 2.200 . 2.800 2.113 2.059 2.266 . 0 0 "[ . 1 . 2]" 1
366 1 22 ALA H 1 23 PRO HD2 2.500 . 3.300 2.253 2.031 2.568 . 0 0 "[ . 1 . 2]" 1
367 1 22 ALA H 1 23 PRO HD3 2.700 . 3.600 3.106 2.560 3.319 . 0 0 "[ . 1 . 2]" 1
368 1 22 ALA H 1 23 PRO HG2 3.400 . 4.800 4.432 4.161 4.680 . 0 0 "[ . 1 . 2]" 1
369 1 22 ALA H 1 23 PRO HG3 3.200 . 4.500 4.827 4.707 4.917 0.417 15 0 "[ . 1 . 2]" 1
370 1 22 ALA H 1 24 PHE H 3.400 . 4.900 3.720 3.539 3.901 . 0 0 "[ . 1 . 2]" 1
371 1 22 ALA HA 1 22 ALA MB 2.100 . 2.700 2.088 2.074 2.121 . 0 0 "[ . 1 . 2]" 1
372 1 22 ALA HA 1 24 PHE H 3.200 . 4.500 4.328 4.180 4.500 . 0 0 "[ . 1 . 2]" 1
373 1 22 ALA HA 1 25 ASN H 2.700 . 3.600 3.609 3.449 3.782 0.182 13 0 "[ . 1 . 2]" 1
374 1 22 ALA HA 1 25 ASN HB2 3.000 . 4.100 3.658 3.126 3.847 . 0 0 "[ . 1 . 2]" 1
375 1 22 ALA HA 1 25 ASN HB3 2.700 . 3.600 3.490 2.726 3.982 0.382 18 0 "[ . 1 . 2]" 1
376 1 22 ALA HA 1 26 ASN H 2.400 . 3.100 4.402 4.272 4.564 1.464 1 20 [+*********-*********] 1
377 1 22 ALA MB 1 23 PRO HD2 2.300 . 3.000 2.744 2.529 3.119 0.119 10 0 "[ . 1 . 2]" 1
378 1 22 ALA MB 1 23 PRO HD3 2.200 . 2.800 2.064 1.780 2.231 . 0 0 "[ . 1 . 2]" 1
379 1 22 ALA MB 1 25 ASN H 3.600 . 5.200 4.642 4.546 4.739 . 0 0 "[ . 1 . 2]" 1
380 1 22 ALA MB 1 26 ASN H 3.400 . 4.800 4.938 4.800 5.085 0.285 1 0 "[ . 1 . 2]" 1
381 1 22 ALA MB 1 26 ASN HD21 3.700 . 5.400 3.775 3.369 4.532 . 0 0 "[ . 1 . 2]" 1
382 1 22 ALA MB 1 26 ASN HD22 3.500 . 5.000 4.404 3.872 5.130 0.130 6 0 "[ . 1 . 2]" 1
383 1 23 PRO HA 1 24 PHE H 2.900 . 3.900 3.496 3.472 3.520 . 0 0 "[ . 1 . 2]" 1
384 1 23 PRO HA 1 25 ASN H 3.000 . 4.200 4.385 4.352 4.420 0.220 19 0 "[ . 1 . 2]" 1
385 1 23 PRO HA 1 26 ASN H 2.800 . 3.800 3.272 3.190 3.393 . 0 0 "[ . 1 . 2]" 1
386 1 23 PRO HA 1 26 ASN HB2 2.700 . 3.600 2.133 1.941 2.354 . 0 0 "[ . 1 . 2]" 1
387 1 23 PRO HA 1 26 ASN HB3 2.900 . 4.000 3.482 3.177 3.812 . 0 0 "[ . 1 . 2]" 1
388 1 23 PRO HA 1 26 ASN HD21 3.200 . 4.500 2.971 2.455 3.201 . 0 0 "[ . 1 . 2]" 1
389 1 23 PRO HA 1 26 ASN HD22 3.300 . 4.700 4.408 4.016 4.809 0.109 8 0 "[ . 1 . 2]" 1
390 1 23 PRO HA 1 27 TRP H 3.000 . 4.200 4.012 3.892 4.157 . 0 0 "[ . 1 . 2]" 1
391 1 23 PRO HB2 1 24 PHE H 3.000 . 4.100 3.280 2.854 3.497 . 0 0 "[ . 1 . 2]" 1
392 1 23 PRO HB3 1 24 PHE H 3.100 . 4.300 4.177 4.109 4.258 . 0 0 "[ . 1 . 2]" 1
393 1 23 PRO HD2 1 24 PHE H 3.200 . 4.400 2.591 2.336 2.742 . 0 0 "[ . 1 . 2]" 1
394 1 23 PRO HD3 1 24 PHE H 3.200 . 4.500 3.815 3.669 3.886 . 0 0 "[ . 1 . 2]" 1
395 1 23 PRO HG2 1 24 PHE H 3.200 . 4.400 2.869 2.372 3.966 . 0 0 "[ . 1 . 2]" 1
396 1 23 PRO HG3 1 24 PHE H 3.300 . 4.700 4.111 3.884 4.495 . 0 0 "[ . 1 . 2]" 1
397 1 24 PHE H 1 24 PHE HA 2.800 . 3.800 2.828 2.809 2.853 . 0 0 "[ . 1 . 2]" 1
398 1 24 PHE H 1 24 PHE HB2 2.700 . 3.600 2.363 2.213 2.443 . 0 0 "[ . 1 . 2]" 1
399 1 24 PHE H 1 24 PHE HB3 2.800 . 3.800 2.710 2.589 2.898 . 0 0 "[ . 1 . 2]" 1
400 1 24 PHE H 1 24 PHE QD 2.900 . 3.900 4.124 4.074 4.150 0.250 19 0 "[ . 1 . 2]" 1
401 1 24 PHE H 1 25 ASN H 2.800 . 3.800 2.614 2.537 2.674 . 0 0 "[ . 1 . 2]" 1
402 1 24 PHE H 1 26 ASN H 3.500 . 5.100 3.765 3.694 3.842 . 0 0 "[ . 1 . 2]" 1
403 1 24 PHE H 1 71 ILE MD 3.300 . 4.600 4.391 4.073 4.615 0.015 17 0 "[ . 1 . 2]" 1
404 1 24 PHE HA 1 24 PHE QD 2.500 . 3.300 1.809 1.717 1.888 . 0 0 "[ . 1 . 2]" 1
405 1 24 PHE HA 1 24 PHE QE 3.000 . 4.100 4.176 4.079 4.249 0.149 14 0 "[ . 1 . 2]" 1
406 1 24 PHE HA 1 25 ASN H 3.200 . 4.500 3.538 3.527 3.550 . 0 0 "[ . 1 . 2]" 1
407 1 24 PHE HA 1 26 ASN H 2.900 . 3.900 4.089 4.039 4.139 0.239 6 0 "[ . 1 . 2]" 1
408 1 24 PHE HA 1 27 TRP H 2.900 . 4.000 3.329 3.203 3.484 . 0 0 "[ . 1 . 2]" 1
409 1 24 PHE HA 1 27 TRP QB 3.500 . 4.500 2.588 2.343 2.838 . 0 0 "[ . 1 . 2]" 1
410 1 24 PHE HA 1 27 TRP HD1 3.000 . 4.100 5.883 5.418 6.045 1.945 15 20 [**************+*-***] 1
411 1 24 PHE HA 1 28 MET H 3.600 . 5.200 3.964 3.772 4.165 . 0 0 "[ . 1 . 2]" 1
412 1 24 PHE HB2 1 24 PHE QD 2.400 . 3.100 2.723 2.597 2.756 . 0 0 "[ . 1 . 2]" 1
413 1 24 PHE HB2 1 24 PHE QE 3.000 . 4.100 4.486 4.452 4.497 0.397 1 0 "[ . 1 . 2]" 1
414 1 24 PHE HB2 1 25 ASN H 3.200 . 4.400 3.710 3.526 3.821 . 0 0 "[ . 1 . 2]" 1
415 1 24 PHE HB2 1 71 ILE MD 2.600 . 3.500 2.921 2.594 3.126 . 0 0 "[ . 1 . 2]" 1
416 1 24 PHE HB3 1 24 PHE QD 2.600 . 3.500 2.439 2.371 2.604 . 0 0 "[ . 1 . 2]" 1
417 1 24 PHE HB3 1 24 PHE QE 3.200 . 4.400 4.414 4.395 4.453 0.053 5 0 "[ . 1 . 2]" 1
418 1 24 PHE HB3 1 25 ASN H 3.100 . 4.300 2.578 2.467 2.639 . 0 0 "[ . 1 . 2]" 1
419 1 24 PHE HB3 1 71 ILE MD 3.200 . 4.500 3.252 2.823 3.489 . 0 0 "[ . 1 . 2]" 1
420 1 24 PHE QD 1 103 ILE QG 2.900 . 3.900 2.443 2.147 2.748 . 0 0 "[ . 1 . 2]" 1
421 1 24 PHE QD 1 25 ASN H 3.300 . 4.700 4.320 4.220 4.412 . 0 0 "[ . 1 . 2]" 1
422 1 24 PHE QD 1 27 TRP H 3.100 . 4.300 4.349 4.154 4.509 0.209 14 0 "[ . 1 . 2]" 1
423 1 24 PHE QD 1 28 MET ME 2.500 . 3.300 2.980 2.831 3.057 . 0 0 "[ . 1 . 2]" 1
424 1 24 PHE QD 1 28 MET QG 2.600 . 3.400 3.365 2.990 3.499 0.099 9 0 "[ . 1 . 2]" 1
425 1 24 PHE QD 1 64 ALA HA 2.700 . 3.600 3.342 3.207 3.534 . 0 0 "[ . 1 . 2]" 1
426 1 24 PHE QD 1 64 ALA MB 2.500 . 3.300 3.336 2.892 3.726 0.426 15 0 "[ . 1 . 2]" 1
427 1 24 PHE QD 1 71 ILE MD 2.600 . 3.400 2.162 1.850 2.445 . 0 0 "[ . 1 . 2]" 1
428 1 24 PHE QD 1 103 ILE MG 2.400 . 3.200 3.939 3.684 4.186 0.986 2 19 "[*+*************** *-]" 1
429 1 24 PHE QE 1 28 MET ME 2.800 . 3.800 2.703 2.324 3.118 . 0 0 "[ . 1 . 2]" 1
430 1 24 PHE QE 1 28 MET QG 3.300 . 4.700 3.388 3.035 4.098 . 0 0 "[ . 1 . 2]" 1
431 1 24 PHE QE 1 64 ALA HA 2.900 . 4.000 2.211 1.884 2.630 . 0 0 "[ . 1 . 2]" 1
432 1 24 PHE QE 1 64 ALA MB 2.500 . 3.300 2.025 1.701 2.797 . 0 0 "[ . 1 . 2]" 1
433 1 24 PHE QE 1 68 ARG H 3.100 . 4.300 3.444 2.857 3.853 . 0 0 "[ . 1 . 2]" 1
434 1 24 PHE QE 1 68 ARG HB2 3.200 . 4.500 2.066 1.471 3.274 0.429 6 0 "[ . 1 . 2]" 1
435 1 24 PHE QE 1 68 ARG QD 3.300 . 4.700 3.872 3.488 4.718 0.018 2 0 "[ . 1 . 2]" 1
436 1 24 PHE QE 1 69 GLU H 3.500 . 5.100 5.090 4.641 5.298 0.198 6 0 "[ . 1 . 2]" 1
437 1 24 PHE QE 1 71 ILE MD 3.100 . 4.300 3.434 3.088 3.813 . 0 0 "[ . 1 . 2]" 1
438 1 24 PHE QE 1 103 ILE QG 2.900 . 3.900 2.601 2.347 2.886 . 0 0 "[ . 1 . 2]" 1
439 1 24 PHE QE 1 103 ILE MG 2.500 . 3.300 3.273 2.854 3.356 0.056 13 0 "[ . 1 . 2]" 1
440 1 24 PHE QE 1 107 TRP HE3 2.800 . 3.800 3.071 2.619 3.423 . 0 0 "[ . 1 . 2]" 1
441 1 24 PHE HZ 1 68 ARG H 3.000 . 4.100 3.626 3.372 3.876 . 0 0 "[ . 1 . 2]" 1
442 1 24 PHE HZ 1 68 ARG HB2 3.000 . 4.100 3.030 2.250 4.145 0.045 9 0 "[ . 1 . 2]" 1
443 1 24 PHE HZ 1 69 GLU H 3.500 . 5.000 5.815 5.647 5.975 0.975 20 20 [************-******+] 1
444 1 24 PHE HZ 1 107 TRP HE3 2.800 . 3.800 2.569 2.221 3.109 . 0 0 "[ . 1 . 2]" 1
445 1 25 ASN H 1 25 ASN HA 2.700 . 3.600 2.848 2.822 2.867 . 0 0 "[ . 1 . 2]" 1
446 1 25 ASN H 1 25 ASN HB2 2.800 . 3.800 2.365 2.128 2.749 . 0 0 "[ . 1 . 2]" 1
447 1 25 ASN H 1 25 ASN HB3 2.700 . 3.600 2.811 2.315 3.114 . 0 0 "[ . 1 . 2]" 1
448 1 25 ASN H 1 25 ASN QD 3.400 . 4.800 4.541 4.234 4.647 . 0 0 "[ . 1 . 2]" 1
449 1 25 ASN H 1 26 ASN H 2.500 . 3.300 2.430 2.376 2.484 . 0 0 "[ . 1 . 2]" 1
450 1 25 ASN H 1 27 TRP H 3.500 . 5.000 3.999 3.873 4.095 . 0 0 "[ . 1 . 2]" 1
451 1 25 ASN H 1 71 ILE MD 3.600 . 5.300 5.257 4.913 5.439 0.139 5 0 "[ . 1 . 2]" 1
452 1 25 ASN H 1 103 ILE MD 2.800 . 3.800 3.802 3.428 3.984 0.184 19 0 "[ . 1 . 2]" 1
453 1 25 ASN HA 1 25 ASN QD 3.600 . 5.000 3.692 2.089 4.056 . 0 0 "[ . 1 . 2]" 1
454 1 25 ASN HA 1 26 ASN H 2.400 . 3.100 3.420 3.393 3.445 0.345 6 0 "[ . 1 . 2]" 1
455 1 25 ASN HA 1 27 TRP H 3.000 . 4.100 4.235 3.984 4.310 0.210 1 0 "[ . 1 . 2]" 1
456 1 25 ASN HA 1 28 MET H 3.300 . 4.600 3.303 3.125 3.659 . 0 0 "[ . 1 . 2]" 1
457 1 25 ASN HA 1 29 GLU H 2.900 . 4.000 3.925 3.647 4.154 0.154 13 0 "[ . 1 . 2]" 1
458 1 25 ASN HB2 1 25 ASN QD 3.200 . 4.500 2.703 2.321 3.118 . 0 0 "[ . 1 . 2]" 1
459 1 25 ASN HB2 1 26 ASN H 2.700 . 3.600 3.771 3.464 4.018 0.418 11 0 "[ . 1 . 2]" 1
460 1 25 ASN HB3 1 25 ASN QD 3.500 . 5.000 2.452 2.084 3.351 . 0 0 "[ . 1 . 2]" 1
461 1 25 ASN HB3 1 26 ASN H 2.900 . 3.900 2.963 2.774 3.190 . 0 0 "[ . 1 . 2]" 1
462 1 25 ASN QD 1 98 VAL QG 3.200 . 4.300 3.043 1.964 3.718 . 0 0 "[ . 1 . 2]" 1
463 1 26 ASN H 1 26 ASN HA 2.400 . 3.100 2.860 2.842 2.877 . 0 0 "[ . 1 . 2]" 1
464 1 26 ASN H 1 26 ASN HB2 2.300 . 3.000 2.135 2.084 2.177 . 0 0 "[ . 1 . 2]" 1
465 1 26 ASN H 1 26 ASN HB3 2.400 . 3.100 3.410 3.274 3.477 0.377 12 0 "[ . 1 . 2]" 1
466 1 26 ASN H 1 26 ASN HD21 3.000 . 4.200 3.135 2.553 4.273 0.073 9 0 "[ . 1 . 2]" 1
467 1 26 ASN H 1 27 TRP H 2.700 . 3.600 2.437 2.347 2.530 . 0 0 "[ . 1 . 2]" 1
468 1 26 ASN H 1 28 MET H 2.500 . 3.300 4.010 3.891 4.291 0.991 9 20 [********+******-****] 1
469 1 26 ASN H 1 103 ILE MD 3.200 . 4.500 5.682 5.190 5.936 1.436 15 20 [**************+*-***] 1
470 1 26 ASN HA 1 26 ASN HD21 3.700 . 5.400 3.648 3.197 4.330 . 0 0 "[ . 1 . 2]" 1
471 1 26 ASN HA 1 26 ASN HD22 3.500 . 5.000 4.050 3.827 4.442 . 0 0 "[ . 1 . 2]" 1
472 1 26 ASN HA 1 27 TRP H 3.100 . 4.300 3.496 3.424 3.518 . 0 0 "[ . 1 . 2]" 1
473 1 26 ASN HA 1 28 MET H 3.500 . 5.000 4.647 4.399 4.869 . 0 0 "[ . 1 . 2]" 1
474 1 26 ASN HA 1 29 GLU H 3.000 . 4.100 3.665 3.355 4.103 0.003 8 0 "[ . 1 . 2]" 1
475 1 26 ASN HA 1 30 SER H 3.200 . 4.500 4.225 3.980 4.498 . 0 0 "[ . 1 . 2]" 1
476 1 26 ASN HB2 1 26 ASN HD21 2.700 . 3.600 2.234 2.115 2.360 . 0 0 "[ . 1 . 2]" 1
477 1 26 ASN HB2 1 26 ASN HD22 2.700 . 3.600 3.478 3.430 3.527 . 0 0 "[ . 1 . 2]" 1
478 1 26 ASN HB2 1 27 TRP H 2.800 . 3.800 2.911 2.728 3.363 . 0 0 "[ . 1 . 2]" 1
479 1 26 ASN HB3 1 26 ASN HD21 2.800 . 3.800 3.330 2.753 3.513 . 0 0 "[ . 1 . 2]" 1
480 1 26 ASN HB3 1 26 ASN HD22 2.900 . 3.900 3.980 3.704 4.073 0.173 7 0 "[ . 1 . 2]" 1
481 1 26 ASN HB3 1 27 TRP H 2.700 . 3.600 3.171 2.895 3.340 . 0 0 "[ . 1 . 2]" 1
482 1 27 TRP H 1 27 TRP HA 2.700 . 3.600 2.831 2.796 2.895 . 0 0 "[ . 1 . 2]" 1
483 1 27 TRP H 1 27 TRP QB 2.700 . 3.400 2.223 2.196 2.275 . 0 0 "[ . 1 . 2]" 1
484 1 27 TRP H 1 27 TRP HD1 3.300 . 4.600 5.015 4.879 5.127 0.527 15 2 "[ . - 1 + 2]" 1
485 1 27 TRP H 1 27 TRP HE3 3.200 . 4.500 4.531 4.386 4.705 0.205 17 0 "[ . 1 . 2]" 1
486 1 27 TRP H 1 28 MET H 3.200 . 4.500 2.640 2.424 2.789 . 0 0 "[ . 1 . 2]" 1
487 1 27 TRP H 1 28 MET H 2.800 . 3.800 2.609 2.404 2.734 . 0 0 "[ . 1 . 2]" 1
488 1 27 TRP H 1 29 GLU H 3.500 . 5.000 4.093 3.781 4.371 . 0 0 "[ . 1 . 2]" 1
489 1 27 TRP HA 1 27 TRP HD1 2.400 . 3.100 3.138 3.087 3.173 0.073 16 0 "[ . 1 . 2]" 1
490 1 27 TRP HA 1 27 TRP HE1 3.300 . 4.700 5.124 5.083 5.179 0.479 14 0 "[ . 1 . 2]" 1
491 1 27 TRP HA 1 27 TRP HE3 3.400 . 4.900 4.627 4.550 4.706 . 0 0 "[ . 1 . 2]" 1
492 1 27 TRP HA 1 28 MET H 3.400 . 4.800 3.550 3.539 3.577 . 0 0 "[ . 1 . 2]" 1
493 1 27 TRP HA 1 30 SER H 2.700 . 3.600 3.662 3.576 3.718 0.118 20 0 "[ . 1 . 2]" 1
494 1 27 TRP HA 1 31 ALA H 3.100 . 4.300 3.918 3.544 4.153 . 0 0 "[ . 1 . 2]" 1
495 1 27 TRP QB 1 27 TRP HD1 2.400 . 3.100 2.657 2.636 2.681 . 0 0 "[ . 1 . 2]" 1
496 1 27 TRP QB 1 27 TRP HE1 3.500 . 4.300 4.448 4.435 4.466 0.166 11 0 "[ . 1 . 2]" 1
497 1 27 TRP QB 1 27 TRP HE3 3.000 . 3.900 2.473 2.455 2.488 . 0 0 "[ . 1 . 2]" 1
498 1 27 TRP QB 1 28 MET H 3.200 . 4.500 2.364 2.275 2.446 . 0 0 "[ . 1 . 2]" 1
499 1 27 TRP HD1 1 30 SER QB 3.000 . 4.200 4.997 4.504 5.326 1.126 9 19 [********+*****.-****] 1
500 1 27 TRP HE1 1 31 ALA MB 3.200 . 4.500 3.922 3.379 4.489 . 0 0 "[ . 1 . 2]" 1
501 1 27 TRP HE1 1 57 PHE QE 3.000 . 4.100 3.891 3.288 4.200 0.100 12 0 "[ . 1 . 2]" 1
502 1 27 TRP HE1 1 60 THR HB 3.700 . 5.400 3.234 2.735 3.989 . 0 0 "[ . 1 . 2]" 1
503 1 27 TRP HE1 1 60 THR MG 3.200 . 4.500 2.940 2.353 3.578 . 0 0 "[ . 1 . 2]" 1
504 1 27 TRP HE1 1 64 ALA MB 3.200 . 4.500 4.552 4.428 4.584 0.084 14 0 "[ . 1 . 2]" 1
505 1 27 TRP HE3 1 28 MET H 2.900 . 3.900 2.717 2.574 2.816 . 0 0 "[ . 1 . 2]" 1
506 1 27 TRP HE3 1 28 MET HA 2.800 . 3.800 2.766 2.558 3.068 . 0 0 "[ . 1 . 2]" 1
507 1 27 TRP HE3 1 28 MET QG 3.000 . 4.100 2.107 1.868 3.004 0.032 17 0 "[ . 1 . 2]" 1
508 1 27 TRP HE3 1 31 ALA MB 3.400 . 4.800 4.043 3.801 4.360 . 0 0 "[ . 1 . 2]" 1
509 1 27 TRP HE3 1 107 TRP HE3 3.200 . 4.500 4.265 3.850 4.606 0.106 3 0 "[ . 1 . 2]" 1
510 1 27 TRP HH2 1 61 LEU HA 3.400 . 4.900 3.647 3.130 4.221 . 0 0 "[ . 1 . 2]" 1
511 1 27 TRP HH2 1 61 LEU QD 2.400 . 3.100 2.125 1.767 2.677 . 0 0 "[ . 1 . 2]" 1
512 1 27 TRP HH2 1 64 ALA MB 2.800 . 3.800 3.540 3.190 3.826 0.026 13 0 "[ . 1 . 2]" 1
513 1 27 TRP HH2 1 107 TRP HE3 3.200 . 4.500 4.216 3.632 4.606 0.106 1 0 "[ . 1 . 2]" 1
514 1 27 TRP HH2 1 110 VAL QG 2.900 . 4.000 2.600 2.169 3.097 . 0 0 "[ . 1 . 2]" 1
515 1 27 TRP HZ2 1 31 ALA MB 3.000 . 4.100 3.790 3.379 4.134 0.034 1 0 "[ . 1 . 2]" 1
516 1 27 TRP HZ2 1 57 PHE HZ 3.000 . 4.100 3.860 3.359 4.392 0.292 17 0 "[ . 1 . 2]" 1
517 1 27 TRP HZ2 1 61 LEU HA 2.800 . 3.800 3.874 3.731 3.955 0.155 11 0 "[ . 1 . 2]" 1
518 1 27 TRP HZ2 1 61 LEU QD 2.700 . 3.300 2.471 2.045 2.814 . 0 0 "[ . 1 . 2]" 1
519 1 27 TRP HZ3 1 28 MET H 3.400 . 4.900 4.918 4.744 5.046 0.146 13 0 "[ . 1 . 2]" 1
520 1 27 TRP HZ3 1 64 ALA MB 3.000 . 4.100 3.597 3.102 3.948 . 0 0 "[ . 1 . 2]" 1
521 1 27 TRP HZ3 1 107 TRP HE3 3.100 . 4.300 2.608 2.318 2.832 . 0 0 "[ . 1 . 2]" 1
522 1 27 TRP HZ3 1 110 VAL QG 3.300 . 4.700 2.863 2.301 3.142 . 0 0 "[ . 1 . 2]" 1
523 1 28 MET H 1 28 MET HB2 3.200 . 4.500 2.395 2.179 3.587 . 0 0 "[ . 1 . 2]" 1
524 1 28 MET H 1 28 MET HB3 3.100 . 4.300 3.517 2.904 3.592 . 0 0 "[ . 1 . 2]" 1
525 1 28 MET H 1 28 MET ME 3.200 . 4.400 4.197 3.177 4.598 0.198 3 0 "[ . 1 . 2]" 1
526 1 28 MET H 1 28 MET QG 3.100 . 4.300 2.494 1.900 2.861 0.100 9 0 "[ . 1 . 2]" 1
527 1 28 MET H 1 30 SER H 2.500 . 3.300 2.681 2.506 2.820 . 0 0 "[ . 1 . 2]" 1
528 1 28 MET HA 1 29 GLU H 3.400 . 4.900 3.530 3.432 3.565 . 0 0 "[ . 1 . 2]" 1
529 1 28 MET HA 1 30 SER H 3.700 . 5.400 4.659 3.983 5.113 . 0 0 "[ . 1 . 2]" 1
530 1 28 MET HA 1 31 ALA H 3.100 . 4.300 3.682 3.266 4.308 0.008 13 0 "[ . 1 . 2]" 1
531 1 28 MET HA 1 31 ALA MB 2.500 . 3.300 2.843 2.422 3.435 0.135 13 0 "[ . 1 . 2]" 1
532 1 28 MET HA 1 32 MET H 3.500 . 5.000 3.557 3.009 3.788 . 0 0 "[ . 1 . 2]" 1
533 1 28 MET ME 1 103 ILE HA 2.400 . 3.100 2.922 2.418 3.138 0.038 3 0 "[ . 1 . 2]" 1
534 1 28 MET ME 1 107 TRP H 3.400 . 4.900 3.223 2.406 4.532 . 0 0 "[ . 1 . 2]" 1
535 1 29 GLU H 1 29 GLU HA 2.600 . 3.400 2.823 2.786 2.894 . 0 0 "[ . 1 . 2]" 1
536 1 29 GLU H 1 29 GLU HB2 2.800 . 3.800 2.254 2.035 2.981 . 0 0 "[ . 1 . 2]" 1
537 1 29 GLU H 1 29 GLU HB3 2.500 . 3.300 3.318 2.127 3.623 0.323 3 0 "[ . 1 . 2]" 1
538 1 29 GLU H 1 29 GLU QG 2.800 . 3.700 3.209 2.244 3.950 0.250 1 0 "[ . 1 . 2]" 1
539 1 29 GLU H 1 30 SER H 3.000 . 4.100 2.704 2.533 2.849 . 0 0 "[ . 1 . 2]" 1
540 1 29 GLU H 1 31 ALA H 2.900 . 3.900 4.040 3.961 4.084 0.184 19 0 "[ . 1 . 2]" 1
541 1 29 GLU HA 1 30 SER H 2.200 . 2.800 3.553 3.421 3.583 0.783 14 20 [*************+****-*] 1
542 1 29 GLU HA 1 31 ALA H 2.500 . 3.300 4.503 4.177 4.810 1.510 13 20 [******-*****+*******] 1
543 1 29 GLU HA 1 32 MET H 3.100 . 4.300 3.927 3.512 4.308 0.008 3 0 "[ . 1 . 2]" 1
544 1 29 GLU HA 1 33 GLU H 2.900 . 4.000 4.022 3.666 4.160 0.160 14 0 "[ . 1 . 2]" 1
545 1 29 GLU HB2 1 30 SER H 2.900 . 4.000 2.941 2.212 3.992 . 0 0 "[ . 1 . 2]" 1
546 1 29 GLU HB3 1 30 SER H 2.500 . 3.300 3.051 2.410 3.856 0.556 19 1 "[ . 1 . +2]" 1
547 1 29 GLU QG 1 30 SER H 3.000 . 4.100 4.165 2.951 4.651 0.551 9 1 "[ . +1 . 2]" 1
548 1 30 SER H 1 30 SER HA 2.300 . 3.000 2.837 2.777 2.915 . 0 0 "[ . 1 . 2]" 1
549 1 30 SER H 1 30 SER QB 2.200 . 2.800 2.600 2.431 2.849 0.049 4 0 "[ . 1 . 2]" 1
550 1 30 SER H 1 31 ALA H 2.600 . 3.500 2.581 2.227 2.765 . 0 0 "[ . 1 . 2]" 1
551 1 30 SER H 1 31 ALA MB 3.200 . 4.500 4.238 3.944 4.467 . 0 0 "[ . 1 . 2]" 1
552 1 30 SER H 1 32 MET H 2.700 . 3.600 4.323 4.084 4.573 0.973 3 19 "[**+*****-********* *]" 1
553 1 30 SER HA 1 31 ALA H 2.900 . 3.900 3.526 3.460 3.557 . 0 0 "[ . 1 . 2]" 1
554 1 30 SER HA 1 33 GLU H 3.000 . 4.100 3.798 3.495 4.168 0.068 7 0 "[ . 1 . 2]" 1
555 1 30 SER HA 1 34 ASP H 3.100 . 4.300 4.133 3.809 4.412 0.112 7 0 "[ . 1 . 2]" 1
556 1 30 SER QB 1 31 ALA H 2.400 . 3.100 2.676 2.512 2.954 . 0 0 "[ . 1 . 2]" 1
557 1 31 ALA H 1 31 ALA HA 2.500 . 3.300 2.852 2.827 2.916 . 0 0 "[ . 1 . 2]" 1
558 1 31 ALA H 1 31 ALA MB 2.300 . 3.000 2.153 2.033 2.250 . 0 0 "[ . 1 . 2]" 1
559 1 31 ALA H 1 32 MET H 2.700 . 3.600 2.648 2.408 2.724 . 0 0 "[ . 1 . 2]" 1
560 1 31 ALA H 1 33 GLU H 3.500 . 5.000 3.918 3.738 4.103 . 0 0 "[ . 1 . 2]" 1
561 1 31 ALA HA 1 31 ALA MB 2.200 . 2.800 1.984 1.831 2.109 . 0 0 "[ . 1 . 2]" 1
562 1 31 ALA HA 1 32 MET H 3.000 . 4.100 3.563 3.546 3.578 . 0 0 "[ . 1 . 2]" 1
563 1 31 ALA HA 1 33 GLU H 3.800 . 5.600 4.308 4.082 4.532 . 0 0 "[ . 1 . 2]" 1
564 1 31 ALA HA 1 34 ASP H 3.000 . 4.100 3.522 3.358 3.732 . 0 0 "[ . 1 . 2]" 1
565 1 31 ALA HA 1 34 ASP HB2 2.900 . 4.000 3.653 3.241 4.110 0.110 3 0 "[ . 1 . 2]" 1
566 1 31 ALA HA 1 34 ASP HB3 2.800 . 3.800 3.111 2.563 3.688 . 0 0 "[ . 1 . 2]" 1
567 1 31 ALA MB 1 32 MET H 2.600 . 3.500 2.448 2.293 2.583 . 0 0 "[ . 1 . 2]" 1
568 1 31 ALA MB 1 34 ASP H 3.200 . 4.500 4.605 4.541 4.684 0.184 3 0 "[ . 1 . 2]" 1
569 1 31 ALA MB 1 57 PHE QD 2.900 . 3.900 3.620 3.134 4.050 0.150 13 0 "[ . 1 . 2]" 1
570 1 31 ALA MB 1 57 PHE QE 2.500 . 3.300 1.934 1.683 2.184 0.017 10 0 "[ . 1 . 2]" 1
571 1 31 ALA MB 1 57 PHE HZ 2.500 . 3.300 2.823 1.973 3.462 0.162 19 0 "[ . 1 . 2]" 1
572 1 32 MET H 1 32 MET HA 2.800 . 3.800 2.816 2.779 2.840 . 0 0 "[ . 1 . 2]" 1
573 1 32 MET H 1 32 MET HB2 2.700 . 3.600 2.262 2.092 2.710 . 0 0 "[ . 1 . 2]" 1
574 1 32 MET H 1 32 MET HB3 3.100 . 4.300 2.841 2.302 3.063 . 0 0 "[ . 1 . 2]" 1
575 1 32 MET H 1 32 MET QG 2.800 . 3.800 3.844 3.688 3.954 0.154 16 0 "[ . 1 . 2]" 1
576 1 32 MET H 1 33 GLU H 2.800 . 3.800 2.626 2.509 2.797 . 0 0 "[ . 1 . 2]" 1
577 1 32 MET H 1 33 GLU H 2.700 . 3.600 2.586 2.482 2.738 . 0 0 "[ . 1 . 2]" 1
578 1 32 MET H 1 110 VAL QG 3.200 . 4.500 3.286 2.863 3.705 . 0 0 "[ . 1 . 2]" 1
579 1 32 MET HA 1 33 GLU H 3.300 . 4.600 3.497 3.441 3.541 . 0 0 "[ . 1 . 2]" 1
580 1 32 MET HA 1 35 LEU H 3.400 . 4.800 3.424 3.120 3.877 . 0 0 "[ . 1 . 2]" 1
581 1 32 MET HA 1 35 LEU MD2 2.900 . 4.000 3.001 2.191 3.826 . 0 0 "[ . 1 . 2]" 1
582 1 32 MET HA 1 36 GLN HE21 3.700 . 5.400 4.344 3.566 5.029 . 0 0 "[ . 1 . 2]" 1
583 1 32 MET HA 1 36 GLN HE22 3.700 . 5.400 4.666 4.336 5.175 . 0 0 "[ . 1 . 2]" 1
584 1 32 MET HB3 1 33 GLU H 3.100 . 4.300 2.808 2.525 3.036 . 0 0 "[ . 1 . 2]" 1
585 1 32 MET ME 1 110 VAL H 2.600 . 3.400 3.359 2.900 3.530 0.130 17 0 "[ . 1 . 2]" 1
586 1 32 MET QG 1 33 GLU H 3.100 . 4.300 4.190 3.399 4.357 0.057 14 0 "[ . 1 . 2]" 1
587 1 32 MET QG 1 110 VAL H 3.600 . 5.200 4.016 3.204 5.115 . 0 0 "[ . 1 . 2]" 1
588 1 33 GLU H 1 33 GLU HA 2.500 . 3.300 2.836 2.792 2.892 . 0 0 "[ . 1 . 2]" 1
589 1 33 GLU H 1 33 GLU HB2 2.500 . 3.300 2.368 2.059 2.999 . 0 0 "[ . 1 . 2]" 1
590 1 33 GLU H 1 33 GLU HB3 2.200 . 2.800 2.930 2.140 3.514 0.714 10 7 "[* * . *- + . **2]" 1
591 1 33 GLU H 1 33 GLU QG 2.800 . 3.800 3.554 2.721 3.991 0.191 13 0 "[ . 1 . 2]" 1
592 1 33 GLU H 1 34 ASP H 2.500 . 3.300 2.567 2.336 2.754 . 0 0 "[ . 1 . 2]" 1
593 1 33 GLU H 1 35 LEU H 2.800 . 3.800 3.888 3.825 3.926 0.126 14 0 "[ . 1 . 2]" 1
594 1 33 GLU HA 1 34 ASP H 3.000 . 4.100 3.540 3.487 3.560 . 0 0 "[ . 1 . 2]" 1
595 1 33 GLU HA 1 36 GLN H 3.200 . 4.500 3.546 3.169 4.099 . 0 0 "[ . 1 . 2]" 1
596 1 33 GLU HA 1 36 GLN HE21 3.300 . 4.700 3.516 2.522 4.734 0.034 4 0 "[ . 1 . 2]" 1
597 1 33 GLU HA 1 36 GLN HE22 3.200 . 4.500 4.380 3.768 4.657 0.157 15 0 "[ . 1 . 2]" 1
598 1 33 GLU HB2 1 34 ASP H 2.900 . 3.900 3.407 2.711 4.029 0.129 6 0 "[ . 1 . 2]" 1
599 1 33 GLU HB3 1 34 ASP H 2.400 . 3.100 2.891 2.415 3.641 0.541 18 1 "[ . 1 . + 2]" 1
600 1 33 GLU QG 1 34 ASP H 3.500 . 5.000 3.976 2.836 4.586 . 0 0 "[ . 1 . 2]" 1
601 1 34 ASP H 1 34 ASP HA 2.400 . 3.100 2.847 2.805 2.882 . 0 0 "[ . 1 . 2]" 1
602 1 34 ASP H 1 34 ASP HB2 2.500 . 3.300 2.455 2.179 2.654 . 0 0 "[ . 1 . 2]" 1
603 1 34 ASP H 1 34 ASP HB3 2.600 . 3.500 2.670 2.476 3.079 . 0 0 "[ . 1 . 2]" 1
604 1 34 ASP H 1 35 LEU H 2.600 . 3.500 2.520 2.381 2.693 . 0 0 "[ . 1 . 2]" 1
605 1 34 ASP H 1 36 GLN H 3.600 . 5.200 4.026 3.833 4.311 . 0 0 "[ . 1 . 2]" 1
606 1 34 ASP HA 1 35 LEU H 3.000 . 4.200 3.500 3.447 3.528 . 0 0 "[ . 1 . 2]" 1
607 1 34 ASP HA 1 36 GLN H 2.600 . 3.500 4.187 3.894 4.355 0.855 18 18 "[*** -************+*2]" 1
608 1 34 ASP HA 1 37 ASP H 2.600 . 3.400 3.453 3.121 3.557 0.157 14 0 "[ . 1 . 2]" 1
609 1 34 ASP HA 1 37 ASP HB2 2.700 . 3.600 3.210 2.214 3.800 0.200 10 0 "[ . 1 . 2]" 1
610 1 34 ASP HA 1 37 ASP HB3 3.100 . 4.300 3.264 2.221 3.806 . 0 0 "[ . 1 . 2]" 1
611 1 34 ASP HB2 1 35 LEU H 3.100 . 4.300 3.791 3.437 3.961 . 0 0 "[ . 1 . 2]" 1
612 1 34 ASP HB3 1 35 LEU H 3.000 . 4.100 2.718 2.472 3.079 . 0 0 "[ . 1 . 2]" 1
613 1 35 LEU H 1 35 LEU HA 3.000 . 4.100 2.842 2.790 2.874 . 0 0 "[ . 1 . 2]" 1
614 1 35 LEU H 1 35 LEU HB2 3.000 . 4.100 2.107 2.061 2.180 . 0 0 "[ . 1 . 2]" 1
615 1 35 LEU H 1 35 LEU HB3 2.700 . 3.600 3.396 3.328 3.483 . 0 0 "[ . 1 . 2]" 1
616 1 35 LEU H 1 35 LEU MD1 2.900 . 4.000 2.471 2.156 2.668 . 0 0 "[ . 1 . 2]" 1
617 1 35 LEU H 1 35 LEU MD2 3.000 . 4.100 3.778 3.338 4.124 0.024 2 0 "[ . 1 . 2]" 1
618 1 35 LEU H 1 35 LEU HG 3.100 . 4.300 4.304 4.146 4.447 0.147 11 0 "[ . 1 . 2]" 1
619 1 35 LEU H 1 36 GLN H 2.900 . 4.000 2.554 2.430 2.774 . 0 0 "[ . 1 . 2]" 1
620 1 35 LEU H 1 36 GLN H 2.700 . 3.600 2.553 2.430 2.772 . 0 0 "[ . 1 . 2]" 1
621 1 35 LEU H 1 37 ASP H 2.900 . 3.900 4.004 3.822 4.143 0.243 20 0 "[ . 1 . 2]" 1
622 1 35 LEU H 1 37 ASP H 2.700 . 3.600 3.761 3.631 3.850 0.250 20 0 "[ . 1 . 2]" 1
623 1 35 LEU HA 1 35 LEU MD1 2.300 . 3.000 2.177 1.851 2.489 . 0 0 "[ . 1 . 2]" 1
624 1 35 LEU HA 1 35 LEU MD2 2.800 . 3.800 3.770 3.729 3.816 0.016 15 0 "[ . 1 . 2]" 1
625 1 35 LEU HA 1 36 GLN H 3.500 . 5.000 3.479 3.398 3.541 . 0 0 "[ . 1 . 2]" 1
626 1 35 LEU HB2 1 36 GLN H 3.300 . 4.700 3.155 3.001 3.348 . 0 0 "[ . 1 . 2]" 1
627 1 35 LEU HB3 1 36 GLN H 3.600 . 5.200 3.378 3.052 3.654 . 0 0 "[ . 1 . 2]" 1
628 1 35 LEU MD1 1 36 GLN H 3.100 . 4.300 4.302 4.112 4.397 0.097 4 0 "[ . 1 . 2]" 1
629 1 35 LEU MD1 1 54 HIS HE1 2.400 . 3.100 2.503 1.696 3.318 0.218 2 0 "[ . 1 . 2]" 1
630 1 35 LEU MD1 1 57 PHE QD 2.800 . 3.800 3.742 3.378 3.919 0.119 20 0 "[ . 1 . 2]" 1
631 1 35 LEU MD1 1 57 PHE QE 2.800 . 3.800 3.316 2.964 3.768 . 0 0 "[ . 1 . 2]" 1
632 1 35 LEU MD2 1 35 LEU HG 2.400 . 3.100 2.106 2.083 2.124 . 0 0 "[ . 1 . 2]" 1
633 1 35 LEU MD2 1 36 GLN H 3.300 . 4.700 4.841 4.614 5.073 0.373 20 0 "[ . 1 . 2]" 1
634 1 35 LEU MD2 1 54 HIS HE1 2.800 . 3.800 2.747 1.868 3.687 . 0 0 "[ . 1 . 2]" 1
635 1 35 LEU MD2 1 57 PHE QD 2.800 . 3.800 3.826 3.435 4.025 0.225 11 0 "[ . 1 . 2]" 1
636 1 35 LEU MD2 1 57 PHE QE 2.600 . 3.400 2.315 2.021 2.638 . 0 0 "[ . 1 . 2]" 1
637 1 35 LEU MD2 1 57 PHE HZ 2.600 . 3.400 1.973 1.763 2.324 0.037 4 0 "[ . 1 . 2]" 1
638 1 35 LEU MD2 1 110 VAL HA 2.800 . 3.800 3.047 2.412 3.581 . 0 0 "[ . 1 . 2]" 1
639 1 35 LEU MD2 1 113 LEU H 2.900 . 3.900 3.784 3.376 4.032 0.132 11 0 "[ . 1 . 2]" 1
640 1 35 LEU MD2 1 114 VAL H 3.300 . 4.700 3.349 2.641 3.769 . 0 0 "[ . 1 . 2]" 1
641 1 35 LEU HG 1 36 GLN H 3.400 . 4.900 5.204 4.997 5.398 0.498 11 0 "[ . 1 . 2]" 1
642 1 35 LEU HG 1 54 HIS HE1 2.500 . 3.300 2.361 1.775 2.685 . 0 0 "[ . 1 . 2]" 1
643 1 35 LEU HG 1 57 PHE QD 2.600 . 3.400 2.693 2.272 3.041 . 0 0 "[ . 1 . 2]" 1
644 1 35 LEU HG 1 57 PHE QE 2.500 . 3.300 1.948 1.695 2.221 0.005 14 0 "[ . 1 . 2]" 1
645 1 35 LEU HG 1 110 VAL QG 2.500 . 3.300 4.833 4.259 5.375 2.075 7 20 [******+****-********] 1
646 1 36 GLN H 1 36 GLN HA 2.600 . 3.400 2.884 2.837 2.932 . 0 0 "[ . 1 . 2]" 1
647 1 36 GLN H 1 36 GLN HB2 2.600 . 3.400 2.535 2.093 3.661 0.261 11 0 "[ . 1 . 2]" 1
648 1 36 GLN H 1 36 GLN HB3 2.700 . 3.600 3.052 2.840 3.236 . 0 0 "[ . 1 . 2]" 1
649 1 36 GLN H 1 36 GLN QG 2.800 . 3.800 3.322 1.760 3.979 0.179 15 0 "[ . 1 . 2]" 1
650 1 36 GLN H 1 37 ASP H 2.200 . 2.800 2.364 2.113 2.582 . 0 0 "[ . 1 . 2]" 1
651 1 36 GLN HA 1 36 GLN HE21 3.400 . 4.900 3.922 3.539 4.402 . 0 0 "[ . 1 . 2]" 1
652 1 36 GLN HA 1 36 GLN HE22 3.500 . 5.000 5.159 4.651 5.317 0.317 18 0 "[ . 1 . 2]" 1
653 1 36 GLN HA 1 37 ASP H 2.600 . 3.500 3.466 3.320 3.524 0.024 1 0 "[ . 1 . 2]" 1
654 1 36 GLN HB2 1 36 GLN HE21 2.600 . 3.400 2.112 1.621 3.302 0.179 6 0 "[ . 1 . 2]" 1
655 1 36 GLN HB2 1 36 GLN HE22 2.700 . 3.600 3.445 3.104 4.402 0.802 3 5 "[ +*. *1* . - 2]" 1
656 1 36 GLN HB2 1 37 ASP H 3.100 . 4.300 3.561 3.100 4.091 . 0 0 "[ . 1 . 2]" 1
657 1 36 GLN HB3 1 36 GLN HE21 2.800 . 3.800 2.607 1.643 3.243 0.157 9 0 "[ . 1 . 2]" 1
658 1 36 GLN HB3 1 36 GLN HE22 2.900 . 3.900 3.990 3.068 4.506 0.606 15 1 "[ . 1 + 2]" 1
659 1 36 GLN HB3 1 37 ASP H 3.200 . 4.400 3.273 2.647 4.399 . 0 0 "[ . 1 . 2]" 1
660 1 36 GLN HE21 1 36 GLN QG 2.800 . 3.800 2.738 2.642 2.850 . 0 0 "[ . 1 . 2]" 1
661 1 36 GLN HE21 1 113 LEU QD 3.100 . 4.300 2.865 1.864 4.037 0.036 18 0 "[ . 1 . 2]" 1
662 1 36 GLN HE22 1 113 LEU QD 2.900 . 4.000 2.900 1.925 3.885 . 0 0 "[ . 1 . 2]" 1
663 1 36 GLN QG 1 37 ASP H 3.100 . 4.300 3.948 2.661 4.407 0.107 12 0 "[ . 1 . 2]" 1
664 1 37 ASP H 1 37 ASP HA 2.700 . 3.600 2.860 2.803 2.913 . 0 0 "[ . 1 . 2]" 1
665 1 37 ASP H 1 37 ASP HB2 2.500 . 3.300 2.308 2.138 2.561 . 0 0 "[ . 1 . 2]" 1
666 1 37 ASP H 1 37 ASP HB3 2.600 . 3.400 2.882 2.484 3.160 . 0 0 "[ . 1 . 2]" 1
667 1 37 ASP H 1 38 MET H 3.400 . 4.800 4.572 4.492 4.611 . 0 0 "[ . 1 . 2]" 1
668 1 37 ASP H 1 117 ARG QH 3.700 . 5.400 4.005 3.077 5.161 . 0 0 "[ . 1 . 2]" 1
669 1 37 ASP HA 1 38 MET H 2.200 . 2.800 2.320 2.139 2.596 . 0 0 "[ . 1 . 2]" 1
670 1 37 ASP HB2 1 38 MET H 3.000 . 4.200 4.047 3.715 4.318 0.118 11 0 "[ . 1 . 2]" 1
671 1 37 ASP HB3 1 38 MET H 3.000 . 4.200 3.343 2.588 4.161 . 0 0 "[ . 1 . 2]" 1
672 1 38 MET H 1 38 MET HA 2.800 . 3.700 2.900 2.844 2.946 . 0 0 "[ . 1 . 2]" 1
673 1 38 MET H 1 38 MET QB 2.300 . 3.000 2.300 2.087 2.772 . 0 0 "[ . 1 . 2]" 1
674 1 38 MET H 1 38 MET QG 3.100 . 4.300 3.680 2.296 4.303 0.003 14 0 "[ . 1 . 2]" 1
675 1 38 MET H 1 39 PHE H 3.200 . 4.500 4.363 4.086 4.555 0.055 6 0 "[ . 1 . 2]" 1
676 1 38 MET H 1 39 PHE H 2.800 . 3.800 3.929 3.812 4.016 0.216 13 0 "[ . 1 . 2]" 1
677 1 38 MET HA 1 39 PHE H 2.400 . 3.100 2.166 2.067 2.444 . 0 0 "[ . 1 . 2]" 1
678 1 38 MET HA 1 39 PHE QD 2.900 . 3.900 3.362 2.978 3.696 . 0 0 "[ . 1 . 2]" 1
679 1 38 MET HA 1 40 ILE H 3.300 . 4.600 6.015 5.759 6.124 1.524 9 20 [********+*****-*****] 1
680 1 38 MET QB 1 39 PHE H 2.700 . 3.600 3.500 2.475 3.821 0.221 11 0 "[ . 1 . 2]" 1
681 1 38 MET QG 1 39 PHE H 3.200 . 4.500 3.522 2.055 4.647 0.147 5 0 "[ . 1 . 2]" 1
682 1 39 PHE H 1 39 PHE HA 2.900 . 4.000 2.869 2.798 2.942 . 0 0 "[ . 1 . 2]" 1
683 1 39 PHE H 1 39 PHE QB 2.900 . 4.000 2.687 2.395 3.077 . 0 0 "[ . 1 . 2]" 1
684 1 39 PHE H 1 39 PHE QD 2.900 . 3.900 2.074 1.791 2.571 0.109 19 0 "[ . 1 . 2]" 1
685 1 39 PHE H 1 40 ILE H 3.500 . 5.000 4.485 4.233 4.585 . 0 0 "[ . 1 . 2]" 1
686 1 39 PHE H 1 40 ILE MD 3.600 . 5.200 5.583 4.181 6.000 0.800 2 9 "[ +*** * *1 * . - *]" 1
687 1 39 PHE HA 1 39 PHE QD 2.600 . 3.400 3.726 3.699 3.741 0.341 1 0 "[ . 1 . 2]" 1
688 1 39 PHE HA 1 40 ILE H 2.400 . 3.100 2.165 2.119 2.221 . 0 0 "[ . 1 . 2]" 1
689 1 39 PHE HA 1 50 LEU QD 3.500 . 5.000 3.941 3.466 4.603 . 0 0 "[ . 1 . 2]" 1
690 1 39 PHE QB 1 39 PHE QD 2.400 . 3.100 2.127 2.123 2.132 . 0 0 "[ . 1 . 2]" 1
691 1 39 PHE QB 1 40 ILE H 3.000 . 4.100 3.098 2.804 3.449 . 0 0 "[ . 1 . 2]" 1
692 1 39 PHE QB 1 50 LEU QD 2.500 . 3.300 2.169 1.889 2.870 . 0 0 "[ . 1 . 2]" 1
693 1 39 PHE QB 1 50 LEU QD 3.300 . 3.800 2.161 1.888 2.858 0.012 10 0 "[ . 1 . 2]" 1
694 1 39 PHE QB 1 121 LEU QD 3.100 . 3.600 3.698 3.410 3.870 0.270 11 0 "[ . 1 . 2]" 1
695 1 39 PHE QD 1 40 ILE H 3.300 . 4.600 4.248 3.950 4.711 0.111 15 0 "[ . 1 . 2]" 1
696 1 39 PHE QD 1 40 ILE HA 3.300 . 4.600 4.142 3.796 4.589 . 0 0 "[ . 1 . 2]" 1
697 1 39 PHE QD 1 41 VAL QG 2.200 . 2.800 2.036 1.762 2.246 . 0 0 "[ . 1 . 2]" 1
698 1 39 PHE QD 1 50 LEU QD 3.100 . 3.100 2.567 2.159 2.985 . 0 0 "[ . 1 . 2]" 1
699 1 39 PHE QD 1 124 GLU QG 3.100 . 4.300 4.236 3.693 4.544 0.244 2 0 "[ . 1 . 2]" 1
700 1 39 PHE QE 1 41 VAL QG 2.600 . 3.400 2.698 2.223 3.292 . 0 0 "[ . 1 . 2]" 1
701 1 39 PHE QE 1 50 LEU QD 3.900 . 5.800 3.809 3.230 4.112 . 0 0 "[ . 1 . 2]" 1
702 1 39 PHE QE 1 120 ALA MB 2.600 . 3.400 2.017 1.788 2.456 0.012 3 0 "[ . 1 . 2]" 1
703 1 39 PHE QE 1 121 LEU QD 2.700 . 3.600 2.801 2.474 2.895 . 0 0 "[ . 1 . 2]" 1
704 1 39 PHE QE 1 124 GLU HB2 2.800 . 3.800 3.006 2.350 3.838 0.038 16 0 "[ . 1 . 2]" 1
705 1 39 PHE QE 1 124 GLU HB3 3.300 . 4.600 2.834 2.435 3.177 . 0 0 "[ . 1 . 2]" 1
706 1 39 PHE QE 1 124 GLU QG 2.900 . 3.900 2.790 2.219 3.221 . 0 0 "[ . 1 . 2]" 1
707 1 39 PHE HZ 1 120 ALA MB 2.500 . 3.300 2.739 2.279 3.313 0.013 4 0 "[ . 1 . 2]" 1
708 1 39 PHE HZ 1 121 LEU HA 2.800 . 3.800 2.184 1.867 2.700 . 0 0 "[ . 1 . 2]" 1
709 1 39 PHE HZ 1 121 LEU QD 2.300 . 3.000 3.026 2.904 3.097 0.097 16 0 "[ . 1 . 2]" 1
710 1 39 PHE HZ 1 124 GLU HB2 3.000 . 4.100 2.805 2.253 4.211 0.111 2 0 "[ . 1 . 2]" 1
711 1 39 PHE HZ 1 124 GLU HB3 3.000 . 4.100 3.683 2.881 4.264 0.164 15 0 "[ . 1 . 2]" 1
712 1 40 ILE H 1 40 ILE HA 2.800 . 3.800 2.930 2.898 2.942 . 0 0 "[ . 1 . 2]" 1
713 1 40 ILE H 1 40 ILE HB 2.700 . 3.600 2.701 2.232 2.934 . 0 0 "[ . 1 . 2]" 1
714 1 40 ILE H 1 40 ILE MD 3.000 . 4.100 4.039 3.279 4.180 0.080 15 0 "[ . 1 . 2]" 1
715 1 40 ILE H 1 40 ILE QG 3.300 . 4.600 4.107 3.024 4.262 . 0 0 "[ . 1 . 2]" 1
716 1 40 ILE H 1 40 ILE MG 2.900 . 3.900 2.605 2.267 3.595 . 0 0 "[ . 1 . 2]" 1
717 1 40 ILE H 1 41 VAL H 2.300 . 3.000 4.424 4.336 4.512 1.512 6 20 [*****+*-************] 1
718 1 40 ILE HA 1 40 ILE MG 2.400 . 3.100 3.133 2.729 3.192 0.092 3 0 "[ . 1 . 2]" 1
719 1 40 ILE HA 1 41 VAL H 2.200 . 2.800 2.153 2.077 2.208 . 0 0 "[ . 1 . 2]" 1
720 1 40 ILE HB 1 40 ILE MD 2.300 . 3.000 2.384 2.083 3.187 0.187 15 0 "[ . 1 . 2]" 1
721 1 40 ILE HB 1 40 ILE MG 2.300 . 2.900 2.108 2.079 2.122 . 0 0 "[ . 1 . 2]" 1
722 1 40 ILE HB 1 41 VAL H 3.000 . 4.100 4.302 4.237 4.363 0.263 19 0 "[ . 1 . 2]" 1
723 1 40 ILE MD 1 41 VAL H 2.600 . 3.400 3.024 2.529 3.432 0.032 14 0 "[ . 1 . 2]" 1
724 1 40 ILE QG 1 40 ILE MG 2.400 . 3.100 2.083 1.982 2.466 . 0 0 "[ . 1 . 2]" 1
725 1 40 ILE QG 1 41 VAL H 3.500 . 4.100 2.724 2.349 4.185 0.085 15 0 "[ . 1 . 2]" 1
726 1 40 ILE MG 1 41 VAL H 2.600 . 3.500 3.508 2.755 3.715 0.215 20 0 "[ . 1 . 2]" 1
727 1 40 ILE MG 1 42 HIS HE1 2.700 . 3.600 3.312 2.562 3.703 0.103 11 0 "[ . 1 . 2]" 1
728 1 41 VAL H 1 41 VAL HA 3.000 . 4.100 2.940 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
729 1 41 VAL H 1 41 VAL HB 2.700 . 3.600 3.820 3.673 3.856 0.256 18 0 "[ . 1 . 2]" 1
730 1 41 VAL H 1 41 VAL QG 2.500 . 3.300 2.137 1.938 2.327 . 0 0 "[ . 1 . 2]" 1
731 1 41 VAL HA 1 42 HIS H 2.900 . 3.900 2.275 2.133 2.391 . 0 0 "[ . 1 . 2]" 1
732 1 41 VAL HA 1 43 THR H 3.300 . 4.700 4.131 3.301 4.618 . 0 0 "[ . 1 . 2]" 1
733 1 41 VAL HB 1 42 HIS H 3.600 . 5.200 2.803 2.449 3.919 . 0 0 "[ . 1 . 2]" 1
734 1 41 VAL HB 1 43 THR H 2.900 . 3.900 3.663 3.211 4.042 0.142 8 0 "[ . 1 . 2]" 1
735 1 41 VAL HB 1 50 LEU QD 2.800 . 3.800 3.851 3.685 3.986 0.186 19 0 "[ . 1 . 2]" 1
736 1 41 VAL HB 1 128 GLN HE21 3.600 . 5.200 4.618 2.217 5.422 0.222 14 0 "[ . 1 . 2]" 1
737 1 41 VAL HB 1 128 GLN HE22 3.500 . 5.000 4.501 2.878 5.024 0.024 1 0 "[ . 1 . 2]" 1
738 1 41 VAL QG 1 42 HIS H 3.000 . 4.100 3.293 3.070 3.671 . 0 0 "[ . 1 . 2]" 1
739 1 41 VAL QG 1 43 THR H 3.000 . 4.100 4.045 3.827 4.193 0.093 7 0 "[ . 1 . 2]" 1
740 1 41 VAL QG 1 46 GLU H 3.300 . 4.700 4.666 4.375 4.846 0.146 2 0 "[ . 1 . 2]" 1
741 1 41 VAL QG 1 47 ILE H 2.900 . 3.900 3.505 3.203 3.755 . 0 0 "[ . 1 . 2]" 1
742 1 41 VAL QG 1 50 LEU QD 2.400 . 3.100 1.798 1.494 1.999 0.206 8 0 "[ . 1 . 2]" 1
743 1 41 VAL QG 1 128 GLN HE21 2.800 . 3.700 2.730 2.202 3.592 . 0 0 "[ . 1 . 2]" 1
744 1 41 VAL QG 1 128 GLN HE22 2.900 . 4.000 2.981 1.943 4.043 0.043 13 0 "[ . 1 . 2]" 1
745 1 42 HIS H 1 42 HIS HB2 3.600 . 5.200 2.688 2.276 2.860 . 0 0 "[ . 1 . 2]" 1
746 1 42 HIS H 1 42 HIS HB3 3.600 . 5.200 3.749 3.550 3.830 . 0 0 "[ . 1 . 2]" 1
747 1 42 HIS H 1 43 THR H 3.100 . 4.300 2.092 1.859 2.405 0.041 13 0 "[ . 1 . 2]" 1
748 1 42 HIS HA 1 42 HIS HD2 2.600 . 3.500 3.398 2.532 3.733 0.233 11 0 "[ . 1 . 2]" 1
749 1 42 HIS HA 1 43 THR H 2.700 . 3.600 3.524 3.427 3.560 . 0 0 "[ . 1 . 2]" 1
750 1 42 HIS HA 1 128 GLN HE22 3.500 . 5.100 4.433 3.464 5.241 0.141 12 0 "[ . 1 . 2]" 1
751 1 42 HIS HB2 1 42 HIS HD2 2.800 . 3.800 3.843 3.082 3.957 0.157 19 0 "[ . 1 . 2]" 1
752 1 42 HIS HB2 1 43 THR H 3.200 . 4.500 2.484 2.014 3.111 . 0 0 "[ . 1 . 2]" 1
753 1 42 HIS HB2 1 43 THR MG 2.700 . 3.600 3.350 2.705 3.852 0.252 19 0 "[ . 1 . 2]" 1
754 1 42 HIS HB3 1 42 HIS HD2 2.500 . 3.300 2.879 2.741 3.946 0.646 11 1 "[ . 1+ . 2]" 1
755 1 42 HIS HB3 1 43 THR H 3.400 . 4.800 3.668 3.218 3.931 . 0 0 "[ . 1 . 2]" 1
756 1 42 HIS HB3 1 43 THR MG 2.800 . 3.800 3.640 2.846 3.881 0.081 2 0 "[ . 1 . 2]" 1
757 1 43 THR H 1 43 THR HA 3.000 . 4.100 2.943 2.922 2.954 . 0 0 "[ . 1 . 2]" 1
758 1 43 THR H 1 43 THR HB 3.500 . 5.000 3.592 3.386 3.768 . 0 0 "[ . 1 . 2]" 1
759 1 43 THR H 1 43 THR MG 2.900 . 3.900 3.224 2.592 3.503 . 0 0 "[ . 1 . 2]" 1
760 1 43 THR H 1 46 GLU HG2 3.200 . 4.500 4.270 3.129 4.606 0.106 7 0 "[ . 1 . 2]" 1
761 1 43 THR H 1 46 GLU HG3 3.000 . 4.100 3.155 1.919 3.749 . 0 0 "[ . 1 . 2]" 1
762 1 43 THR HA 1 43 THR MG 2.200 . 2.800 2.184 1.972 2.402 . 0 0 "[ . 1 . 2]" 1
763 1 43 THR HA 1 44 ILE H 2.500 . 3.300 2.436 2.233 2.544 . 0 0 "[ . 1 . 2]" 1
764 1 43 THR HA 1 45 GLU H 2.800 . 3.800 4.235 4.006 4.490 0.690 1 5 "[+ *.- 1 **. 2]" 1
765 1 43 THR HA 1 46 GLU H 3.600 . 5.200 4.877 4.549 5.097 . 0 0 "[ . 1 . 2]" 1
766 1 43 THR HB 1 44 ILE H 2.700 . 3.600 2.428 2.129 3.106 . 0 0 "[ . 1 . 2]" 1
767 1 43 THR HB 1 45 GLU H 2.500 . 3.300 2.448 2.207 2.832 . 0 0 "[ . 1 . 2]" 1
768 1 43 THR HB 1 46 GLU H 3.400 . 4.800 3.602 2.950 4.143 . 0 0 "[ . 1 . 2]" 1
769 1 43 THR MG 1 44 ILE H 3.000 . 4.100 3.206 2.778 3.659 . 0 0 "[ . 1 . 2]" 1
770 1 43 THR MG 1 45 GLU H 3.000 . 4.200 4.006 3.741 4.239 0.039 13 0 "[ . 1 . 2]" 1
771 1 43 THR MG 1 46 GLU H 3.300 . 4.700 4.726 4.500 4.900 0.200 17 0 "[ . 1 . 2]" 1
772 1 44 ILE H 1 44 ILE HA 2.800 . 3.800 2.829 2.746 2.870 . 0 0 "[ . 1 . 2]" 1
773 1 44 ILE H 1 44 ILE HB 2.800 . 3.800 3.087 2.194 3.597 . 0 0 "[ . 1 . 2]" 1
774 1 44 ILE H 1 44 ILE MD 3.000 . 4.100 4.275 3.972 4.401 0.301 9 0 "[ . 1 . 2]" 1
775 1 44 ILE H 1 44 ILE HG12 3.000 . 4.100 3.866 3.140 4.661 0.561 13 2 "[ -. 1 + . 2]" 1
776 1 44 ILE H 1 44 ILE HG13 3.300 . 4.700 3.870 3.094 4.700 0.000 7 0 "[ . 1 . 2]" 1
777 1 44 ILE H 1 44 ILE MG 2.600 . 3.400 1.852 1.677 2.653 0.123 15 0 "[ . 1 . 2]" 1
778 1 44 ILE H 1 45 GLU H 2.500 . 3.300 2.551 2.373 2.853 . 0 0 "[ . 1 . 2]" 1
779 1 44 ILE H 1 46 GLU H 3.200 . 4.500 4.356 4.088 4.564 0.064 2 0 "[ . 1 . 2]" 1
780 1 44 ILE HA 1 45 GLU H 2.900 . 4.000 3.474 3.412 3.536 . 0 0 "[ . 1 . 2]" 1
781 1 44 ILE HA 1 46 GLU H 3.300 . 4.700 4.185 3.961 4.447 . 0 0 "[ . 1 . 2]" 1
782 1 44 ILE HA 1 47 ILE H 2.900 . 4.000 3.145 2.822 3.611 . 0 0 "[ . 1 . 2]" 1
783 1 44 ILE HA 1 48 GLU H 2.500 . 3.300 4.142 3.865 4.554 1.254 19 20 [*****-************+*] 1
784 1 44 ILE HA 1 129 GLN H 3.500 . 5.000 4.817 4.224 5.248 0.248 20 0 "[ . 1 . 2]" 1
785 1 44 ILE HB 1 45 GLU H 2.600 . 3.500 4.116 3.695 4.359 0.859 3 15 "[ *+**** ** -**** **]" 1
786 1 44 ILE HB 1 129 GLN H 2.700 . 3.600 3.518 2.677 4.027 0.427 3 0 "[ . 1 . 2]" 1
787 1 44 ILE MD 1 45 GLU H 2.900 . 3.900 3.851 3.158 4.223 0.323 13 0 "[ . 1 . 2]" 1
788 1 44 ILE MD 1 48 GLU H 3.100 . 4.300 4.088 3.345 4.369 0.069 12 0 "[ . 1 . 2]" 1
789 1 44 ILE MD 1 129 GLN H 3.500 . 5.000 4.274 2.027 5.026 0.026 2 0 "[ . 1 . 2]" 1
790 1 44 ILE MD 1 129 GLN HE21 3.600 . 5.200 3.500 2.113 4.692 . 0 0 "[ . 1 . 2]" 1
791 1 44 ILE MD 1 129 GLN HE22 3.600 . 5.200 4.125 2.650 5.212 0.012 1 0 "[ . 1 . 2]" 1
792 1 44 ILE HG12 1 45 GLU H 3.400 . 4.900 3.927 3.462 4.813 . 0 0 "[ . 1 . 2]" 1
793 1 44 ILE HG13 1 45 GLU H 3.400 . 4.800 3.546 2.205 5.272 0.472 9 0 "[ . 1 . 2]" 1
794 1 44 ILE HG13 1 129 GLN HE21 3.700 . 5.400 4.930 2.983 6.381 0.981 11 1 "[ . 1+ . 2]" 1
795 1 44 ILE MG 1 45 GLU H 2.500 . 3.300 2.764 1.969 3.519 0.219 19 0 "[ . 1 . 2]" 1
796 1 45 GLU H 1 45 GLU HA 2.500 . 3.300 2.762 2.717 2.801 . 0 0 "[ . 1 . 2]" 1
797 1 45 GLU H 1 45 GLU HB2 2.400 . 3.100 2.478 2.026 3.354 0.254 15 0 "[ . 1 . 2]" 1
798 1 45 GLU H 1 45 GLU HB3 2.500 . 3.300 3.420 3.216 3.528 0.228 4 0 "[ . 1 . 2]" 1
799 1 45 GLU H 1 45 GLU HG2 2.800 . 3.800 3.199 1.705 3.946 0.146 17 0 "[ . 1 . 2]" 1
800 1 45 GLU H 1 45 GLU HG3 2.700 . 3.600 2.957 1.664 3.915 0.315 18 0 "[ . 1 . 2]" 1
801 1 45 GLU H 1 46 GLU H 2.600 . 3.400 2.809 2.659 2.980 . 0 0 "[ . 1 . 2]" 1
802 1 45 GLU H 1 47 ILE H 3.600 . 5.200 4.033 3.741 4.485 . 0 0 "[ . 1 . 2]" 1
803 1 45 GLU HA 1 46 GLU H 2.900 . 4.000 3.546 3.510 3.576 . 0 0 "[ . 1 . 2]" 1
804 1 45 GLU HA 1 47 ILE H 3.400 . 4.900 4.344 3.917 4.680 . 0 0 "[ . 1 . 2]" 1
805 1 45 GLU HA 1 48 GLU H 2.800 . 3.800 3.608 3.352 3.834 0.034 6 0 "[ . 1 . 2]" 1
806 1 45 GLU HA 1 49 GLY H 2.800 . 3.800 4.538 4.053 5.420 1.620 8 14 "[ * ***+ *** *****-]" 1
807 1 46 GLU H 1 46 GLU HA 2.500 . 3.300 2.859 2.812 2.903 . 0 0 "[ . 1 . 2]" 1
808 1 46 GLU H 1 46 GLU HB2 2.600 . 3.400 2.734 2.263 3.646 0.246 19 0 "[ . 1 . 2]" 1
809 1 46 GLU H 1 46 GLU HB3 2.900 . 4.000 3.564 2.860 3.634 . 0 0 "[ . 1 . 2]" 1
810 1 46 GLU H 1 46 GLU HG2 2.600 . 3.400 3.179 1.917 3.583 0.183 13 0 "[ . 1 . 2]" 1
811 1 46 GLU H 1 46 GLU HG3 2.500 . 3.300 2.158 1.644 3.525 0.225 19 0 "[ . 1 . 2]" 1
812 1 46 GLU H 1 47 ILE H 2.700 . 3.600 2.478 2.298 2.784 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU H 1 48 GLU H 3.700 . 5.400 4.040 3.821 4.385 . 0 0 "[ . 1 . 2]" 1
814 1 46 GLU HA 1 47 ILE H 3.100 . 4.300 3.478 3.334 3.550 . 0 0 "[ . 1 . 2]" 1
815 1 46 GLU HA 1 48 GLU H 2.900 . 4.000 4.163 3.962 4.240 0.240 6 0 "[ . 1 . 2]" 1
816 1 46 GLU HA 1 49 GLY H 2.800 . 3.800 3.221 3.027 3.578 . 0 0 "[ . 1 . 2]" 1
817 1 46 GLU HA 1 50 LEU H 2.800 . 3.800 3.853 3.737 3.974 0.174 13 0 "[ . 1 . 2]" 1
818 1 47 ILE H 1 47 ILE HA 2.900 . 4.000 2.822 2.798 2.855 . 0 0 "[ . 1 . 2]" 1
819 1 47 ILE H 1 47 ILE HB 2.700 . 3.600 2.206 2.069 3.584 . 0 0 "[ . 1 . 2]" 1
820 1 47 ILE H 1 47 ILE MD 2.900 . 3.900 3.968 3.361 4.126 0.226 13 0 "[ . 1 . 2]" 1
821 1 47 ILE H 1 47 ILE QG 3.100 . 4.300 3.394 2.574 3.765 . 0 0 "[ . 1 . 2]" 1
822 1 47 ILE H 1 47 ILE MG 2.700 . 3.600 3.178 1.822 3.697 0.097 19 0 "[ . 1 . 2]" 1
823 1 47 ILE H 1 48 GLU H 3.100 . 4.300 2.571 2.482 2.666 . 0 0 "[ . 1 . 2]" 1
824 1 47 ILE H 1 48 GLU H 2.600 . 3.500 2.542 2.465 2.633 . 0 0 "[ . 1 . 2]" 1
825 1 47 ILE H 1 49 GLY H 2.700 . 3.600 3.889 3.827 3.974 0.374 8 0 "[ . 1 . 2]" 1
826 1 47 ILE H 1 50 LEU QD 3.500 . 5.000 4.415 3.491 5.017 0.017 18 0 "[ . 1 . 2]" 1
827 1 47 ILE HA 1 48 GLU H 2.800 . 3.800 3.511 3.439 3.554 . 0 0 "[ . 1 . 2]" 1
828 1 47 ILE HA 1 49 GLY H 2.400 . 3.100 4.121 3.212 4.420 1.320 1 19 "[+******-******** ***]" 1
829 1 47 ILE HA 1 50 LEU H 2.700 . 3.600 3.427 3.116 3.641 0.041 1 0 "[ . 1 . 2]" 1
830 1 47 ILE HA 1 50 LEU QD 3.200 . 3.300 2.882 1.652 3.308 0.248 17 0 "[ . 1 . 2]" 1
831 1 47 ILE HA 1 51 ILE H 3.300 . 4.700 4.120 2.968 4.540 . 0 0 "[ . 1 . 2]" 1
832 1 47 ILE MD 1 125 GLN H 2.900 . 3.900 3.066 2.675 4.097 0.197 17 0 "[ . 1 . 2]" 1
833 1 47 ILE MD 1 125 GLN QE 3.100 . 4.100 3.922 3.031 4.082 . 0 0 "[ . 1 . 2]" 1
834 1 47 ILE QG 1 125 GLN H 3.100 . 4.300 4.056 3.530 4.638 0.338 17 0 "[ . 1 . 2]" 1
835 1 47 ILE MG 1 48 GLU H 2.700 . 3.600 2.517 2.233 3.467 . 0 0 "[ . 1 . 2]" 1
836 1 47 ILE MG 1 125 GLN H 3.100 . 4.300 4.133 3.810 4.321 0.021 8 0 "[ . 1 . 2]" 1
837 1 47 ILE MG 1 125 GLN QE 3.500 . 5.000 3.079 1.975 4.391 0.025 18 0 "[ . 1 . 2]" 1
838 1 48 GLU H 1 48 GLU HA 2.400 . 3.100 2.857 2.806 2.901 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLU H 1 48 GLU HB2 2.600 . 3.500 2.665 2.082 3.614 0.114 6 0 "[ . 1 . 2]" 1
840 1 48 GLU H 1 48 GLU HB3 2.500 . 3.300 3.179 2.097 3.583 0.283 9 0 "[ . 1 . 2]" 1
841 1 48 GLU H 1 48 GLU HG2 2.700 . 3.600 3.089 2.008 3.812 0.212 7 0 "[ . 1 . 2]" 1
842 1 48 GLU H 1 48 GLU HG3 2.700 . 3.600 3.240 1.750 3.834 0.234 3 0 "[ . 1 . 2]" 1
843 1 48 GLU H 1 49 GLY H 2.700 . 3.600 2.466 2.336 2.610 . 0 0 "[ . 1 . 2]" 1
844 1 48 GLU H 1 50 LEU H 2.800 . 3.800 4.032 3.804 4.692 0.892 17 1 "[ . 1 . + 2]" 1
845 1 48 GLU H 1 51 ILE MD 3.500 . 5.000 5.092 4.716 5.200 0.200 6 0 "[ . 1 . 2]" 1
846 1 48 GLU HA 1 49 GLY H 2.200 . 2.800 2.213 2.183 2.326 . 0 0 "[ . 1 . 2]" 1
847 1 48 GLU HA 1 50 LEU H 2.600 . 3.400 2.649 2.535 2.701 . 0 0 "[ . 1 . 2]" 1
848 1 48 GLU HA 1 51 ILE H 2.900 . 4.000 3.265 2.958 3.884 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLU HA 1 52 SER H 2.800 . 3.700 3.102 2.912 3.549 . 0 0 "[ . 1 . 2]" 1
850 1 48 GLU HB2 1 49 GLY H 3.000 . 4.100 3.376 2.767 4.240 0.140 15 0 "[ . 1 . 2]" 1
851 1 48 GLU HB3 1 49 GLY H 2.900 . 4.000 3.700 3.288 4.234 0.234 19 0 "[ . 1 . 2]" 1
852 1 48 GLU HG2 1 49 GLY H 3.600 . 5.200 4.369 2.960 4.991 . 0 0 "[ . 1 . 2]" 1
853 1 49 GLY H 1 50 LEU H 2.700 . 3.600 2.412 1.832 2.598 . 0 0 "[ . 1 . 2]" 1
854 1 49 GLY H 1 51 ILE H 2.800 . 3.800 3.910 3.146 4.043 0.243 2 0 "[ . 1 . 2]" 1
855 1 49 GLY QA 1 53 ALA H 3.300 . 4.700 4.042 3.649 4.391 . 0 0 "[ . 1 . 2]" 1
856 1 50 LEU H 1 50 LEU HA 2.700 . 3.600 2.786 2.733 2.853 . 0 0 "[ . 1 . 2]" 1
857 1 50 LEU H 1 50 LEU HB2 2.800 . 3.800 2.122 2.001 3.676 . 0 0 "[ . 1 . 2]" 1
858 1 50 LEU H 1 50 LEU HB3 2.700 . 3.600 3.166 2.428 3.378 . 0 0 "[ . 1 . 2]" 1
859 1 50 LEU H 1 50 LEU QD 2.800 . 3.800 2.880 1.842 3.583 . 0 0 "[ . 1 . 2]" 1
860 1 50 LEU H 1 50 LEU HG 3.000 . 4.100 4.419 3.827 4.604 0.504 19 1 "[ . 1 . +2]" 1
861 1 50 LEU H 1 51 ILE H 2.700 . 3.600 2.749 2.556 2.946 . 0 0 "[ . 1 . 2]" 1
862 1 50 LEU H 1 52 SER H 3.500 . 5.100 4.142 3.912 4.479 . 0 0 "[ . 1 . 2]" 1
863 1 50 LEU H 1 53 ALA MB 3.300 . 4.700 4.769 4.548 4.877 0.177 7 0 "[ . 1 . 2]" 1
864 1 50 LEU HA 1 50 LEU QD 2.200 . 2.800 1.758 1.583 2.969 0.169 17 0 "[ . 1 . 2]" 1
865 1 50 LEU HA 1 51 ILE H 3.400 . 4.900 3.530 3.269 3.573 . 0 0 "[ . 1 . 2]" 1
866 1 50 LEU HA 1 53 ALA H 2.900 . 3.900 3.549 3.185 3.851 . 0 0 "[ . 1 . 2]" 1
867 1 50 LEU HB2 1 50 LEU QD 3.100 . 3.300 2.160 1.859 2.580 0.041 1 0 "[ . 1 . 2]" 1
868 1 50 LEU HB2 1 51 ILE H 3.000 . 4.100 3.145 2.859 4.191 0.091 17 0 "[ . 1 . 2]" 1
869 1 50 LEU HB3 1 50 LEU QD 2.300 . 2.800 2.467 1.920 2.600 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU HB3 1 51 ILE H 3.500 . 5.000 2.818 2.287 4.505 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU QD 1 51 ILE H 3.200 . 4.500 3.762 1.948 4.022 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU QD 1 53 ALA H 3.400 . 4.800 4.238 3.802 4.640 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU QD 1 53 ALA MB 3.100 . 3.900 2.974 2.379 4.270 0.370 17 0 "[ . 1 . 2]" 1
874 1 50 LEU QD 1 117 ARG HE 3.500 . 5.000 3.777 2.726 5.090 0.090 14 0 "[ . 1 . 2]" 1
875 1 50 LEU HG 1 51 ILE H 3.300 . 4.700 4.915 4.755 4.976 0.276 4 0 "[ . 1 . 2]" 1
876 1 51 ILE H 1 51 ILE HB 2.700 . 3.600 2.754 2.367 2.999 . 0 0 "[ . 1 . 2]" 1
877 1 51 ILE H 1 51 ILE MD 3.000 . 4.100 3.142 2.586 4.022 . 0 0 "[ . 1 . 2]" 1
878 1 51 ILE H 1 51 ILE QG 3.100 . 4.300 1.974 1.676 2.756 0.224 20 0 "[ . 1 . 2]" 1
879 1 51 ILE H 1 51 ILE MG 2.800 . 3.700 3.763 3.723 3.794 0.094 3 0 "[ . 1 . 2]" 1
880 1 51 ILE H 1 52 SER H 2.900 . 4.000 2.649 2.337 2.844 . 0 0 "[ . 1 . 2]" 1
881 1 51 ILE H 1 53 ALA H 3.300 . 4.700 4.052 3.642 4.276 . 0 0 "[ . 1 . 2]" 1
882 1 51 ILE H 1 121 LEU QD 3.400 . 4.900 3.295 2.983 3.732 . 0 0 "[ . 1 . 2]" 1
883 1 51 ILE HA 1 51 ILE MG 2.200 . 2.800 2.249 2.028 2.583 . 0 0 "[ . 1 . 2]" 1
884 1 51 ILE HA 1 52 SER H 3.300 . 4.700 3.543 3.520 3.564 . 0 0 "[ . 1 . 2]" 1
885 1 51 ILE HA 1 54 HIS H 3.300 . 4.600 3.400 3.029 3.613 . 0 0 "[ . 1 . 2]" 1
886 1 51 ILE HA 1 54 HIS HB2 3.500 . 5.000 3.185 2.425 3.736 . 0 0 "[ . 1 . 2]" 1
887 1 51 ILE HA 1 54 HIS HB3 3.400 . 4.900 3.637 2.871 4.507 . 0 0 "[ . 1 . 2]" 1
888 1 51 ILE HA 1 54 HIS HD2 3.000 . 4.100 5.258 4.333 6.044 1.944 18 18 "[* **************+*-]" 1
889 1 51 ILE HA 1 55 ASP H 3.300 . 4.700 4.312 3.968 4.641 . 0 0 "[ . 1 . 2]" 1
890 1 51 ILE HA 1 121 LEU QD 2.700 . 3.600 2.401 2.143 2.599 . 0 0 "[ . 1 . 2]" 1
891 1 51 ILE HB 1 52 SER H 2.800 . 3.800 2.645 2.392 2.891 . 0 0 "[ . 1 . 2]" 1
892 1 51 ILE HB 1 121 LEU QD 2.800 . 3.600 4.278 3.837 4.604 1.004 2 13 "[ + *** *1***-** **]" 1
893 1 51 ILE MD 1 51 ILE QG 2.000 . 2.500 1.861 1.846 1.887 . 0 0 "[ . 1 . 2]" 1
894 1 51 ILE MD 1 51 ILE MG 2.000 . 2.500 2.002 1.606 2.256 . 0 0 "[ . 1 . 2]" 1
895 1 51 ILE MD 1 52 SER H 3.400 . 4.800 4.615 4.394 4.921 0.121 7 0 "[ . 1 . 2]" 1
896 1 51 ILE MD 1 121 LEU H 3.600 . 5.200 4.931 4.672 5.260 0.060 10 0 "[ . 1 . 2]" 1
897 1 51 ILE MD 1 122 LEU H 3.600 . 5.300 4.077 3.684 4.455 . 0 0 "[ . 1 . 2]" 1
898 1 51 ILE MD 1 125 GLN H 3.300 . 4.700 3.890 3.288 4.504 . 0 0 "[ . 1 . 2]" 1
899 1 51 ILE MD 1 125 GLN QE 3.000 . 4.000 2.069 1.866 2.418 0.034 3 0 "[ . 1 . 2]" 1
900 1 51 ILE QG 1 52 SER H 3.300 . 4.700 3.746 3.410 4.207 . 0 0 "[ . 1 . 2]" 1
901 1 51 ILE QG 1 121 LEU QD 3.100 . 3.900 2.862 1.765 3.565 0.135 10 0 "[ . 1 . 2]" 1
902 1 51 ILE MG 1 52 SER H 2.900 . 3.900 3.664 3.150 3.987 0.087 13 0 "[ . 1 . 2]" 1
903 1 51 ILE MG 1 121 LEU QD 2.400 . 3.100 2.939 2.144 3.048 . 0 0 "[ . 1 . 2]" 1
904 1 51 ILE MG 1 125 GLN QE 3.100 . 4.300 3.206 2.526 3.753 . 0 0 "[ . 1 . 2]" 1
905 1 52 SER H 1 52 SER HA 2.600 . 3.500 2.798 2.768 2.821 . 0 0 "[ . 1 . 2]" 1
906 1 52 SER H 1 52 SER QB 2.400 . 3.100 2.609 2.318 2.887 . 0 0 "[ . 1 . 2]" 1
907 1 52 SER H 1 53 ALA H 2.700 . 3.600 2.693 2.595 2.813 . 0 0 "[ . 1 . 2]" 1
908 1 52 SER H 1 54 HIS H 3.000 . 4.100 4.057 3.920 4.275 0.175 12 0 "[ . 1 . 2]" 1
909 1 52 SER HA 1 53 ALA H 2.900 . 3.900 3.508 3.461 3.551 . 0 0 "[ . 1 . 2]" 1
910 1 52 SER HA 1 54 HIS H 3.300 . 4.700 3.862 3.320 4.357 . 0 0 "[ . 1 . 2]" 1
911 1 52 SER HA 1 55 ASP H 2.500 . 3.300 2.980 2.655 3.318 0.018 3 0 "[ . 1 . 2]" 1
912 1 52 SER HA 1 55 ASP HB2 2.500 . 3.300 2.701 2.126 3.443 0.143 3 0 "[ . 1 . 2]" 1
913 1 52 SER HA 1 55 ASP HB3 2.700 . 3.600 2.289 1.951 2.928 . 0 0 "[ . 1 . 2]" 1
914 1 52 SER HA 1 56 GLN H 2.600 . 3.500 3.704 3.153 4.014 0.514 2 1 "[ + . 1 . 2]" 1
915 1 52 SER QB 1 53 ALA H 2.500 . 3.300 2.769 2.461 2.984 . 0 0 "[ . 1 . 2]" 1
916 1 53 ALA H 1 53 ALA HA 2.500 . 3.300 2.829 2.803 2.867 . 0 0 "[ . 1 . 2]" 1
917 1 53 ALA H 1 53 ALA MB 2.100 . 2.700 2.105 2.025 2.235 . 0 0 "[ . 1 . 2]" 1
918 1 53 ALA H 1 54 HIS H 2.800 . 3.800 2.596 2.537 2.717 . 0 0 "[ . 1 . 2]" 1
919 1 53 ALA H 1 55 ASP H 3.500 . 5.000 3.907 3.714 4.126 . 0 0 "[ . 1 . 2]" 1
920 1 53 ALA HA 1 53 ALA MB 2.100 . 2.600 2.102 2.083 2.127 . 0 0 "[ . 1 . 2]" 1
921 1 53 ALA HA 1 54 HIS H 3.300 . 4.600 3.441 3.268 3.544 . 0 0 "[ . 1 . 2]" 1
922 1 53 ALA HA 1 55 ASP H 3.400 . 4.800 4.303 3.902 4.602 . 0 0 "[ . 1 . 2]" 1
923 1 53 ALA HA 1 56 GLN H 2.700 . 3.600 3.784 3.426 3.893 0.293 4 0 "[ . 1 . 2]" 1
924 1 53 ALA HA 1 57 PHE H 3.500 . 5.100 4.310 3.942 4.746 . 0 0 "[ . 1 . 2]" 1
925 1 53 ALA MB 1 54 HIS H 2.600 . 3.500 2.937 2.566 3.280 . 0 0 "[ . 1 . 2]" 1
926 1 53 ALA MB 1 56 GLN H 3.100 . 4.300 4.976 4.685 5.173 0.873 11 19 "[* -*******+*********]" 1
927 1 54 HIS H 1 54 HIS HA 2.700 . 3.600 2.912 2.857 2.947 . 0 0 "[ . 1 . 2]" 1
928 1 54 HIS H 1 54 HIS HB2 2.700 . 3.600 2.376 2.226 2.601 . 0 0 "[ . 1 . 2]" 1
929 1 54 HIS H 1 54 HIS HB3 2.600 . 3.500 2.974 2.629 3.339 . 0 0 "[ . 1 . 2]" 1
930 1 54 HIS H 1 55 ASP H 2.700 . 3.600 2.186 1.819 2.538 . 0 0 "[ . 1 . 2]" 1
931 1 54 HIS H 1 56 GLN H 3.400 . 4.800 4.064 3.684 4.367 . 0 0 "[ . 1 . 2]" 1
932 1 54 HIS H 1 57 PHE QB 3.200 . 4.500 4.256 3.908 4.447 . 0 0 "[ . 1 . 2]" 1
933 1 54 HIS H 1 121 LEU QD 3.300 . 4.700 3.837 3.421 4.269 . 0 0 "[ . 1 . 2]" 1
934 1 54 HIS HA 1 54 HIS HD2 3.100 . 4.300 4.573 4.369 4.719 0.419 2 0 "[ . 1 . 2]" 1
935 1 54 HIS HA 1 55 ASP H 3.100 . 4.300 3.469 3.368 3.532 . 0 0 "[ . 1 . 2]" 1
936 1 54 HIS HA 1 56 GLN H 3.600 . 5.200 4.603 4.480 4.716 . 0 0 "[ . 1 . 2]" 1
937 1 54 HIS HA 1 57 PHE H 2.900 . 4.000 3.246 3.130 3.472 . 0 0 "[ . 1 . 2]" 1
938 1 54 HIS HA 1 57 PHE QB 3.300 . 4.200 2.049 1.846 2.257 0.154 7 0 "[ . 1 . 2]" 1
939 1 54 HIS HA 1 57 PHE QD 2.700 . 3.600 3.711 3.329 3.903 0.303 5 0 "[ . 1 . 2]" 1
940 1 54 HIS HA 1 58 LYS H 3.600 . 5.200 4.315 3.862 5.096 . 0 0 "[ . 1 . 2]" 1
941 1 54 HIS HB2 1 54 HIS HD2 2.700 . 3.600 3.440 3.252 3.798 0.198 8 0 "[ . 1 . 2]" 1
942 1 54 HIS HB2 1 55 ASP H 3.000 . 4.100 3.588 3.025 4.023 . 0 0 "[ . 1 . 2]" 1
943 1 54 HIS HB2 1 121 LEU QD 3.000 . 4.100 2.441 2.059 2.999 . 0 0 "[ . 1 . 2]" 1
944 1 54 HIS HB3 1 54 HIS HD2 2.800 . 3.800 2.778 2.689 2.860 . 0 0 "[ . 1 . 2]" 1
945 1 54 HIS HB3 1 55 ASP H 2.900 . 3.900 2.991 2.637 3.388 . 0 0 "[ . 1 . 2]" 1
946 1 54 HIS HB3 1 121 LEU QD 2.900 . 3.900 3.105 2.242 4.016 0.116 11 0 "[ . 1 . 2]" 1
947 1 54 HIS HD2 1 114 VAL QG 3.100 . 4.300 3.668 2.940 4.281 . 0 0 "[ . 1 . 2]" 1
948 1 54 HIS HD2 1 117 ARG QG 2.600 . 3.500 3.615 3.264 3.707 0.207 18 0 "[ . 1 . 2]" 1
949 1 54 HIS HD2 1 118 ASP HA 2.500 . 3.300 2.555 2.119 3.396 0.096 11 0 "[ . 1 . 2]" 1
950 1 54 HIS HD2 1 118 ASP HB2 3.000 . 4.100 3.215 2.076 3.977 . 0 0 "[ . 1 . 2]" 1
951 1 54 HIS HD2 1 118 ASP HB3 3.300 . 4.700 4.252 3.754 4.811 0.111 18 0 "[ . 1 . 2]" 1
952 1 54 HIS HD2 1 121 LEU QD 2.500 . 3.300 2.863 2.502 3.387 0.087 18 0 "[ . 1 . 2]" 1
953 1 54 HIS HE1 1 114 VAL HA 2.500 . 3.300 2.474 2.052 2.935 . 0 0 "[ . 1 . 2]" 1
954 1 54 HIS HE1 1 114 VAL QG 2.600 . 3.500 2.748 2.251 3.005 . 0 0 "[ . 1 . 2]" 1
955 1 54 HIS HE1 1 117 ARG HB3 2.900 . 4.000 3.133 2.658 3.549 . 0 0 "[ . 1 . 2]" 1
956 1 54 HIS HE1 1 117 ARG QG 2.500 . 3.300 3.153 2.691 3.284 . 0 0 "[ . 1 . 2]" 1
957 1 54 HIS HE1 1 118 ASP H 3.500 . 5.000 4.823 4.408 5.181 0.181 19 0 "[ . 1 . 2]" 1
958 1 55 ASP H 1 55 ASP HA 2.500 . 3.300 2.820 2.730 2.895 . 0 0 "[ . 1 . 2]" 1
959 1 55 ASP H 1 55 ASP HB2 2.500 . 3.300 2.494 2.247 2.624 . 0 0 "[ . 1 . 2]" 1
960 1 55 ASP H 1 55 ASP HB3 2.600 . 3.500 2.571 2.475 2.815 . 0 0 "[ . 1 . 2]" 1
961 1 55 ASP H 1 56 GLN H 2.600 . 3.400 2.724 2.435 3.034 . 0 0 "[ . 1 . 2]" 1
962 1 55 ASP H 1 57 PHE H 3.300 . 4.700 3.627 3.314 3.736 . 0 0 "[ . 1 . 2]" 1
963 1 55 ASP HA 1 56 GLN H 2.600 . 3.500 3.562 3.542 3.579 0.079 11 0 "[ . 1 . 2]" 1
964 1 55 ASP HA 1 57 PHE H 2.900 . 3.900 4.006 3.705 4.054 0.154 19 0 "[ . 1 . 2]" 1
965 1 55 ASP HA 1 58 LYS H 3.000 . 4.100 2.716 2.631 2.773 . 0 0 "[ . 1 . 2]" 1
966 1 55 ASP HA 1 59 SER H 2.400 . 3.100 5.187 4.818 5.852 2.752 7 20 [*****-+*************] 1
967 1 55 ASP HB2 1 56 GLN H 2.700 . 3.600 3.704 3.484 3.804 0.204 11 0 "[ . 1 . 2]" 1
968 1 55 ASP HB3 1 56 GLN H 2.800 . 3.800 2.347 2.162 2.525 . 0 0 "[ . 1 . 2]" 1
969 1 56 GLN H 1 56 GLN HA 2.500 . 3.300 2.848 2.819 2.907 . 0 0 "[ . 1 . 2]" 1
970 1 56 GLN H 1 56 GLN QB 2.100 . 2.700 2.451 2.141 2.852 0.152 11 0 "[ . 1 . 2]" 1
971 1 56 GLN H 1 56 GLN HG2 2.600 . 3.500 2.759 1.924 3.530 0.030 9 0 "[ . 1 . 2]" 1
972 1 56 GLN H 1 56 GLN HG3 2.600 . 3.400 2.907 1.690 3.623 0.223 12 0 "[ . 1 . 2]" 1
973 1 56 GLN H 1 57 PHE H 2.600 . 3.500 2.500 2.351 2.580 . 0 0 "[ . 1 . 2]" 1
974 1 56 GLN H 1 58 LYS H 3.600 . 5.200 4.216 3.972 4.432 . 0 0 "[ . 1 . 2]" 1
975 1 56 GLN HA 1 57 PHE H 2.900 . 4.000 3.409 3.242 3.471 . 0 0 "[ . 1 . 2]" 1
976 1 56 GLN HA 1 59 SER H 2.200 . 2.800 3.163 2.974 3.418 0.618 1 2 "[+ .- 1 . 2]" 1
977 1 56 GLN HA 1 60 THR H 3.100 . 4.300 4.357 4.211 4.420 0.120 15 0 "[ . 1 . 2]" 1
978 1 56 GLN QB 1 57 PHE H 2.600 . 3.500 3.179 2.800 3.649 0.149 1 0 "[ . 1 . 2]" 1
979 1 56 GLN HE21 1 56 GLN HG2 3.200 . 4.500 2.608 2.131 3.557 . 0 0 "[ . 1 . 2]" 1
980 1 56 GLN HE21 1 56 GLN HG3 3.200 . 4.500 2.946 2.151 3.559 . 0 0 "[ . 1 . 2]" 1
981 1 56 GLN HE22 1 56 GLN HG2 3.000 . 4.200 3.654 3.442 4.093 . 0 0 "[ . 1 . 2]" 1
982 1 56 GLN HE22 1 56 GLN HG3 3.100 . 4.300 3.805 3.454 4.094 . 0 0 "[ . 1 . 2]" 1
983 1 56 GLN HG2 1 57 PHE H 3.300 . 4.700 4.331 2.594 5.223 0.523 9 1 "[ . +1 . 2]" 1
984 1 57 PHE H 1 57 PHE HA 2.700 . 3.600 2.826 2.792 2.867 . 0 0 "[ . 1 . 2]" 1
985 1 57 PHE H 1 57 PHE QB 2.500 . 3.300 2.210 2.165 2.250 . 0 0 "[ . 1 . 2]" 1
986 1 57 PHE H 1 57 PHE QD 2.900 . 4.000 4.099 3.976 4.167 0.167 4 0 "[ . 1 . 2]" 1
987 1 57 PHE H 1 58 LYS H 2.900 . 4.000 2.557 2.389 2.662 . 0 0 "[ . 1 . 2]" 1
988 1 57 PHE H 1 59 SER H 3.600 . 5.200 3.748 3.604 3.857 . 0 0 "[ . 1 . 2]" 1
989 1 57 PHE HA 1 57 PHE QD 2.400 . 3.100 2.657 2.194 3.144 0.044 11 0 "[ . 1 . 2]" 1
990 1 57 PHE HA 1 57 PHE QE 2.900 . 3.900 4.555 4.244 4.858 0.958 12 17 "[ ***** -***+ *******]" 1
991 1 57 PHE HA 1 58 LYS H 3.000 . 4.100 3.511 3.486 3.533 . 0 0 "[ . 1 . 2]" 1
992 1 57 PHE HA 1 59 SER H 2.700 . 3.600 3.687 3.600 3.741 0.141 11 0 "[ . 1 . 2]" 1
993 1 57 PHE HA 1 60 THR H 3.100 . 4.300 3.144 3.028 3.290 . 0 0 "[ . 1 . 2]" 1
994 1 57 PHE HA 1 60 THR MG 3.000 . 4.200 4.083 3.730 4.330 0.130 20 0 "[ . 1 . 2]" 1
995 1 57 PHE QB 1 57 PHE QD 2.300 . 3.000 2.123 2.114 2.141 . 0 0 "[ . 1 . 2]" 1
996 1 57 PHE QB 1 58 LYS H 3.200 . 4.000 2.616 2.383 2.752 . 0 0 "[ . 1 . 2]" 1
997 1 57 PHE QD 1 58 LYS H 3.200 . 4.500 3.780 2.943 4.344 . 0 0 "[ . 1 . 2]" 1
998 1 57 PHE QD 1 61 LEU QD 2.900 . 3.800 3.192 2.857 3.401 . 0 0 "[ . 1 . 2]" 1
999 1 57 PHE QD 1 114 VAL QG 3.300 . 4.600 2.700 2.274 3.051 . 0 0 "[ . 1 . 2]" 1
1000 1 57 PHE QE 1 61 LEU QD 2.600 . 3.400 2.560 2.021 2.824 . 0 0 "[ . 1 . 2]" 1
1001 1 57 PHE QE 1 114 VAL QG 3.000 . 4.100 1.950 1.695 2.226 0.205 14 0 "[ . 1 . 2]" 1
1002 1 57 PHE HZ 1 61 LEU QD 2.800 . 3.800 3.027 2.573 3.402 . 0 0 "[ . 1 . 2]" 1
1003 1 57 PHE HZ 1 110 VAL QG 3.200 . 4.400 2.026 1.824 2.423 0.176 4 0 "[ . 1 . 2]" 1
1004 1 57 PHE HZ 1 114 VAL QG 3.000 . 4.200 3.464 2.485 4.169 . 0 0 "[ . 1 . 2]" 1
1005 1 58 LYS H 1 58 LYS HB2 3.000 . 4.100 2.256 1.981 2.856 . 0 0 "[ . 1 . 2]" 1
1006 1 58 LYS H 1 58 LYS HB3 3.100 . 4.300 3.421 3.087 3.627 . 0 0 "[ . 1 . 2]" 1
1007 1 58 LYS H 1 58 LYS QD 3.100 . 4.300 3.240 2.572 4.354 0.054 16 0 "[ . 1 . 2]" 1
1008 1 58 LYS H 1 58 LYS QE 3.100 . 4.300 4.101 2.825 4.551 0.251 19 0 "[ . 1 . 2]" 1
1009 1 58 LYS H 1 58 LYS QG 2.900 . 4.000 3.002 1.887 3.926 . 0 0 "[ . 1 . 2]" 1
1010 1 58 LYS H 1 59 SER H 2.800 . 3.800 2.533 2.422 2.667 . 0 0 "[ . 1 . 2]" 1
1011 1 58 LYS H 1 60 THR H 3.700 . 5.400 4.116 4.059 4.192 . 0 0 "[ . 1 . 2]" 1
1012 1 58 LYS H 1 61 LEU QD 3.500 . 5.000 4.728 4.531 4.879 . 0 0 "[ . 1 . 2]" 1
1013 1 58 LYS HA 1 59 SER H 2.400 . 3.100 3.373 3.306 3.463 0.363 16 0 "[ . 1 . 2]" 1
1014 1 58 LYS HA 1 60 THR H 3.000 . 4.100 4.319 4.133 4.391 0.291 7 0 "[ . 1 . 2]" 1
1015 1 58 LYS HB2 1 59 SER H 2.900 . 4.000 3.366 3.037 3.676 . 0 0 "[ . 1 . 2]" 1
1016 1 58 LYS HB3 1 59 SER H 3.000 . 4.200 3.771 3.175 4.273 0.073 10 0 "[ . 1 . 2]" 1
1017 1 58 LYS QD 1 59 SER H 3.200 . 4.500 4.590 4.281 4.644 0.144 18 0 "[ . 1 . 2]" 1
1018 1 58 LYS QE 1 59 SER H 3.300 . 4.700 4.887 4.676 5.003 0.303 14 0 "[ . 1 . 2]" 1
1019 1 58 LYS QE 1 61 LEU QD 2.500 . 3.300 1.992 1.658 3.188 0.142 5 0 "[ . 1 . 2]" 1
1020 1 58 LYS QG 1 59 SER H 3.200 . 4.500 4.559 3.767 4.874 0.374 19 0 "[ . 1 . 2]" 1
1021 1 59 SER H 1 59 SER HA 2.500 . 3.300 2.917 2.899 2.932 . 0 0 "[ . 1 . 2]" 1
1022 1 59 SER H 1 59 SER QB 2.400 . 3.100 2.764 2.531 3.015 . 0 0 "[ . 1 . 2]" 1
1023 1 59 SER H 1 60 THR H 2.800 . 3.700 2.219 2.094 2.343 . 0 0 "[ . 1 . 2]" 1
1024 1 59 SER H 1 61 LEU H 3.500 . 5.000 3.572 3.395 3.745 . 0 0 "[ . 1 . 2]" 1
1025 1 59 SER HA 1 60 THR H 3.000 . 4.100 3.500 3.461 3.528 . 0 0 "[ . 1 . 2]" 1
1026 1 59 SER HA 1 63 ASP H 2.600 . 3.400 5.432 5.145 5.744 2.344 9 20 [********+***-*******] 1
1027 1 60 THR H 1 60 THR HA 3.000 . 4.100 2.874 2.850 2.905 . 0 0 "[ . 1 . 2]" 1
1028 1 60 THR H 1 60 THR HB 2.900 . 4.000 3.201 2.568 3.524 . 0 0 "[ . 1 . 2]" 1
1029 1 60 THR H 1 60 THR MG 2.600 . 3.500 3.362 2.990 3.758 0.258 16 0 "[ . 1 . 2]" 1
1030 1 60 THR H 1 61 LEU H 2.900 . 3.900 2.414 2.289 2.491 . 0 0 "[ . 1 . 2]" 1
1031 1 60 THR HA 1 60 THR MG 2.300 . 2.900 2.105 1.912 2.323 . 0 0 "[ . 1 . 2]" 1
1032 1 60 THR HA 1 61 LEU H 3.800 . 5.600 3.445 3.403 3.518 . 0 0 "[ . 1 . 2]" 1
1033 1 60 THR HA 1 63 ASP H 3.200 . 4.500 3.671 3.425 3.923 . 0 0 "[ . 1 . 2]" 1
1034 1 60 THR HA 1 63 ASP HB2 3.400 . 4.800 3.422 2.610 4.641 . 0 0 "[ . 1 . 2]" 1
1035 1 60 THR HA 1 63 ASP HB3 3.300 . 4.700 3.521 2.883 4.367 . 0 0 "[ . 1 . 2]" 1
1036 1 60 THR HB 1 60 THR MG 2.100 . 2.600 2.111 2.091 2.135 . 0 0 "[ . 1 . 2]" 1
1037 1 60 THR MG 1 61 LEU H 3.200 . 4.500 4.232 3.941 4.359 . 0 0 "[ . 1 . 2]" 1
1038 1 60 THR MG 1 63 ASP H 3.200 . 4.500 4.821 4.284 5.340 0.840 7 6 "[* . +-** * . 2]" 1
1039 1 61 LEU H 1 61 LEU HA 3.000 . 4.100 2.772 2.729 2.795 . 0 0 "[ . 1 . 2]" 1
1040 1 61 LEU H 1 61 LEU QB 2.800 . 3.800 2.242 2.150 2.324 . 0 0 "[ . 1 . 2]" 1
1041 1 61 LEU H 1 61 LEU QD 3.100 . 4.300 3.006 2.812 3.250 . 0 0 "[ . 1 . 2]" 1
1042 1 61 LEU H 1 61 LEU HG 2.900 . 4.000 2.920 2.710 3.159 . 0 0 "[ . 1 . 2]" 1
1043 1 61 LEU H 1 62 PRO HD2 3.000 . 4.100 2.365 2.184 2.812 . 0 0 "[ . 1 . 2]" 1
1044 1 61 LEU H 1 62 PRO HD3 3.100 . 4.300 3.338 2.820 3.590 . 0 0 "[ . 1 . 2]" 1
1045 1 61 LEU H 1 63 ASP H 4.000 . 6.000 4.249 4.030 4.531 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LEU HA 1 61 LEU QD 2.800 . 3.100 1.745 1.687 1.818 0.113 8 0 "[ . 1 . 2]" 1
1047 1 61 LEU HA 1 63 ASP H 3.000 . 4.200 4.298 4.171 4.369 0.169 10 0 "[ . 1 . 2]" 1
1048 1 61 LEU HA 1 64 ALA H 2.800 . 3.800 3.630 3.451 3.805 0.005 14 0 "[ . 1 . 2]" 1
1049 1 61 LEU HA 1 64 ALA MB 2.400 . 3.100 2.923 2.272 3.128 0.028 5 0 "[ . 1 . 2]" 1
1050 1 61 LEU HA 1 65 ASP H 3.000 . 4.100 3.765 3.545 3.924 . 0 0 "[ . 1 . 2]" 1
1051 1 61 LEU HA 1 107 TRP HH2 2.800 . 3.800 2.176 2.098 2.276 . 0 0 "[ . 1 . 2]" 1
1052 1 61 LEU HA 1 107 TRP HZ2 2.700 . 3.600 3.698 3.552 3.763 0.163 12 0 "[ . 1 . 2]" 1
1053 1 61 LEU HA 1 107 TRP HZ3 2.700 . 3.600 4.021 3.883 4.109 0.509 11 1 "[ . 1+ . 2]" 1
1054 1 61 LEU QD 1 107 TRP HE1 3.200 . 4.500 4.183 4.059 4.350 . 0 0 "[ . 1 . 2]" 1
1055 1 61 LEU QD 1 107 TRP HZ2 2.500 . 3.300 2.799 2.545 3.020 . 0 0 "[ . 1 . 2]" 1
1056 1 61 LEU QD 1 111 GLN HE21 3.100 . 4.300 2.359 1.886 2.744 0.114 3 0 "[ . 1 . 2]" 1
1057 1 61 LEU QD 1 111 GLN HE22 3.500 . 5.000 2.051 1.724 2.493 0.276 11 0 "[ . 1 . 2]" 1
1058 1 61 LEU HG 1 111 GLN HE21 3.600 . 5.200 5.170 4.702 5.464 0.264 5 0 "[ . 1 . 2]" 1
1059 1 61 LEU HG 1 111 GLN HE22 3.500 . 5.100 4.904 3.928 5.424 0.324 4 0 "[ . 1 . 2]" 1
1060 1 62 PRO HA 1 63 ASP H 2.900 . 4.000 3.525 3.494 3.560 . 0 0 "[ . 1 . 2]" 1
1061 1 62 PRO HA 1 64 ALA H 2.900 . 3.900 4.782 4.653 4.925 1.025 9 20 [********+-**********] 1
1062 1 62 PRO HA 1 65 ASP H 3.300 . 4.600 3.684 3.468 4.045 . 0 0 "[ . 1 . 2]" 1
1063 1 62 PRO HA 1 66 ARG H 3.500 . 5.000 4.157 3.828 4.616 . 0 0 "[ . 1 . 2]" 1
1064 1 62 PRO HB2 1 63 ASP H 3.200 . 4.500 3.120 2.700 3.353 . 0 0 "[ . 1 . 2]" 1
1065 1 62 PRO HB3 1 63 ASP H 3.200 . 4.500 4.148 4.017 4.228 . 0 0 "[ . 1 . 2]" 1
1066 1 62 PRO HD2 1 63 ASP H 3.100 . 4.300 3.005 2.698 3.283 . 0 0 "[ . 1 . 2]" 1
1067 1 62 PRO HD3 1 63 ASP H 3.100 . 4.300 4.062 3.924 4.211 . 0 0 "[ . 1 . 2]" 1
1068 1 62 PRO QG 1 63 ASP H 2.800 . 3.800 2.803 2.464 3.855 0.055 6 0 "[ . 1 . 2]" 1
1069 1 63 ASP H 1 63 ASP HA 2.400 . 3.100 2.866 2.834 2.923 . 0 0 "[ . 1 . 2]" 1
1070 1 63 ASP H 1 63 ASP HB2 2.800 . 3.800 2.324 2.105 2.665 . 0 0 "[ . 1 . 2]" 1
1071 1 63 ASP H 1 63 ASP HB3 2.500 . 3.300 2.897 2.559 3.495 0.195 1 0 "[ . 1 . 2]" 1
1072 1 63 ASP H 1 64 ALA H 2.800 . 3.800 2.536 2.200 2.703 . 0 0 "[ . 1 . 2]" 1
1073 1 63 ASP H 1 65 ASP H 3.400 . 4.800 3.740 3.560 3.888 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ASP HA 1 64 ALA H 2.900 . 3.900 3.543 3.483 3.562 . 0 0 "[ . 1 . 2]" 1
1075 1 63 ASP HA 1 65 ASP H 3.600 . 5.200 4.324 4.127 4.480 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ASP HA 1 66 ARG H 2.900 . 3.900 3.594 3.161 3.918 0.018 5 0 "[ . 1 . 2]" 1
1077 1 63 ASP HA 1 67 GLU H 3.400 . 4.900 4.451 3.851 4.694 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ASP HB2 1 64 ALA H 2.800 . 3.800 3.440 2.647 3.880 0.080 15 0 "[ . 1 . 2]" 1
1079 1 63 ASP HB3 1 64 ALA H 3.000 . 4.100 2.544 2.248 3.132 . 0 0 "[ . 1 . 2]" 1
1080 1 64 ALA H 1 64 ALA HA 2.800 . 3.800 2.841 2.820 2.857 . 0 0 "[ . 1 . 2]" 1
1081 1 64 ALA H 1 64 ALA MB 2.400 . 3.100 2.168 2.036 2.239 . 0 0 "[ . 1 . 2]" 1
1082 1 64 ALA H 1 65 ASP H 2.900 . 3.900 2.547 2.469 2.646 . 0 0 "[ . 1 . 2]" 1
1083 1 64 ALA H 1 66 ARG H 3.200 . 4.500 4.193 3.964 4.403 . 0 0 "[ . 1 . 2]" 1
1084 1 64 ALA H 1 107 TRP HH2 3.400 . 4.800 3.713 3.566 3.880 . 0 0 "[ . 1 . 2]" 1
1085 1 64 ALA HA 1 65 ASP H 3.300 . 4.700 3.502 3.450 3.549 . 0 0 "[ . 1 . 2]" 1
1086 1 64 ALA HA 1 66 ARG H 3.300 . 4.600 4.310 3.965 4.507 . 0 0 "[ . 1 . 2]" 1
1087 1 64 ALA HA 1 67 GLU H 3.100 . 4.300 3.145 2.950 3.266 . 0 0 "[ . 1 . 2]" 1
1088 1 64 ALA HA 1 68 ARG H 3.200 . 4.500 4.216 3.957 4.488 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ALA MB 1 65 ASP H 2.900 . 3.900 2.757 2.622 2.877 . 0 0 "[ . 1 . 2]" 1
1090 1 64 ALA MB 1 107 TRP HE3 2.800 . 3.800 3.863 3.652 4.025 0.225 16 0 "[ . 1 . 2]" 1
1091 1 64 ALA MB 1 107 TRP HH2 2.600 . 3.400 2.152 1.941 2.478 . 0 0 "[ . 1 . 2]" 1
1092 1 64 ALA MB 1 107 TRP HZ2 2.600 . 3.400 4.274 4.111 4.446 1.046 6 20 [*****+***-**********] 1
1093 1 64 ALA MB 1 107 TRP HZ3 2.500 . 3.300 1.914 1.687 2.139 0.013 7 0 "[ . 1 . 2]" 1
1094 1 65 ASP H 1 65 ASP HB2 2.800 . 3.800 2.665 2.392 2.895 . 0 0 "[ . 1 . 2]" 1
1095 1 65 ASP H 1 65 ASP HB3 2.800 . 3.800 2.413 2.244 2.614 . 0 0 "[ . 1 . 2]" 1
1096 1 65 ASP H 1 66 ARG H 2.700 . 3.600 2.679 2.545 2.752 . 0 0 "[ . 1 . 2]" 1
1097 1 65 ASP H 1 66 ARG H 2.800 . 3.800 2.636 2.516 2.698 . 0 0 "[ . 1 . 2]" 1
1098 1 65 ASP H 1 67 GLU H 3.700 . 5.400 3.948 3.733 4.144 . 0 0 "[ . 1 . 2]" 1
1099 1 65 ASP H 1 107 TRP HH2 2.900 . 3.900 2.695 2.486 2.862 . 0 0 "[ . 1 . 2]" 1
1100 1 65 ASP H 1 107 TRP HZ2 2.800 . 3.800 3.698 3.545 3.812 0.012 9 0 "[ . 1 . 2]" 1
1101 1 65 ASP HA 1 66 ARG H 3.200 . 4.500 3.532 3.486 3.559 . 0 0 "[ . 1 . 2]" 1
1102 1 65 ASP HA 1 67 GLU H 3.600 . 5.200 4.296 4.068 4.520 . 0 0 "[ . 1 . 2]" 1
1103 1 65 ASP HA 1 68 ARG H 3.000 . 4.100 3.455 3.250 3.821 . 0 0 "[ . 1 . 2]" 1
1104 1 65 ASP HA 1 68 ARG HE 3.500 . 5.000 3.011 2.231 4.451 . 0 0 "[ . 1 . 2]" 1
1105 1 65 ASP HA 1 69 GLU H 3.300 . 4.700 4.643 4.264 5.189 0.489 20 0 "[ . 1 . 2]" 1
1106 1 65 ASP HA 1 107 TRP HH2 2.600 . 3.500 3.622 3.572 3.674 0.174 16 0 "[ . 1 . 2]" 1
1107 1 65 ASP HA 1 107 TRP HZ2 2.600 . 3.400 3.456 3.234 3.644 0.244 11 0 "[ . 1 . 2]" 1
1108 1 65 ASP HB2 1 66 ARG H 3.100 . 4.300 3.915 3.679 4.107 . 0 0 "[ . 1 . 2]" 1
1109 1 65 ASP HB2 1 107 TRP HE1 3.300 . 4.600 3.765 3.567 3.978 . 0 0 "[ . 1 . 2]" 1
1110 1 65 ASP HB2 1 107 TRP HH2 3.200 . 4.500 3.156 2.945 3.407 . 0 0 "[ . 1 . 2]" 1
1111 1 65 ASP HB2 1 107 TRP HZ2 2.600 . 3.500 1.977 1.879 2.101 . 0 0 "[ . 1 . 2]" 1
1112 1 65 ASP HB3 1 66 ARG H 2.900 . 4.000 2.594 2.391 2.905 . 0 0 "[ . 1 . 2]" 1
1113 1 65 ASP HB3 1 107 TRP HE1 3.600 . 5.200 5.383 5.203 5.484 0.284 12 0 "[ . 1 . 2]" 1
1114 1 65 ASP HB3 1 107 TRP HH2 3.000 . 4.100 4.177 4.011 4.360 0.260 17 0 "[ . 1 . 2]" 1
1115 1 65 ASP HB3 1 107 TRP HZ2 2.700 . 3.600 3.610 3.518 3.683 0.083 11 0 "[ . 1 . 2]" 1
1116 1 66 ARG H 1 66 ARG HA 2.500 . 3.300 2.821 2.787 2.878 . 0 0 "[ . 1 . 2]" 1
1117 1 66 ARG H 1 66 ARG HB2 2.500 . 3.300 2.168 2.053 2.631 . 0 0 "[ . 1 . 2]" 1
1118 1 66 ARG H 1 66 ARG HB3 2.400 . 3.100 3.126 2.450 3.492 0.392 1 0 "[ . 1 . 2]" 1
1119 1 66 ARG H 1 66 ARG QD 3.300 . 4.700 4.004 2.250 4.814 0.114 6 0 "[ . 1 . 2]" 1
1120 1 66 ARG H 1 66 ARG QG 3.000 . 4.200 3.554 2.722 4.025 . 0 0 "[ . 1 . 2]" 1
1121 1 66 ARG H 1 68 ARG H 2.900 . 3.900 2.698 2.585 2.921 . 0 0 "[ . 1 . 2]" 1
1122 1 66 ARG H 1 68 ARG H 3.400 . 4.900 4.197 3.999 4.485 . 0 0 "[ . 1 . 2]" 1
1123 1 66 ARG HA 1 67 GLU H 3.200 . 4.500 3.509 3.465 3.547 . 0 0 "[ . 1 . 2]" 1
1124 1 66 ARG HA 1 68 ARG H 3.700 . 5.400 4.352 4.114 4.642 . 0 0 "[ . 1 . 2]" 1
1125 1 66 ARG HA 1 69 GLU H 3.100 . 4.300 3.455 3.076 3.740 . 0 0 "[ . 1 . 2]" 1
1126 1 66 ARG HA 1 70 ALA H 3.300 . 4.600 4.168 3.957 4.509 . 0 0 "[ . 1 . 2]" 1
1127 1 66 ARG HB2 1 67 GLU H 2.900 . 3.900 3.305 2.812 3.940 0.040 9 0 "[ . 1 . 2]" 1
1128 1 66 ARG HB3 1 67 GLU H 2.600 . 3.500 2.981 2.523 3.634 0.134 1 0 "[ . 1 . 2]" 1
1129 1 66 ARG QG 1 67 GLU H 3.200 . 4.500 4.349 4.004 4.650 0.150 19 0 "[ . 1 . 2]" 1
1130 1 67 GLU H 1 67 GLU HA 2.700 . 3.600 2.800 2.754 2.834 . 0 0 "[ . 1 . 2]" 1
1131 1 67 GLU H 1 67 GLU HB2 2.600 . 3.400 2.269 2.069 2.646 . 0 0 "[ . 1 . 2]" 1
1132 1 67 GLU H 1 67 GLU HB3 2.900 . 3.900 3.306 2.524 3.594 . 0 0 "[ . 1 . 2]" 1
1133 1 67 GLU H 1 67 GLU QG 3.200 . 4.500 3.110 2.061 4.048 . 0 0 "[ . 1 . 2]" 1
1134 1 67 GLU H 1 68 ARG H 2.900 . 3.900 2.731 2.611 2.960 . 0 0 "[ . 1 . 2]" 1
1135 1 67 GLU H 1 69 GLU H 3.000 . 4.100 4.178 4.007 4.316 0.216 11 0 "[ . 1 . 2]" 1
1136 1 67 GLU H 1 70 ALA MB 3.100 . 4.300 4.337 4.147 4.383 0.083 14 0 "[ . 1 . 2]" 1
1137 1 67 GLU HA 1 68 ARG H 3.200 . 4.500 3.554 3.513 3.584 . 0 0 "[ . 1 . 2]" 1
1138 1 67 GLU HA 1 69 GLU H 3.700 . 5.500 4.288 4.061 4.542 . 0 0 "[ . 1 . 2]" 1
1139 1 67 GLU HA 1 70 ALA H 3.100 . 4.300 3.230 3.006 3.541 . 0 0 "[ . 1 . 2]" 1
1140 1 67 GLU HA 1 70 ALA MB 2.300 . 3.000 2.285 1.955 2.709 . 0 0 "[ . 1 . 2]" 1
1141 1 67 GLU HA 1 71 ILE H 3.700 . 5.400 4.257 3.968 4.550 . 0 0 "[ . 1 . 2]" 1
1142 1 67 GLU HB2 1 68 ARG H 2.900 . 3.900 3.046 2.328 3.848 . 0 0 "[ . 1 . 2]" 1
1143 1 67 GLU HB3 1 68 ARG H 3.000 . 4.100 3.153 2.355 3.576 . 0 0 "[ . 1 . 2]" 1
1144 1 67 GLU QG 1 68 ARG H 3.500 . 5.000 4.224 3.602 4.606 . 0 0 "[ . 1 . 2]" 1
1145 1 68 ARG H 1 68 ARG HB2 2.800 . 3.800 3.255 2.903 3.602 . 0 0 "[ . 1 . 2]" 1
1146 1 68 ARG H 1 68 ARG HB3 3.000 . 4.100 2.223 2.037 3.046 . 0 0 "[ . 1 . 2]" 1
1147 1 68 ARG H 1 68 ARG QD 2.900 . 4.000 3.963 3.104 4.327 0.327 11 0 "[ . 1 . 2]" 1
1148 1 68 ARG H 1 68 ARG HE 3.500 . 5.000 4.802 4.423 5.359 0.359 13 0 "[ . 1 . 2]" 1
1149 1 68 ARG H 1 68 ARG HG2 3.200 . 4.500 3.421 2.118 4.240 . 0 0 "[ . 1 . 2]" 1
1150 1 68 ARG H 1 68 ARG HG3 3.200 . 4.500 4.160 2.146 4.651 0.151 8 0 "[ . 1 . 2]" 1
1151 1 68 ARG H 1 69 GLU H 2.400 . 3.100 2.698 2.611 2.807 . 0 0 "[ . 1 . 2]" 1
1152 1 68 ARG H 1 70 ALA H 2.600 . 3.500 4.032 3.825 4.200 0.700 9 13 "[ *- .** +*** *** **2]" 1
1153 1 68 ARG HA 1 69 GLU H 3.300 . 4.700 3.523 3.466 3.562 . 0 0 "[ . 1 . 2]" 1
1154 1 68 ARG HA 1 70 ALA H 2.400 . 3.100 4.414 4.228 4.566 1.466 2 20 [*+**********-*******] 1
1155 1 68 ARG HA 1 71 ILE H 3.200 . 4.500 3.535 3.311 3.932 . 0 0 "[ . 1 . 2]" 1
1156 1 68 ARG HA 1 72 LEU H 3.400 . 4.800 4.250 4.005 4.880 0.080 20 0 "[ . 1 . 2]" 1
1157 1 68 ARG HB2 1 69 GLU H 2.900 . 4.000 4.055 3.341 4.219 0.219 20 0 "[ . 1 . 2]" 1
1158 1 68 ARG HB3 1 69 GLU H 3.100 . 4.300 3.359 2.770 4.179 . 0 0 "[ . 1 . 2]" 1
1159 1 68 ARG QD 1 69 GLU H 3.200 . 4.500 4.166 2.754 4.547 0.047 19 0 "[ . 1 . 2]" 1
1160 1 68 ARG QD 1 107 TRP HD1 3.500 . 5.000 3.879 3.209 5.233 0.233 8 0 "[ . 1 . 2]" 1
1161 1 68 ARG QD 1 107 TRP HE1 3.600 . 5.200 4.314 3.462 5.256 0.056 8 0 "[ . 1 . 2]" 1
1162 1 68 ARG HE 1 107 TRP HE1 2.900 . 4.000 3.966 3.548 4.270 0.270 7 0 "[ . 1 . 2]" 1
1163 1 68 ARG HG2 1 69 GLU H 3.300 . 4.700 2.732 2.073 3.760 . 0 0 "[ . 1 . 2]" 1
1164 1 68 ARG HG3 1 69 GLU H 3.200 . 4.400 3.699 2.199 4.503 0.103 8 0 "[ . 1 . 2]" 1
1165 1 69 GLU H 1 69 GLU HA 2.800 . 3.700 2.859 2.824 2.917 . 0 0 "[ . 1 . 2]" 1
1166 1 69 GLU H 1 69 GLU HB2 2.400 . 3.100 2.294 2.092 2.644 . 0 0 "[ . 1 . 2]" 1
1167 1 69 GLU H 1 69 GLU HB3 2.600 . 3.500 3.375 2.833 3.620 0.120 7 0 "[ . 1 . 2]" 1
1168 1 69 GLU H 1 69 GLU QG 2.900 . 3.900 3.098 1.996 4.039 0.139 3 0 "[ . 1 . 2]" 1
1169 1 69 GLU H 1 70 ALA H 2.500 . 3.300 2.482 2.192 2.626 . 0 0 "[ . 1 . 2]" 1
1170 1 69 GLU H 1 71 ILE H 3.600 . 5.200 3.785 3.675 3.960 . 0 0 "[ . 1 . 2]" 1
1171 1 69 GLU HA 1 70 ALA H 3.200 . 4.500 3.515 3.463 3.535 . 0 0 "[ . 1 . 2]" 1
1172 1 69 GLU HA 1 71 ILE H 3.800 . 5.600 3.789 3.346 4.011 . 0 0 "[ . 1 . 2]" 1
1173 1 69 GLU HA 1 72 LEU H 3.200 . 4.500 3.321 2.849 3.648 . 0 0 "[ . 1 . 2]" 1
1174 1 69 GLU HA 1 73 ALA H 3.200 . 4.500 4.205 3.985 4.521 0.021 11 0 "[ . 1 . 2]" 1
1175 1 69 GLU HB2 1 70 ALA H 2.700 . 3.600 3.002 2.519 3.648 0.048 3 0 "[ . 1 . 2]" 1
1176 1 69 GLU HB3 1 70 ALA H 2.900 . 3.900 3.320 2.655 3.891 . 0 0 "[ . 1 . 2]" 1
1177 1 69 GLU QG 1 70 ALA H 3.500 . 5.100 4.229 3.751 4.614 . 0 0 "[ . 1 . 2]" 1
1178 1 70 ALA H 1 70 ALA HA 2.500 . 3.300 2.849 2.830 2.871 . 0 0 "[ . 1 . 2]" 1
1179 1 70 ALA H 1 70 ALA MB 2.200 . 2.800 2.070 2.026 2.232 . 0 0 "[ . 1 . 2]" 1
1180 1 70 ALA H 1 71 ILE H 2.700 . 3.600 2.524 2.440 2.583 . 0 0 "[ . 1 . 2]" 1
1181 1 70 ALA H 1 72 LEU H 3.200 . 4.500 4.154 4.018 4.372 . 0 0 "[ . 1 . 2]" 1
1182 1 70 ALA HA 1 70 ALA MB 2.100 . 2.700 2.096 2.086 2.128 . 0 0 "[ . 1 . 2]" 1
1183 1 70 ALA HA 1 71 ILE H 3.000 . 4.100 3.371 3.257 3.424 . 0 0 "[ . 1 . 2]" 1
1184 1 70 ALA HA 1 72 LEU H 3.100 . 4.300 4.426 4.373 4.465 0.165 11 0 "[ . 1 . 2]" 1
1185 1 70 ALA HA 1 73 ALA H 2.800 . 3.800 3.196 3.055 3.406 . 0 0 "[ . 1 . 2]" 1
1186 1 70 ALA HA 1 73 ALA MB 2.200 . 2.800 2.109 1.761 2.406 . 0 0 "[ . 1 . 2]" 1
1187 1 70 ALA HA 1 74 ILE H 3.600 . 5.200 4.433 4.124 5.034 . 0 0 "[ . 1 . 2]" 1
1188 1 70 ALA MB 1 71 ILE H 2.800 . 3.800 3.085 2.952 3.281 . 0 0 "[ . 1 . 2]" 1
1189 1 71 ILE H 1 71 ILE HA 3.000 . 4.100 2.901 2.884 2.927 . 0 0 "[ . 1 . 2]" 1
1190 1 71 ILE H 1 71 ILE HB 2.600 . 3.400 2.202 2.171 2.278 . 0 0 "[ . 1 . 2]" 1
1191 1 71 ILE H 1 71 ILE MD 2.700 . 3.600 3.390 3.229 3.592 . 0 0 "[ . 1 . 2]" 1
1192 1 71 ILE H 1 71 ILE MG 3.100 . 4.300 3.421 3.290 3.481 . 0 0 "[ . 1 . 2]" 1
1193 1 71 ILE H 1 72 LEU H 2.800 . 3.700 2.214 2.047 2.362 . 0 0 "[ . 1 . 2]" 1
1194 1 71 ILE H 1 73 ALA H 2.000 . 2.500 3.306 3.232 3.352 0.852 18 20 [*****************+*-] 1
1195 1 71 ILE HA 1 71 ILE MD 2.500 . 3.300 3.480 3.390 3.545 0.245 10 0 "[ . 1 . 2]" 1
1196 1 71 ILE HA 1 71 ILE MG 2.600 . 3.400 2.821 2.774 2.901 . 0 0 "[ . 1 . 2]" 1
1197 1 71 ILE HA 1 72 LEU H 3.600 . 5.200 3.511 3.497 3.545 . 0 0 "[ . 1 . 2]" 1
1198 1 71 ILE HA 1 74 ILE H 3.800 . 5.600 3.276 3.061 3.638 . 0 0 "[ . 1 . 2]" 1
1199 1 71 ILE HA 1 74 ILE MG 2.800 . 3.800 4.518 4.022 5.201 1.401 20 18 "[** ******* ******-*+]" 1
1200 1 71 ILE HA 1 75 HIS H 3.600 . 5.200 4.489 4.121 5.004 . 0 0 "[ . 1 . 2]" 1
1201 1 71 ILE HB 1 71 ILE MD 2.600 . 3.500 2.092 1.985 2.215 . 0 0 "[ . 1 . 2]" 1
1202 1 71 ILE HB 1 72 LEU H 2.800 . 3.800 2.959 2.895 3.039 . 0 0 "[ . 1 . 2]" 1
1203 1 71 ILE MD 1 72 LEU H 3.500 . 5.000 4.602 4.514 4.705 . 0 0 "[ . 1 . 2]" 1
1204 1 71 ILE MD 1 98 VAL QG 2.700 . 3.600 4.812 4.300 5.140 1.540 19 20 [*********-********+*] 1
1205 1 71 ILE MD 1 98 VAL QG 2.800 . 3.800 3.145 2.482 3.890 0.090 19 0 "[ . 1 . 2]" 1
1206 1 71 ILE MG 1 72 LEU H 3.200 . 4.500 2.732 2.472 2.857 . 0 0 "[ . 1 . 2]" 1
1207 1 71 ILE MG 1 98 VAL QG 2.500 . 3.300 3.856 3.331 4.288 0.988 15 12 "[*** .** *1*** +- *2]" 1
1208 1 71 ILE MG 1 98 VAL QG 2.500 . 3.300 2.771 2.138 3.182 . 0 0 "[ . 1 . 2]" 1
1209 1 72 LEU H 1 72 LEU HA 2.900 . 4.000 2.833 2.815 2.863 . 0 0 "[ . 1 . 2]" 1
1210 1 72 LEU H 1 72 LEU HB2 2.600 . 3.500 2.181 2.021 2.405 . 0 0 "[ . 1 . 2]" 1
1211 1 72 LEU H 1 72 LEU HB3 2.900 . 4.000 3.445 3.246 3.573 . 0 0 "[ . 1 . 2]" 1
1212 1 72 LEU H 1 72 LEU QD 2.500 . 3.300 2.943 2.236 3.334 0.034 9 0 "[ . 1 . 2]" 1
1213 1 72 LEU H 1 72 LEU HG 2.700 . 3.600 3.315 2.424 4.077 0.477 11 0 "[ . 1 . 2]" 1
1214 1 72 LEU H 1 73 ALA H 2.800 . 3.800 2.465 2.406 2.527 . 0 0 "[ . 1 . 2]" 1
1215 1 72 LEU H 1 74 ILE H 3.600 . 5.200 4.180 3.962 4.389 . 0 0 "[ . 1 . 2]" 1
1216 1 72 LEU HA 1 73 ALA H 2.900 . 4.000 3.456 3.416 3.484 . 0 0 "[ . 1 . 2]" 1
1217 1 72 LEU HA 1 74 ILE H 3.600 . 5.200 4.180 3.599 4.582 . 0 0 "[ . 1 . 2]" 1
1218 1 72 LEU HA 1 75 HIS H 3.000 . 4.100 3.149 2.758 3.343 . 0 0 "[ . 1 . 2]" 1
1219 1 72 LEU HA 1 75 HIS HB2 3.400 . 4.800 4.014 2.389 4.483 . 0 0 "[ . 1 . 2]" 1
1220 1 72 LEU HA 1 75 HIS HB3 3.200 . 4.500 2.436 1.956 2.844 . 0 0 "[ . 1 . 2]" 1
1221 1 72 LEU HA 1 75 HIS HD2 3.500 . 5.000 3.279 2.591 5.401 0.401 20 0 "[ . 1 . 2]" 1
1222 1 72 LEU HA 1 76 LYS H 3.200 . 4.500 4.294 3.925 4.536 0.036 9 0 "[ . 1 . 2]" 1
1223 1 72 LEU HB2 1 73 ALA H 2.800 . 3.800 3.041 2.872 3.194 . 0 0 "[ . 1 . 2]" 1
1224 1 72 LEU HB3 1 73 ALA H 2.900 . 3.900 3.523 3.061 3.821 . 0 0 "[ . 1 . 2]" 1
1225 1 72 LEU QD 1 73 ALA H 2.900 . 3.900 4.062 3.736 4.188 0.288 20 0 "[ . 1 . 2]" 1
1226 1 72 LEU QD 1 75 HIS H 3.200 . 4.500 4.194 3.799 4.598 0.098 4 0 "[ . 1 . 2]" 1
1227 1 72 LEU QD 1 75 HIS HD2 3.300 . 4.700 2.863 2.125 4.867 0.167 20 0 "[ . 1 . 2]" 1
1228 1 72 LEU QD 1 75 HIS HE1 3.000 . 4.200 4.145 3.184 4.357 0.157 13 0 "[ . 1 . 2]" 1
1229 1 72 LEU QD 1 76 LYS H 3.400 . 4.800 4.689 4.105 4.964 0.164 11 0 "[ . 1 . 2]" 1
1230 1 72 LEU QD 1 101 GLN H 3.400 . 4.800 4.689 4.397 5.018 0.218 15 0 "[ . 1 . 2]" 1
1231 1 72 LEU QD 1 104 ASN HD21 3.200 . 4.500 3.679 2.349 4.509 0.009 11 0 "[ . 1 . 2]" 1
1232 1 72 LEU QD 1 104 ASN HD22 3.000 . 4.100 3.717 2.496 4.251 0.151 7 0 "[ . 1 . 2]" 1
1233 1 73 ALA H 1 73 ALA HA 2.400 . 3.100 2.833 2.767 2.865 . 0 0 "[ . 1 . 2]" 1
1234 1 73 ALA H 1 73 ALA MB 2.100 . 2.700 2.151 2.031 2.253 . 0 0 "[ . 1 . 2]" 1
1235 1 73 ALA H 1 74 ILE H 2.700 . 3.600 2.640 2.489 2.834 . 0 0 "[ . 1 . 2]" 1
1236 1 73 ALA H 1 75 HIS H 2.900 . 4.000 4.007 3.768 4.134 0.134 9 0 "[ . 1 . 2]" 1
1237 1 73 ALA HA 1 73 ALA MB 2.000 . 2.500 2.107 2.082 2.130 . 0 0 "[ . 1 . 2]" 1
1238 1 73 ALA HA 1 74 ILE H 3.200 . 4.500 3.519 3.414 3.560 . 0 0 "[ . 1 . 2]" 1
1239 1 73 ALA HA 1 75 HIS H 3.500 . 5.000 4.385 4.207 4.531 . 0 0 "[ . 1 . 2]" 1
1240 1 73 ALA HA 1 76 LYS H 3.000 . 4.100 3.430 3.294 3.676 . 0 0 "[ . 1 . 2]" 1
1241 1 73 ALA HA 1 77 GLU H 3.500 . 5.100 5.055 4.683 5.274 0.174 6 0 "[ . 1 . 2]" 1
1242 1 73 ALA MB 1 74 ILE H 3.000 . 4.100 2.649 2.465 3.022 . 0 0 "[ . 1 . 2]" 1
1243 1 74 ILE H 1 74 ILE HA 3.000 . 4.100 2.837 2.802 2.906 . 0 0 "[ . 1 . 2]" 1
1244 1 74 ILE H 1 74 ILE HB 3.000 . 4.200 2.469 2.319 2.583 . 0 0 "[ . 1 . 2]" 1
1245 1 74 ILE H 1 74 ILE MD 3.100 . 4.300 3.140 2.405 3.375 . 0 0 "[ . 1 . 2]" 1
1246 1 74 ILE H 1 74 ILE HG12 2.900 . 4.000 3.754 3.605 3.982 . 0 0 "[ . 1 . 2]" 1
1247 1 74 ILE H 1 74 ILE HG13 3.300 . 4.700 2.308 2.074 2.616 . 0 0 "[ . 1 . 2]" 1
1248 1 74 ILE H 1 74 ILE MG 3.000 . 4.100 3.753 3.706 3.769 . 0 0 "[ . 1 . 2]" 1
1249 1 74 ILE H 1 75 HIS H 3.000 . 4.100 2.554 2.230 2.691 . 0 0 "[ . 1 . 2]" 1
1250 1 74 ILE H 1 76 LYS H 3.200 . 4.500 3.855 3.733 4.045 . 0 0 "[ . 1 . 2]" 1
1251 1 74 ILE HA 1 74 ILE MG 2.500 . 3.300 2.441 2.342 2.586 . 0 0 "[ . 1 . 2]" 1
1252 1 74 ILE HA 1 75 HIS H 3.300 . 4.600 3.519 3.486 3.547 . 0 0 "[ . 1 . 2]" 1
1253 1 74 ILE HA 1 76 LYS H 3.300 . 4.700 3.952 3.830 4.282 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ILE HA 1 77 GLU H 3.100 . 4.300 3.924 3.464 4.271 . 0 0 "[ . 1 . 2]" 1
1255 1 74 ILE HA 1 78 ALA H 2.800 . 3.800 4.769 4.569 5.152 1.352 6 20 [*-***+**************] 1
1256 1 74 ILE HB 1 74 ILE MD 2.300 . 3.000 2.212 2.074 2.310 . 0 0 "[ . 1 . 2]" 1
1257 1 74 ILE HB 1 75 HIS H 3.100 . 4.300 2.588 2.467 2.718 . 0 0 "[ . 1 . 2]" 1
1258 1 74 ILE MG 1 75 HIS H 3.100 . 4.300 3.401 3.172 3.584 . 0 0 "[ . 1 . 2]" 1
1259 1 74 ILE MG 1 75 HIS HB2 3.100 . 4.300 4.494 4.221 4.578 0.278 20 0 "[ . 1 . 2]" 1
1260 1 75 HIS H 1 75 HIS HA 2.700 . 3.600 2.845 2.793 2.875 . 0 0 "[ . 1 . 2]" 1
1261 1 75 HIS H 1 75 HIS HB2 2.800 . 3.800 3.169 2.492 3.365 . 0 0 "[ . 1 . 2]" 1
1262 1 75 HIS H 1 75 HIS HB3 2.700 . 3.600 2.098 2.037 2.474 . 0 0 "[ . 1 . 2]" 1
1263 1 75 HIS H 1 76 LYS H 2.900 . 3.900 2.558 2.448 2.691 . 0 0 "[ . 1 . 2]" 1
1264 1 75 HIS H 1 77 GLU H 3.700 . 5.400 4.522 4.147 4.807 . 0 0 "[ . 1 . 2]" 1
1265 1 75 HIS HA 1 75 HIS HD2 2.700 . 3.600 4.325 2.362 4.510 0.910 5 19 [****+-*************2] 1
1266 1 75 HIS HA 1 76 LYS H 2.500 . 3.300 3.394 3.328 3.470 0.170 13 0 "[ . 1 . 2]" 1
1267 1 75 HIS HA 1 77 GLU H 2.900 . 4.000 4.142 3.941 4.226 0.226 7 0 "[ . 1 . 2]" 1
1268 1 75 HIS HA 1 78 ALA H 3.000 . 4.100 2.983 2.797 3.261 . 0 0 "[ . 1 . 2]" 1
1269 1 75 HIS HA 1 78 ALA MB 2.400 . 3.100 2.194 1.846 2.714 . 0 0 "[ . 1 . 2]" 1
1270 1 75 HIS HA 1 79 GLN H 2.800 . 3.800 3.927 3.574 4.009 0.209 20 0 "[ . 1 . 2]" 1
1271 1 75 HIS HA 1 79 GLN QE 3.600 . 5.200 4.806 4.524 5.153 . 0 0 "[ . 1 . 2]" 1
1272 1 75 HIS HB2 1 75 HIS HD2 3.000 . 4.100 3.918 3.217 3.973 . 0 0 "[ . 1 . 2]" 1
1273 1 75 HIS HB2 1 76 LYS H 3.000 . 4.100 4.416 3.891 4.565 0.465 7 0 "[ . 1 . 2]" 1
1274 1 75 HIS HB3 1 75 HIS HD2 2.800 . 3.800 3.058 2.904 3.845 0.045 20 0 "[ . 1 . 2]" 1
1275 1 75 HIS HB3 1 76 LYS H 2.900 . 4.000 3.500 2.648 3.833 . 0 0 "[ . 1 . 2]" 1
1276 1 75 HIS HD2 1 76 LYS H 3.300 . 4.700 3.256 2.829 4.991 0.291 20 0 "[ . 1 . 2]" 1
1277 1 75 HIS HD2 1 79 GLN QB 3.000 . 4.100 4.006 2.915 4.239 0.139 8 0 "[ . 1 . 2]" 1
1278 1 75 HIS HD2 1 79 GLN QG 3.000 . 4.100 5.286 4.793 5.515 1.415 8 20 [*******+******-*****] 1
1279 1 75 HIS HE1 1 79 GLN QB 2.800 . 3.800 3.451 2.994 3.773 . 0 0 "[ . 1 . 2]" 1
1280 1 75 HIS HE1 1 79 GLN QG 2.800 . 3.800 3.027 2.437 3.819 0.019 2 0 "[ . 1 . 2]" 1
1281 1 75 HIS HE1 1 99 THR HA 3.100 . 4.300 5.916 4.878 6.104 1.804 18 20 [*****************+-*] 1
1282 1 75 HIS HE1 1 100 PRO HA 3.000 . 4.100 5.843 4.914 6.087 1.987 13 20 [*****-******+*******] 1
1283 1 75 HIS HE1 1 100 PRO HD2 3.100 . 4.300 4.085 3.497 4.414 0.114 11 0 "[ . 1 . 2]" 1
1284 1 75 HIS HE1 1 100 PRO HD3 3.200 . 4.500 3.727 2.707 4.171 . 0 0 "[ . 1 . 2]" 1
1285 1 76 LYS H 1 76 LYS HA 2.500 . 3.300 2.808 2.772 2.843 . 0 0 "[ . 1 . 2]" 1
1286 1 76 LYS H 1 76 LYS QB 2.400 . 3.100 2.227 2.081 2.802 . 0 0 "[ . 1 . 2]" 1
1287 1 76 LYS H 1 76 LYS QD 2.900 . 3.900 3.830 3.070 4.132 0.232 2 0 "[ . 1 . 2]" 1
1288 1 76 LYS H 1 76 LYS QG 2.900 . 3.900 3.301 1.755 4.054 0.154 8 0 "[ . 1 . 2]" 1
1289 1 76 LYS H 1 77 GLU H 2.700 . 3.600 2.686 2.503 2.807 . 0 0 "[ . 1 . 2]" 1
1290 1 76 LYS H 1 78 ALA H 3.000 . 4.200 3.781 3.642 4.121 . 0 0 "[ . 1 . 2]" 1
1291 1 76 LYS HA 1 77 GLU H 3.000 . 4.100 3.528 3.487 3.547 . 0 0 "[ . 1 . 2]" 1
1292 1 76 LYS HA 1 78 ALA H 3.000 . 4.100 4.342 4.107 4.393 0.293 17 0 "[ . 1 . 2]" 1
1293 1 76 LYS HA 1 79 GLN H 2.700 . 3.600 3.792 3.521 3.955 0.355 12 0 "[ . 1 . 2]" 1
1294 1 76 LYS HA 1 80 ARG H 3.200 . 4.500 3.899 3.435 4.281 . 0 0 "[ . 1 . 2]" 1
1295 1 76 LYS QB 1 77 GLU H 2.600 . 3.400 2.730 2.280 3.470 0.070 13 0 "[ . 1 . 2]" 1
1296 1 76 LYS QD 1 77 GLU H 3.300 . 4.700 4.088 2.173 4.893 0.193 17 0 "[ . 1 . 2]" 1
1297 1 76 LYS QG 1 77 GLU H 3.300 . 4.700 3.651 2.002 4.509 . 0 0 "[ . 1 . 2]" 1
1298 1 77 GLU H 1 77 GLU HA 2.500 . 3.300 2.886 2.854 2.919 . 0 0 "[ . 1 . 2]" 1
1299 1 77 GLU H 1 77 GLU HB2 2.600 . 3.400 2.350 2.089 2.856 . 0 0 "[ . 1 . 2]" 1
1300 1 77 GLU H 1 77 GLU HB3 2.500 . 3.300 3.199 2.562 3.623 0.323 15 0 "[ . 1 . 2]" 1
1301 1 77 GLU H 1 77 GLU QG 3.000 . 4.100 3.434 1.863 4.101 0.037 2 0 "[ . 1 . 2]" 1
1302 1 77 GLU H 1 78 ALA H 2.700 . 3.600 2.328 2.138 2.492 . 0 0 "[ . 1 . 2]" 1
1303 1 77 GLU H 1 79 GLN H 3.400 . 4.900 3.876 3.783 3.981 . 0 0 "[ . 1 . 2]" 1
1304 1 77 GLU HA 1 78 ALA H 3.200 . 4.400 3.463 3.414 3.500 . 0 0 "[ . 1 . 2]" 1
1305 1 77 GLU HA 1 79 GLN H 3.500 . 5.000 3.855 3.696 4.142 . 0 0 "[ . 1 . 2]" 1
1306 1 77 GLU HA 1 80 ARG H 2.700 . 3.600 3.648 3.102 4.245 0.645 10 2 "[ . + - . 2]" 1
1307 1 77 GLU HA 1 81 ILE H 3.500 . 5.000 4.452 3.899 5.085 0.085 1 0 "[ . 1 . 2]" 1
1308 1 77 GLU HB2 1 78 ALA H 2.900 . 3.900 3.321 2.740 3.921 0.021 3 0 "[ . 1 . 2]" 1
1309 1 77 GLU HB3 1 78 ALA H 2.600 . 3.500 3.330 2.767 4.013 0.513 20 2 "[ - . 1 . +]" 1
1310 1 77 GLU QG 1 78 ALA H 3.200 . 4.500 4.265 3.529 4.595 0.095 17 0 "[ . 1 . 2]" 1
1311 1 78 ALA H 1 78 ALA HA 2.700 . 3.600 2.893 2.862 2.930 . 0 0 "[ . 1 . 2]" 1
1312 1 78 ALA H 1 78 ALA MB 2.300 . 3.000 2.178 2.071 2.287 . 0 0 "[ . 1 . 2]" 1
1313 1 78 ALA H 1 79 GLN H 2.800 . 3.800 2.474 2.323 2.596 . 0 0 "[ . 1 . 2]" 1
1314 1 78 ALA H 1 80 ARG H 3.400 . 4.800 4.078 3.883 4.259 . 0 0 "[ . 1 . 2]" 1
1315 1 78 ALA HA 1 78 ALA MB 2.200 . 2.800 2.101 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
1316 1 78 ALA HA 1 79 GLN H 3.300 . 4.600 3.327 3.252 3.440 . 0 0 "[ . 1 . 2]" 1
1317 1 78 ALA HA 1 80 ARG H 3.500 . 5.100 4.670 4.312 5.022 . 0 0 "[ . 1 . 2]" 1
1318 1 78 ALA HA 1 81 ILE H 3.700 . 5.400 4.395 3.915 4.760 . 0 0 "[ . 1 . 2]" 1
1319 1 78 ALA HA 1 82 ALA H 3.100 . 4.300 5.590 5.173 5.938 1.638 16 20 [***************+***-] 1
1320 1 78 ALA MB 1 79 GLN H 2.600 . 3.400 3.251 2.997 3.394 . 0 0 "[ . 1 . 2]" 1
1321 1 79 GLN H 1 79 GLN HA 2.500 . 3.300 2.941 2.917 2.952 . 0 0 "[ . 1 . 2]" 1
1322 1 79 GLN H 1 79 GLN QB 2.300 . 3.000 2.475 2.340 2.559 . 0 0 "[ . 1 . 2]" 1
1323 1 79 GLN H 1 79 GLN QG 2.700 . 3.600 4.168 4.036 4.246 0.646 7 19 [**-***+************2] 1
1324 1 79 GLN H 1 80 ARG H 2.600 . 3.400 2.041 1.845 2.246 . 0 0 "[ . 1 . 2]" 1
1325 1 79 GLN H 1 81 ILE H 2.900 . 3.900 3.706 3.393 4.019 0.119 3 0 "[ . 1 . 2]" 1
1326 1 79 GLN HA 1 79 GLN QE 3.500 . 5.100 1.880 1.787 1.950 0.113 7 0 "[ . 1 . 2]" 1
1327 1 79 GLN HA 1 80 ARG H 2.900 . 4.000 3.499 3.414 3.547 . 0 0 "[ . 1 . 2]" 1
1328 1 79 GLN HA 1 81 ILE H 3.400 . 4.800 4.030 3.859 4.290 . 0 0 "[ . 1 . 2]" 1
1329 1 79 GLN HA 1 82 ALA H 2.700 . 3.600 3.420 3.241 3.628 0.028 13 0 "[ . 1 . 2]" 1
1330 1 79 GLN HA 1 82 ALA MB 2.100 . 2.700 3.077 2.815 3.355 0.655 7 5 "[ . +* * -*. 2]" 1
1331 1 79 GLN HA 1 83 GLU H 2.900 . 3.900 4.502 4.234 4.912 1.012 12 15 "[** *. *****+**.*-* *]" 1
1332 1 79 GLN QB 1 79 GLN QE 2.700 . 3.600 2.542 1.806 3.048 0.094 20 0 "[ . 1 . 2]" 1
1333 1 79 GLN QB 1 80 ARG H 2.700 . 3.100 2.718 2.485 2.971 . 0 0 "[ . 1 . 2]" 1
1334 1 79 GLN QE 1 79 GLN QG 2.800 . 3.800 2.484 2.224 2.788 . 0 0 "[ . 1 . 2]" 1
1335 1 79 GLN QE 1 82 ALA MB 3.600 . 5.200 3.603 3.295 4.104 . 0 0 "[ . 1 . 2]" 1
1336 1 79 GLN QE 1 83 GLU QG 3.500 . 5.000 4.707 4.474 4.828 . 0 0 "[ . 1 . 2]" 1
1337 1 79 GLN QE 1 89 LEU QD 3.100 . 4.300 2.831 1.956 3.240 . 0 0 "[ . 1 . 2]" 1
1338 1 79 GLN QE 1 89 LEU HG 3.700 . 5.400 5.282 4.365 5.654 0.254 10 0 "[ . 1 . 2]" 1
1339 1 79 GLN QG 1 80 ARG H 3.000 . 4.100 4.144 3.759 4.283 0.183 18 0 "[ . 1 . 2]" 1
1340 1 80 ARG H 1 80 ARG HA 2.500 . 3.300 2.793 2.733 2.833 . 0 0 "[ . 1 . 2]" 1
1341 1 80 ARG H 1 80 ARG HB2 2.400 . 3.100 3.366 2.150 3.612 0.512 6 2 "[ .+ 1 . -]" 1
1342 1 80 ARG H 1 80 ARG HB3 2.400 . 3.100 2.528 2.063 3.600 0.500 10 1 "[ . + . 2]" 1
1343 1 80 ARG H 1 80 ARG QG 2.800 . 3.800 2.645 2.265 3.425 . 0 0 "[ . 1 . 2]" 1
1344 1 80 ARG H 1 81 ILE H 2.500 . 3.300 2.691 2.548 2.851 . 0 0 "[ . 1 . 2]" 1
1345 1 80 ARG H 1 81 ILE MD 3.500 . 5.100 5.290 5.097 5.365 0.265 18 0 "[ . 1 . 2]" 1
1346 1 80 ARG H 1 81 ILE MG 3.600 . 5.200 4.372 4.157 4.657 . 0 0 "[ . 1 . 2]" 1
1347 1 80 ARG H 1 82 ALA H 3.100 . 4.300 4.237 4.095 4.388 0.088 16 0 "[ . 1 . 2]" 1
1348 1 80 ARG HA 1 81 ILE H 3.300 . 4.700 3.476 3.423 3.524 . 0 0 "[ . 1 . 2]" 1
1349 1 80 ARG HA 1 82 ALA H 3.200 . 4.500 4.079 3.901 4.345 . 0 0 "[ . 1 . 2]" 1
1350 1 80 ARG HA 1 83 GLU H 2.400 . 3.100 3.080 2.842 3.177 0.077 19 0 "[ . 1 . 2]" 1
1351 1 80 ARG HA 1 84 SER H 3.200 . 4.400 4.160 3.620 4.543 0.143 13 0 "[ . 1 . 2]" 1
1352 1 80 ARG HB2 1 81 ILE H 2.900 . 3.900 3.927 2.751 4.314 0.414 15 0 "[ . 1 . 2]" 1
1353 1 80 ARG HB3 1 81 ILE H 3.100 . 4.300 3.838 2.908 4.033 . 0 0 "[ . 1 . 2]" 1
1354 1 80 ARG QG 1 81 ILE H 3.100 . 4.300 2.625 1.934 4.250 . 0 0 "[ . 1 . 2]" 1
1355 1 80 ARG QG 1 81 ILE H 2.700 . 3.600 2.357 1.914 3.018 . 0 0 "[ . 1 . 2]" 1
1356 1 80 ARG QG 1 84 SER H 3.000 . 4.200 5.167 4.376 5.758 1.558 18 18 "[** ******* ***-**+**]" 1
1357 1 81 ILE H 1 81 ILE HA 2.900 . 4.000 2.817 2.756 2.849 . 0 0 "[ . 1 . 2]" 1
1358 1 81 ILE H 1 81 ILE MD 2.700 . 3.600 3.621 3.572 3.670 0.070 19 0 "[ . 1 . 2]" 1
1359 1 81 ILE H 1 81 ILE HG13 2.700 . 3.600 1.979 1.904 2.031 . 0 0 "[ . 1 . 2]" 1
1360 1 81 ILE H 1 81 ILE MG 2.900 . 3.900 2.463 2.374 2.611 . 0 0 "[ . 1 . 2]" 1
1361 1 81 ILE H 1 82 ALA H 2.900 . 3.900 2.618 2.478 2.893 . 0 0 "[ . 1 . 2]" 1
1362 1 81 ILE H 1 83 GLU H 3.500 . 5.100 3.848 3.625 4.080 . 0 0 "[ . 1 . 2]" 1
1363 1 81 ILE HA 1 81 ILE MD 2.500 . 3.300 3.787 3.702 3.886 0.586 15 9 "[ * -* * 1 * +** *2]" 1
1364 1 81 ILE HA 1 82 ALA H 3.100 . 4.300 3.510 3.464 3.558 . 0 0 "[ . 1 . 2]" 1
1365 1 81 ILE HA 1 84 SER H 3.500 . 5.000 3.605 3.308 4.079 . 0 0 "[ . 1 . 2]" 1
1366 1 81 ILE HA 1 85 ASN HD21 3.500 . 5.100 4.097 2.695 5.193 0.093 7 0 "[ . 1 . 2]" 1
1367 1 81 ILE HA 1 85 ASN HD22 3.600 . 5.200 4.087 2.780 5.261 0.061 13 0 "[ . 1 . 2]" 1
1368 1 81 ILE HB 1 82 ALA H 2.700 . 3.600 3.707 3.430 3.867 0.267 18 0 "[ . 1 . 2]" 1
1369 1 81 ILE MD 1 82 ALA H 2.600 . 3.500 2.573 2.253 2.818 . 0 0 "[ . 1 . 2]" 1
1370 1 81 ILE MD 1 84 SER H 3.500 . 5.100 4.815 4.059 5.082 . 0 0 "[ . 1 . 2]" 1
1371 1 81 ILE MD 1 85 ASN HD21 2.900 . 4.000 3.839 3.342 4.161 0.161 14 0 "[ . 1 . 2]" 1
1372 1 81 ILE MD 1 85 ASN HD22 3.100 . 4.300 4.321 3.177 4.627 0.327 10 0 "[ . 1 . 2]" 1
1373 1 81 ILE HG12 1 82 ALA H 2.800 . 3.800 3.736 3.551 3.902 0.102 4 0 "[ . 1 . 2]" 1
1374 1 81 ILE HG13 1 82 ALA H 2.900 . 4.000 2.041 1.849 2.196 . 0 0 "[ . 1 . 2]" 1
1375 1 81 ILE MG 1 82 ALA H 3.000 . 4.100 4.001 3.945 4.064 . 0 0 "[ . 1 . 2]" 1
1376 1 82 ALA H 1 82 ALA HA 2.500 . 3.300 2.889 2.873 2.909 . 0 0 "[ . 1 . 2]" 1
1377 1 82 ALA H 1 82 ALA MB 2.300 . 3.000 2.172 2.085 2.276 . 0 0 "[ . 1 . 2]" 1
1378 1 82 ALA H 1 83 GLU H 2.700 . 3.600 2.321 2.169 2.478 . 0 0 "[ . 1 . 2]" 1
1379 1 82 ALA H 1 84 SER H 3.400 . 4.900 3.862 3.747 4.031 . 0 0 "[ . 1 . 2]" 1
1380 1 82 ALA HA 1 83 GLU H 2.700 . 3.600 3.442 3.322 3.541 . 0 0 "[ . 1 . 2]" 1
1381 1 82 ALA HA 1 84 SER H 2.400 . 3.100 3.935 3.435 4.373 1.273 20 17 "[****.******* -****+]" 1
1382 1 82 ALA HA 1 85 ASN H 3.000 . 4.100 3.315 3.009 3.645 . 0 0 "[ . 1 . 2]" 1
1383 1 82 ALA HA 1 85 ASN HB2 3.500 . 5.000 4.045 2.512 5.872 0.872 14 1 "[ . 1 +. 2]" 1
1384 1 82 ALA HA 1 87 ILE H 3.000 . 4.100 3.324 2.653 4.269 0.169 5 0 "[ . 1 . 2]" 1
1385 1 82 ALA MB 1 83 GLU H 2.500 . 3.300 2.884 2.640 3.172 . 0 0 "[ . 1 . 2]" 1
1386 1 83 GLU H 1 83 GLU HA 2.300 . 2.900 2.869 2.837 2.921 0.021 12 0 "[ . 1 . 2]" 1
1387 1 83 GLU H 1 83 GLU HB2 2.400 . 3.100 2.517 2.328 2.749 . 0 0 "[ . 1 . 2]" 1
1388 1 83 GLU H 1 83 GLU HB3 2.500 . 3.300 3.600 3.564 3.669 0.369 12 0 "[ . 1 . 2]" 1
1389 1 83 GLU H 1 83 GLU QG 2.700 . 3.600 2.244 1.813 2.619 . 0 0 "[ . 1 . 2]" 1
1390 1 83 GLU H 1 84 SER H 2.600 . 3.400 2.445 2.150 2.647 . 0 0 "[ . 1 . 2]" 1
1391 1 83 GLU H 1 85 ASN H 3.700 . 5.400 3.973 3.674 4.271 . 0 0 "[ . 1 . 2]" 1
1392 1 83 GLU HA 1 84 SER H 2.800 . 3.800 3.438 3.245 3.529 . 0 0 "[ . 1 . 2]" 1
1393 1 83 GLU HB2 1 84 SER H 2.800 . 3.800 3.064 2.652 3.604 . 0 0 "[ . 1 . 2]" 1
1394 1 83 GLU HB3 1 84 SER H 2.800 . 3.800 4.029 3.573 4.440 0.640 13 1 "[ . 1 + . 2]" 1
1395 1 83 GLU QG 1 84 SER H 3.100 . 4.300 4.105 3.755 4.367 0.067 15 0 "[ . 1 . 2]" 1
1396 1 84 SER H 1 84 SER HA 2.500 . 3.300 2.899 2.851 2.947 . 0 0 "[ . 1 . 2]" 1
1397 1 84 SER H 1 84 SER QB 2.400 . 3.100 2.656 2.340 3.053 . 0 0 "[ . 1 . 2]" 1
1398 1 84 SER H 1 85 ASN H 2.600 . 3.400 2.345 1.993 2.570 . 0 0 "[ . 1 . 2]" 1
1399 1 84 SER HA 1 85 ASN H 3.400 . 4.900 3.481 3.240 3.575 . 0 0 "[ . 1 . 2]" 1
1400 1 84 SER QB 1 85 ASN H 3.000 . 4.100 2.939 2.430 3.599 . 0 0 "[ . 1 . 2]" 1
1401 1 84 SER QB 1 85 ASN HD21 3.500 . 5.000 3.995 3.109 4.784 . 0 0 "[ . 1 . 2]" 1
1402 1 84 SER QB 1 85 ASN HD22 3.600 . 5.200 3.908 2.889 5.301 0.101 13 0 "[ . 1 . 2]" 1
1403 1 85 ASN H 1 85 ASN HA 2.700 . 3.600 2.931 2.872 2.944 . 0 0 "[ . 1 . 2]" 1
1404 1 85 ASN H 1 85 ASN HB2 2.900 . 4.000 3.096 2.297 4.024 0.024 5 0 "[ . 1 . 2]" 1
1405 1 85 ASN H 1 85 ASN HB3 2.900 . 4.000 3.624 2.912 3.856 . 0 0 "[ . 1 . 2]" 1
1406 1 85 ASN H 1 85 ASN HD21 2.700 . 3.600 3.012 2.200 3.610 0.010 9 0 "[ . 1 . 2]" 1
1407 1 85 ASN H 1 85 ASN HD22 3.000 . 4.200 3.898 3.484 4.363 0.163 11 0 "[ . 1 . 2]" 1
1408 1 85 ASN H 1 86 HIS H 3.100 . 4.300 4.294 4.146 4.416 0.116 12 0 "[ . 1 . 2]" 1
1409 1 85 ASN H 1 86 HIS HA 3.200 . 4.500 4.747 4.589 4.849 0.349 1 0 "[ . 1 . 2]" 1
1410 1 85 ASN H 1 87 ILE H 3.000 . 4.100 4.284 3.639 4.444 0.344 9 0 "[ . 1 . 2]" 1
1411 1 85 ASN H 1 87 ILE QG 3.300 . 4.700 4.467 3.914 4.900 0.200 13 0 "[ . 1 . 2]" 1
1412 1 85 ASN H 1 87 ILE MG 3.100 . 4.300 4.253 3.864 4.452 0.152 12 0 "[ . 1 . 2]" 1
1413 1 85 ASN HA 1 85 ASN HD21 3.300 . 4.700 4.190 3.712 4.552 . 0 0 "[ . 1 . 2]" 1
1414 1 85 ASN HA 1 85 ASN HD22 3.700 . 5.400 4.828 4.183 5.160 . 0 0 "[ . 1 . 2]" 1
1415 1 85 ASN HA 1 86 HIS H 3.000 . 4.100 2.470 2.144 2.980 . 0 0 "[ . 1 . 2]" 1
1416 1 85 ASN HB2 1 85 ASN HD21 3.300 . 4.700 2.373 2.100 3.552 . 0 0 "[ . 1 . 2]" 1
1417 1 85 ASN HB2 1 85 ASN HD22 3.700 . 5.400 3.545 3.418 4.083 . 0 0 "[ . 1 . 2]" 1
1418 1 85 ASN HB3 1 85 ASN HD21 3.400 . 4.800 3.250 2.380 3.494 . 0 0 "[ . 1 . 2]" 1
1419 1 85 ASN HD21 1 87 ILE MG 2.900 . 4.000 3.007 1.873 4.195 0.195 13 0 "[ . 1 . 2]" 1
1420 1 85 ASN HD22 1 87 ILE MG 3.100 . 4.300 3.889 1.865 4.510 0.210 12 0 "[ . 1 . 2]" 1
1421 1 86 HIS H 1 86 HIS HA 2.700 . 3.600 2.882 2.842 2.935 . 0 0 "[ . 1 . 2]" 1
1422 1 86 HIS H 1 86 HIS HB2 3.400 . 4.800 2.503 2.077 3.833 . 0 0 "[ . 1 . 2]" 1
1423 1 86 HIS H 1 86 HIS HB3 3.200 . 4.500 3.109 2.435 3.610 . 0 0 "[ . 1 . 2]" 1
1424 1 86 HIS H 1 87 ILE H 3.000 . 4.100 3.389 2.448 4.008 . 0 0 "[ . 1 . 2]" 1
1425 1 86 HIS HA 1 86 HIS HD2 2.900 . 3.900 2.957 1.999 4.177 0.277 8 0 "[ . 1 . 2]" 1
1426 1 86 HIS HA 1 87 ILE H 2.500 . 3.300 2.502 2.223 2.762 . 0 0 "[ . 1 . 2]" 1
1427 1 86 HIS HB2 1 87 ILE H 3.300 . 4.700 4.545 4.321 4.647 . 0 0 "[ . 1 . 2]" 1
1428 1 86 HIS HB3 1 87 ILE H 3.100 . 4.300 4.332 4.153 4.618 0.318 8 0 "[ . 1 . 2]" 1
1429 1 87 ILE H 1 87 ILE HA 3.000 . 4.100 2.865 2.596 2.937 . 0 0 "[ . 1 . 2]" 1
1430 1 87 ILE H 1 87 ILE HB 2.400 . 3.100 3.571 2.169 3.698 0.598 14 17 "[****.****** +*****-]" 1
1431 1 87 ILE H 1 87 ILE MD 2.900 . 4.000 3.848 3.564 4.125 0.125 12 0 "[ . 1 . 2]" 1
1432 1 87 ILE H 1 87 ILE QG 2.500 . 3.300 2.250 1.831 3.456 0.156 12 0 "[ . 1 . 2]" 1
1433 1 87 ILE H 1 87 ILE MG 2.500 . 3.300 2.481 2.194 3.303 0.003 12 0 "[ . 1 . 2]" 1
1434 1 87 ILE H 1 88 LYS H 3.200 . 4.500 4.504 4.330 4.573 0.073 16 0 "[ . 1 . 2]" 1
1435 1 87 ILE HA 1 88 LYS H 2.300 . 3.000 2.451 2.116 2.686 . 0 0 "[ . 1 . 2]" 1
1436 1 87 ILE HB 1 88 LYS H 3.200 . 4.500 2.420 1.870 4.435 0.030 20 0 "[ . 1 . 2]" 1
1437 1 87 ILE MG 1 88 LYS H 2.600 . 3.500 3.575 2.930 3.723 0.223 4 0 "[ . 1 . 2]" 1
1438 1 87 ILE MG 1 89 LEU H 3.600 . 5.200 5.201 2.928 5.505 0.305 7 0 "[ . 1 . 2]" 1
1439 1 88 LYS H 1 88 LYS HA 2.900 . 3.900 2.931 2.889 2.945 . 0 0 "[ . 1 . 2]" 1
1440 1 88 LYS H 1 88 LYS QB 2.600 . 3.400 2.520 2.210 3.150 . 0 0 "[ . 1 . 2]" 1
1441 1 88 LYS H 1 88 LYS HG2 3.600 . 5.200 4.412 2.338 5.033 . 0 0 "[ . 1 . 2]" 1
1442 1 88 LYS H 1 88 LYS HG3 3.300 . 4.600 3.961 1.934 4.598 0.066 18 0 "[ . 1 . 2]" 1
1443 1 88 LYS H 1 89 LEU H 2.700 . 3.600 3.648 3.237 3.816 0.216 16 0 "[ . 1 . 2]" 1
1444 1 88 LYS HA 1 89 LEU H 2.300 . 3.000 2.280 2.174 2.511 . 0 0 "[ . 1 . 2]" 1
1445 1 88 LYS QB 1 89 LEU H 2.900 . 3.900 3.879 3.778 4.003 0.103 9 0 "[ . 1 . 2]" 1
1446 1 88 LYS HG2 1 89 LEU H 3.700 . 5.400 4.886 4.059 5.449 0.049 20 0 "[ . 1 . 2]" 1
1447 1 88 LYS HG3 1 89 LEU H 3.300 . 4.700 4.503 3.659 5.524 0.824 2 3 "[ + - 1 . *2]" 1
1448 1 89 LEU H 1 89 LEU HA 3.000 . 4.200 2.802 2.564 2.956 . 0 0 "[ . 1 . 2]" 1
1449 1 89 LEU H 1 89 LEU HB2 2.800 . 3.800 2.531 2.104 3.361 . 0 0 "[ . 1 . 2]" 1
1450 1 89 LEU H 1 89 LEU HB3 2.600 . 3.400 3.519 3.318 3.863 0.463 5 0 "[ . 1 . 2]" 1
1451 1 89 LEU H 1 89 LEU QD 2.900 . 4.000 3.039 2.039 3.512 . 0 0 "[ . 1 . 2]" 1
1452 1 89 LEU H 1 89 LEU HG 2.400 . 3.100 2.610 1.633 3.179 0.079 2 0 "[ . 1 . 2]" 1
1453 1 89 LEU HA 1 89 LEU QD 2.300 . 3.000 2.425 1.679 3.296 0.296 3 0 "[ . 1 . 2]" 1
1454 1 91 GLY HA2 1 92 SER H 3.200 . 4.500 3.062 2.132 3.551 . 0 0 "[ . 1 . 2]" 1
1455 1 92 SER H 1 92 SER HA 2.900 . 4.000 2.898 2.825 2.947 . 0 0 "[ . 1 . 2]" 1
1456 1 92 SER H 1 92 SER QB 2.900 . 3.900 2.838 2.586 3.203 . 0 0 "[ . 1 . 2]" 1
1457 1 93 ASN HA 1 95 TYR H 3.200 . 4.500 4.092 3.280 4.575 0.075 9 0 "[ . 1 . 2]" 1
1458 1 93 ASN HA 1 96 THR H 3.700 . 5.400 4.570 3.166 5.251 . 0 0 "[ . 1 . 2]" 1
1459 1 93 ASN HB2 1 95 TYR H 3.500 . 5.000 4.671 3.407 5.103 0.103 17 0 "[ . 1 . 2]" 1
1460 1 93 ASN HB2 1 96 THR H 3.400 . 4.800 4.261 3.359 4.905 0.105 3 0 "[ . 1 . 2]" 1
1461 1 93 ASN HB2 1 97 THR MG 3.400 . 4.800 3.864 2.882 5.047 0.247 11 0 "[ . 1 . 2]" 1
1462 1 93 ASN HB3 1 95 TYR H 3.300 . 4.700 4.281 2.950 5.112 0.412 10 0 "[ . 1 . 2]" 1
1463 1 93 ASN HB3 1 96 THR H 3.100 . 4.300 3.730 2.262 4.977 0.677 7 3 "[ . + - * . 2]" 1
1464 1 93 ASN HB3 1 97 THR MG 3.100 . 4.300 4.320 3.433 5.031 0.731 2 4 "[-+ . 1 * * 2]" 1
1465 1 94 PRO HA 1 95 TYR H 3.400 . 4.800 3.550 3.482 3.601 . 0 0 "[ . 1 . 2]" 1
1466 1 94 PRO HA 1 95 TYR QD 3.600 . 5.200 4.599 4.281 5.094 . 0 0 "[ . 1 . 2]" 1
1467 1 94 PRO HA 1 96 THR H 2.500 . 3.300 5.211 4.819 5.684 2.384 12 20 [**********-+********] 1
1468 1 94 PRO QB 1 95 TYR H 2.800 . 3.800 3.018 2.335 3.478 . 0 0 "[ . 1 . 2]" 1
1469 1 94 PRO QB 1 95 TYR QD 2.500 . 3.300 3.015 2.515 3.379 0.079 1 0 "[ . 1 . 2]" 1
1470 1 94 PRO QB 1 95 TYR QE 2.900 . 3.900 3.071 2.594 3.681 . 0 0 "[ . 1 . 2]" 1
1471 1 94 PRO QB 1 96 THR H 2.900 . 3.900 4.850 3.845 5.328 1.428 3 16 "[**+***-* *** *. ****]" 1
1472 1 94 PRO QD 1 95 TYR H 3.100 . 4.300 2.568 2.139 3.157 . 0 0 "[ . 1 . 2]" 1
1473 1 94 PRO QD 1 96 THR H 3.400 . 4.800 3.516 2.812 3.896 . 0 0 "[ . 1 . 2]" 1
1474 1 94 PRO HG2 1 95 TYR H 3.000 . 4.100 2.219 1.886 2.578 0.014 13 0 "[ . 1 . 2]" 1
1475 1 94 PRO HG2 1 95 TYR QD 3.100 . 4.300 3.287 2.877 3.795 . 0 0 "[ . 1 . 2]" 1
1476 1 94 PRO HG2 1 95 TYR QE 3.100 . 4.300 3.616 2.819 4.361 0.061 7 0 "[ . 1 . 2]" 1
1477 1 94 PRO HG2 1 96 THR H 3.100 . 4.300 3.896 2.678 4.439 0.139 11 0 "[ . 1 . 2]" 1
1478 1 94 PRO HG3 1 95 TYR H 3.000 . 4.100 3.748 3.513 3.994 . 0 0 "[ . 1 . 2]" 1
1479 1 94 PRO HG3 1 95 TYR QD 3.400 . 4.800 4.522 4.143 4.909 0.109 12 0 "[ . 1 . 2]" 1
1480 1 94 PRO HG3 1 96 THR H 2.400 . 3.100 2.780 1.761 3.537 0.437 19 0 "[ . 1 . 2]" 1
1481 1 95 TYR H 1 95 TYR HA 2.800 . 3.800 2.935 2.889 2.948 . 0 0 "[ . 1 . 2]" 1
1482 1 95 TYR H 1 95 TYR QB 2.900 . 3.900 2.760 2.452 3.060 . 0 0 "[ . 1 . 2]" 1
1483 1 95 TYR H 1 95 TYR QD 2.800 . 3.800 3.245 2.853 3.603 . 0 0 "[ . 1 . 2]" 1
1484 1 95 TYR H 1 95 TYR QE 3.400 . 4.900 4.574 4.001 5.096 0.196 10 0 "[ . 1 . 2]" 1
1485 1 95 TYR H 1 96 THR H 2.200 . 2.800 2.064 1.665 2.446 . 0 0 "[ . 1 . 2]" 1
1486 1 95 TYR HA 1 95 TYR QD 2.400 . 3.100 2.502 1.938 3.188 0.088 15 0 "[ . 1 . 2]" 1
1487 1 95 TYR HA 1 96 THR H 2.800 . 3.800 3.518 3.401 3.568 . 0 0 "[ . 1 . 2]" 1
1488 1 95 TYR QB 1 95 TYR QD 2.500 . 3.300 2.194 2.129 2.269 . 0 0 "[ . 1 . 2]" 1
1489 1 95 TYR QB 1 96 THR H 2.900 . 4.000 2.595 2.211 3.029 . 0 0 "[ . 1 . 2]" 1
1490 1 95 TYR QD 1 96 THR H 3.100 . 4.300 3.889 3.068 4.323 0.023 8 0 "[ . 1 . 2]" 1
1491 1 96 THR H 1 96 THR HA 2.500 . 3.300 2.913 2.839 2.947 . 0 0 "[ . 1 . 2]" 1
1492 1 96 THR H 1 96 THR HB 2.900 . 3.900 3.033 2.480 3.420 . 0 0 "[ . 1 . 2]" 1
1493 1 96 THR H 1 97 THR H 3.400 . 4.800 4.026 3.687 4.561 . 0 0 "[ . 1 . 2]" 1
1494 1 96 THR H 1 98 VAL H 3.100 . 4.300 5.279 4.727 5.752 1.452 6 18 "[ ****+* ***-********]" 1
1495 1 96 THR H 1 98 VAL QG 3.300 . 4.700 4.737 4.258 4.953 0.253 4 0 "[ . 1 . 2]" 1
1496 1 96 THR HA 1 96 THR MG 2.600 . 3.500 2.733 1.932 3.226 . 0 0 "[ . 1 . 2]" 1
1497 1 96 THR HA 1 97 THR H 3.500 . 5.000 2.293 2.089 2.536 . 0 0 "[ . 1 . 2]" 1
1498 1 96 THR HA 1 98 VAL H 3.300 . 4.700 3.865 3.165 4.733 0.033 8 0 "[ . 1 . 2]" 1
1499 1 96 THR HA 1 98 VAL QG 3.000 . 4.100 3.231 2.400 4.032 . 0 0 "[ . 1 . 2]" 1
1500 1 96 THR MG 1 97 THR H 3.500 . 5.000 3.895 3.105 4.282 . 0 0 "[ . 1 . 2]" 1
1501 1 97 THR H 1 98 VAL H 3.300 . 4.700 2.996 1.973 3.773 . 0 0 "[ . 1 . 2]" 1
1502 1 97 THR HA 1 97 THR MG 2.200 . 2.800 2.169 1.838 2.444 . 0 0 "[ . 1 . 2]" 1
1503 1 97 THR HA 1 98 VAL H 3.000 . 4.200 2.974 2.356 3.508 . 0 0 "[ . 1 . 2]" 1
1504 1 97 THR HB 1 97 THR MG 2.100 . 2.600 2.108 2.087 2.130 . 0 0 "[ . 1 . 2]" 1
1505 1 97 THR HB 1 98 VAL H 3.500 . 5.000 3.507 2.508 4.411 . 0 0 "[ . 1 . 2]" 1
1506 1 97 THR MG 1 98 VAL H 2.700 . 3.600 3.795 3.682 3.970 0.370 20 0 "[ . 1 . 2]" 1
1507 1 98 VAL H 1 98 VAL HA 3.000 . 4.100 2.838 2.698 2.950 . 0 0 "[ . 1 . 2]" 1
1508 1 98 VAL H 1 98 VAL HB 2.600 . 3.500 3.486 2.702 3.827 0.327 19 0 "[ . 1 . 2]" 1
1509 1 98 VAL H 1 98 VAL QG 2.300 . 3.000 1.944 1.586 2.291 0.014 5 0 "[ . 1 . 2]" 1
1510 1 98 VAL HA 1 99 THR H 2.600 . 3.400 2.175 2.109 2.349 . 0 0 "[ . 1 . 2]" 1
1511 1 98 VAL HB 1 99 THR H 3.300 . 4.700 3.672 2.692 4.292 . 0 0 "[ . 1 . 2]" 1
1512 1 98 VAL QG 1 99 THR H 2.800 . 3.700 3.274 2.872 3.684 . 0 0 "[ . 1 . 2]" 1
1513 1 99 THR H 1 99 THR HA 2.900 . 4.000 2.900 2.816 2.943 . 0 0 "[ . 1 . 2]" 1
1514 1 99 THR H 1 99 THR MG 2.500 . 3.300 3.232 2.283 3.491 0.191 10 0 "[ . 1 . 2]" 1
1515 1 99 THR H 1 101 GLN QB 2.800 . 3.800 5.439 4.807 5.762 1.962 9 20 [********+*********-*] 1
1516 1 99 THR H 1 102 ILE H 3.300 . 4.700 3.711 3.198 4.572 . 0 0 "[ . 1 . 2]" 1
1517 1 99 THR H 1 102 ILE HB 3.300 . 4.700 2.339 1.851 4.519 0.049 12 0 "[ . 1 . 2]" 1
1518 1 99 THR H 1 102 ILE MD 2.500 . 3.300 2.966 1.777 3.532 0.232 4 0 "[ . 1 . 2]" 1
1519 1 99 THR H 1 102 ILE MG 2.800 . 3.800 2.868 2.194 3.606 . 0 0 "[ . 1 . 2]" 1
1520 1 99 THR H 1 103 ILE MG 2.900 . 4.000 5.776 5.292 6.057 2.057 11 20 [**********+-********] 1
1521 1 99 THR HA 1 100 PRO HD2 3.000 . 4.200 2.473 2.079 2.969 . 0 0 "[ . 1 . 2]" 1
1522 1 99 THR HA 1 100 PRO HD3 2.900 . 3.900 2.468 2.019 2.725 . 0 0 "[ . 1 . 2]" 1
1523 1 99 THR MG 1 100 PRO HD2 2.800 . 3.800 2.218 1.782 3.496 0.018 16 0 "[ . 1 . 2]" 1
1524 1 99 THR MG 1 100 PRO HD3 2.800 . 3.800 3.217 2.470 3.822 0.022 19 0 "[ . 1 . 2]" 1
1525 1 99 THR MG 1 101 GLN H 3.400 . 4.800 3.810 3.311 4.314 . 0 0 "[ . 1 . 2]" 1
1526 1 99 THR MG 1 102 ILE H 3.100 . 4.300 4.255 3.917 4.431 0.130 13 0 "[ . 1 . 2]" 1
1527 1 100 PRO HA 1 101 GLN H 3.400 . 4.900 3.512 3.137 3.564 . 0 0 "[ . 1 . 2]" 1
1528 1 100 PRO HA 1 102 ILE H 3.500 . 5.100 4.534 4.274 5.092 . 0 0 "[ . 1 . 2]" 1
1529 1 100 PRO HA 1 103 ILE H 3.200 . 4.500 3.713 3.571 4.208 . 0 0 "[ . 1 . 2]" 1
1530 1 100 PRO HA 1 104 ASN H 3.200 . 4.500 4.100 3.924 4.495 . 0 0 "[ . 1 . 2]" 1
1531 1 100 PRO HD2 1 101 GLN H 3.200 . 4.500 3.077 2.559 3.455 . 0 0 "[ . 1 . 2]" 1
1532 1 100 PRO HD3 1 101 GLN H 3.500 . 5.000 4.095 3.838 4.308 . 0 0 "[ . 1 . 2]" 1
1533 1 101 GLN H 1 101 GLN HA 2.900 . 3.900 2.856 2.818 2.950 . 0 0 "[ . 1 . 2]" 1
1534 1 101 GLN H 1 101 GLN QB 2.500 . 3.300 2.229 2.056 2.468 . 0 0 "[ . 1 . 2]" 1
1535 1 101 GLN H 1 101 GLN HG2 3.600 . 5.200 3.845 2.239 4.877 . 0 0 "[ . 1 . 2]" 1
1536 1 101 GLN H 1 101 GLN HG3 3.500 . 5.000 3.886 2.925 4.555 . 0 0 "[ . 1 . 2]" 1
1537 1 101 GLN H 1 102 ILE H 3.200 . 4.500 2.498 2.111 2.631 . 0 0 "[ . 1 . 2]" 1
1538 1 101 GLN H 1 102 ILE HB 3.100 . 4.300 4.362 4.325 4.471 0.171 9 0 "[ . 1 . 2]" 1
1539 1 101 GLN H 1 102 ILE MD 3.200 . 4.500 4.428 4.012 4.906 0.406 9 0 "[ . 1 . 2]" 1
1540 1 101 GLN H 1 103 ILE H 3.300 . 4.600 4.049 3.033 4.278 . 0 0 "[ . 1 . 2]" 1
1541 1 101 GLN H 1 103 ILE MG 3.400 . 4.900 4.744 3.668 4.984 0.084 15 0 "[ . 1 . 2]" 1
1542 1 101 GLN HA 1 102 ILE H 3.200 . 4.500 3.518 3.480 3.554 . 0 0 "[ . 1 . 2]" 1
1543 1 101 GLN HA 1 103 ILE H 3.400 . 4.900 4.354 4.053 4.570 . 0 0 "[ . 1 . 2]" 1
1544 1 101 GLN HA 1 104 ASN H 3.000 . 4.100 3.362 3.252 3.527 . 0 0 "[ . 1 . 2]" 1
1545 1 101 GLN HA 1 104 ASN HB2 2.700 . 3.600 3.068 2.699 3.691 0.091 14 0 "[ . 1 . 2]" 1
1546 1 101 GLN HA 1 104 ASN HB3 2.800 . 3.800 3.267 2.827 3.671 . 0 0 "[ . 1 . 2]" 1
1547 1 101 GLN HA 1 104 ASN HD21 3.400 . 4.900 4.443 3.958 5.021 0.121 2 0 "[ . 1 . 2]" 1
1548 1 101 GLN HA 1 105 SER H 2.500 . 3.300 3.363 3.139 3.517 0.217 9 0 "[ . 1 . 2]" 1
1549 1 101 GLN QB 1 102 ILE H 2.500 . 3.300 2.625 2.333 2.840 . 0 0 "[ . 1 . 2]" 1
1550 1 101 GLN HE21 1 101 GLN HG2 2.900 . 4.000 2.701 2.125 3.559 . 0 0 "[ . 1 . 2]" 1
1551 1 101 GLN HE21 1 101 GLN HG3 3.200 . 4.500 2.722 2.126 3.463 . 0 0 "[ . 1 . 2]" 1
1552 1 101 GLN HE22 1 101 GLN HG2 3.000 . 4.100 3.695 3.439 4.100 0.000 2 0 "[ . 1 . 2]" 1
1553 1 102 ILE H 1 102 ILE HA 2.800 . 3.800 2.795 2.714 2.833 . 0 0 "[ . 1 . 2]" 1
1554 1 102 ILE H 1 102 ILE HB 2.900 . 4.000 2.180 2.074 2.552 . 0 0 "[ . 1 . 2]" 1
1555 1 102 ILE H 1 102 ILE MD 3.000 . 4.100 2.829 2.255 4.071 . 0 0 "[ . 1 . 2]" 1
1556 1 102 ILE H 1 102 ILE QG 3.000 . 4.100 3.375 2.522 3.942 . 0 0 "[ . 1 . 2]" 1
1557 1 102 ILE H 1 102 ILE MG 2.900 . 4.000 3.458 1.925 3.722 . 0 0 "[ . 1 . 2]" 1
1558 1 102 ILE H 1 103 ILE H 3.100 . 4.300 2.723 2.612 2.889 . 0 0 "[ . 1 . 2]" 1
1559 1 102 ILE H 1 104 ASN H 3.700 . 5.400 4.071 3.923 4.230 . 0 0 "[ . 1 . 2]" 1
1560 1 102 ILE HA 1 103 ILE H 3.400 . 4.800 3.542 3.502 3.569 . 0 0 "[ . 1 . 2]" 1
1561 1 102 ILE HA 1 104 ASN H 3.500 . 5.000 4.534 4.376 4.746 . 0 0 "[ . 1 . 2]" 1
1562 1 102 ILE HA 1 105 SER H 3.300 . 4.700 4.084 3.738 4.377 . 0 0 "[ . 1 . 2]" 1
1563 1 102 ILE HA 1 106 LYS H 3.400 . 4.900 4.071 3.771 4.335 . 0 0 "[ . 1 . 2]" 1
1564 1 102 ILE HB 1 103 ILE H 2.900 . 4.000 2.990 2.498 3.981 . 0 0 "[ . 1 . 2]" 1
1565 1 102 ILE MD 1 103 ILE H 3.100 . 4.300 4.371 3.078 4.541 0.241 5 0 "[ . 1 . 2]" 1
1566 1 102 ILE MG 1 106 LYS H 3.400 . 4.800 4.552 4.114 5.072 0.272 9 0 "[ . 1 . 2]" 1
1567 1 103 ILE H 1 103 ILE HB 2.400 . 3.100 2.328 2.070 2.480 . 0 0 "[ . 1 . 2]" 1
1568 1 103 ILE H 1 103 ILE MD 3.200 . 4.500 3.969 3.155 4.173 . 0 0 "[ . 1 . 2]" 1
1569 1 103 ILE H 1 103 ILE QG 2.900 . 4.000 3.972 3.868 4.029 0.029 14 0 "[ . 1 . 2]" 1
1570 1 103 ILE H 1 103 ILE MG 2.600 . 3.500 2.755 2.512 3.143 . 0 0 "[ . 1 . 2]" 1
1571 1 103 ILE H 1 104 ASN H 2.900 . 4.000 2.488 2.276 2.688 . 0 0 "[ . 1 . 2]" 1
1572 1 103 ILE H 1 105 SER H 3.600 . 5.200 4.259 4.008 4.460 . 0 0 "[ . 1 . 2]" 1
1573 1 103 ILE HA 1 106 LYS H 3.600 . 5.200 3.700 3.418 4.185 . 0 0 "[ . 1 . 2]" 1
1574 1 103 ILE HA 1 107 TRP H 3.800 . 5.600 4.108 3.930 4.371 . 0 0 "[ . 1 . 2]" 1
1575 1 103 ILE HB 1 104 ASN H 2.700 . 3.600 3.738 3.450 3.823 0.223 9 0 "[ . 1 . 2]" 1
1576 1 103 ILE MD 1 104 ASN H 3.100 . 4.300 5.076 4.704 5.146 0.846 2 19 "[*+********-******* *]" 1
1577 1 103 ILE QG 1 104 ASN H 3.300 . 4.700 4.293 4.185 4.472 . 0 0 "[ . 1 . 2]" 1
1578 1 103 ILE MG 1 104 ASN H 2.900 . 4.000 2.194 2.013 2.424 . 0 0 "[ . 1 . 2]" 1
1579 1 103 ILE MG 1 107 TRP H 3.300 . 4.600 4.719 4.655 4.757 0.157 14 0 "[ . 1 . 2]" 1
1580 1 104 ASN H 1 104 ASN HA 2.800 . 3.800 2.865 2.844 2.889 . 0 0 "[ . 1 . 2]" 1
1581 1 104 ASN H 1 104 ASN HB2 2.700 . 3.600 2.198 2.119 2.364 . 0 0 "[ . 1 . 2]" 1
1582 1 104 ASN H 1 104 ASN HB3 2.600 . 3.500 3.087 2.800 3.343 . 0 0 "[ . 1 . 2]" 1
1583 1 104 ASN H 1 105 SER H 2.600 . 3.400 2.596 2.451 2.708 . 0 0 "[ . 1 . 2]" 1
1584 1 104 ASN H 1 106 LYS H 3.400 . 4.900 3.850 3.723 4.004 . 0 0 "[ . 1 . 2]" 1
1585 1 104 ASN HA 1 105 SER H 3.200 . 4.500 3.566 3.544 3.585 . 0 0 "[ . 1 . 2]" 1
1586 1 104 ASN HA 1 107 TRP H 3.000 . 4.200 3.466 3.266 3.627 . 0 0 "[ . 1 . 2]" 1
1587 1 104 ASN HA 1 107 TRP HB2 3.400 . 4.800 3.522 3.271 3.666 . 0 0 "[ . 1 . 2]" 1
1588 1 104 ASN HA 1 107 TRP HB3 3.400 . 4.900 2.860 2.615 3.202 . 0 0 "[ . 1 . 2]" 1
1589 1 104 ASN HA 1 107 TRP HD1 2.700 . 3.600 4.914 4.562 5.404 1.804 10 20 [*********+**-*******] 1
1590 1 104 ASN HA 1 107 TRP HE3 3.300 . 4.600 5.957 5.644 6.104 1.504 6 20 [****-+**************] 1
1591 1 104 ASN HA 1 108 GLU H 3.200 . 4.500 4.233 3.852 4.554 0.054 14 0 "[ . 1 . 2]" 1
1592 1 104 ASN HB2 1 104 ASN HD21 3.100 . 4.300 2.583 2.127 3.363 . 0 0 "[ . 1 . 2]" 1
1593 1 104 ASN HB2 1 105 SER H 2.800 . 3.800 3.306 2.954 3.624 . 0 0 "[ . 1 . 2]" 1
1594 1 104 ASN HB3 1 104 ASN HD21 3.000 . 4.100 2.603 2.144 3.373 . 0 0 "[ . 1 . 2]" 1
1595 1 104 ASN HB3 1 104 ASN HD22 3.000 . 4.100 3.648 3.450 4.012 . 0 0 "[ . 1 . 2]" 1
1596 1 104 ASN HB3 1 105 SER H 2.800 . 3.800 2.649 2.391 2.952 . 0 0 "[ . 1 . 2]" 1
1597 1 105 SER H 1 105 SER HA 2.500 . 3.300 2.826 2.779 2.870 . 0 0 "[ . 1 . 2]" 1
1598 1 105 SER H 1 105 SER QB 2.300 . 2.900 2.507 2.309 2.720 . 0 0 "[ . 1 . 2]" 1
1599 1 105 SER H 1 106 LYS H 2.600 . 3.500 2.640 2.476 2.812 . 0 0 "[ . 1 . 2]" 1
1600 1 105 SER H 1 107 TRP H 3.200 . 4.500 4.221 4.082 4.407 . 0 0 "[ . 1 . 2]" 1
1601 1 105 SER HA 1 106 LYS H 3.200 . 4.500 3.517 3.468 3.563 . 0 0 "[ . 1 . 2]" 1
1602 1 105 SER HA 1 107 TRP H 3.600 . 5.200 4.409 4.214 4.705 . 0 0 "[ . 1 . 2]" 1
1603 1 105 SER HA 1 108 GLU H 3.100 . 4.300 3.216 3.039 3.542 . 0 0 "[ . 1 . 2]" 1
1604 1 105 SER HA 1 109 LYS H 3.800 . 5.600 4.144 3.851 4.445 . 0 0 "[ . 1 . 2]" 1
1605 1 105 SER QB 1 106 LYS H 2.500 . 3.300 2.841 2.556 3.380 0.080 13 0 "[ . 1 . 2]" 1
1606 1 106 LYS H 1 106 LYS HA 2.400 . 3.100 2.826 2.798 2.868 . 0 0 "[ . 1 . 2]" 1
1607 1 106 LYS H 1 106 LYS HB2 2.700 . 3.600 2.145 2.075 2.433 . 0 0 "[ . 1 . 2]" 1
1608 1 106 LYS H 1 106 LYS HB3 2.700 . 3.600 3.314 2.661 3.522 . 0 0 "[ . 1 . 2]" 1
1609 1 106 LYS H 1 106 LYS QD 3.300 . 4.700 4.120 2.902 4.698 . 0 0 "[ . 1 . 2]" 1
1610 1 106 LYS H 1 106 LYS QE 3.500 . 5.100 4.977 4.483 5.253 0.153 14 0 "[ . 1 . 2]" 1
1611 1 106 LYS H 1 106 LYS QG 3.100 . 4.300 3.340 2.749 4.023 . 0 0 "[ . 1 . 2]" 1
1612 1 106 LYS H 1 107 TRP H 2.700 . 3.600 2.638 2.495 2.737 . 0 0 "[ . 1 . 2]" 1
1613 1 106 LYS H 1 108 GLU H 4.200 . 6.000 3.582 3.503 3.673 . 0 0 "[ . 1 . 2]" 1
1614 1 106 LYS HA 1 107 TRP H 3.100 . 4.300 3.539 3.515 3.561 . 0 0 "[ . 1 . 2]" 1
1615 1 106 LYS HA 1 108 GLU H 3.000 . 4.200 4.333 4.244 4.380 0.180 13 0 "[ . 1 . 2]" 1
1616 1 106 LYS HA 1 109 LYS H 2.600 . 3.500 3.340 3.046 3.502 0.002 13 0 "[ . 1 . 2]" 1
1617 1 106 LYS HA 1 110 VAL H 3.000 . 4.100 4.204 4.004 4.390 0.290 18 0 "[ . 1 . 2]" 1
1618 1 106 LYS HB2 1 107 TRP H 3.100 . 4.300 3.023 2.660 3.706 . 0 0 "[ . 1 . 2]" 1
1619 1 106 LYS HB3 1 107 TRP H 3.300 . 4.700 2.954 2.476 3.411 . 0 0 "[ . 1 . 2]" 1
1620 1 106 LYS QD 1 107 TRP H 3.600 . 5.200 4.794 4.480 5.123 . 0 0 "[ . 1 . 2]" 1
1621 1 106 LYS QG 1 107 TRP H 3.600 . 5.200 4.325 3.781 4.436 . 0 0 "[ . 1 . 2]" 1
1622 1 107 TRP H 1 107 TRP HA 2.900 . 4.000 2.798 2.777 2.812 . 0 0 "[ . 1 . 2]" 1
1623 1 107 TRP H 1 107 TRP HB2 2.800 . 3.800 2.538 2.439 2.633 . 0 0 "[ . 1 . 2]" 1
1624 1 107 TRP H 1 107 TRP HB3 2.800 . 3.800 2.520 2.455 2.595 . 0 0 "[ . 1 . 2]" 1
1625 1 107 TRP H 1 108 GLU H 2.800 . 3.800 2.696 2.667 2.757 . 0 0 "[ . 1 . 2]" 1
1626 1 107 TRP H 1 109 LYS H 3.500 . 5.100 4.140 3.921 4.308 . 0 0 "[ . 1 . 2]" 1
1627 1 107 TRP HA 1 107 TRP HD1 2.800 . 3.800 4.308 4.236 4.351 0.551 20 13 "[* *.** *1****- **+]" 1
1628 1 107 TRP HA 1 107 TRP HE1 3.700 . 5.400 5.564 5.493 5.629 0.229 20 0 "[ . 1 . 2]" 1
1629 1 107 TRP HA 1 107 TRP HE3 2.600 . 3.400 2.971 2.828 3.093 . 0 0 "[ . 1 . 2]" 1
1630 1 107 TRP HA 1 108 GLU H 3.300 . 4.700 3.530 3.518 3.543 . 0 0 "[ . 1 . 2]" 1
1631 1 107 TRP HA 1 110 VAL H 3.100 . 4.300 3.324 3.247 3.449 . 0 0 "[ . 1 . 2]" 1
1632 1 107 TRP HA 1 110 VAL QG 2.700 . 3.600 2.714 2.449 2.959 . 0 0 "[ . 1 . 2]" 1
1633 1 107 TRP HA 1 111 GLN H 3.600 . 5.200 4.125 3.898 4.267 . 0 0 "[ . 1 . 2]" 1
1634 1 107 TRP HB2 1 107 TRP HD1 2.600 . 3.400 3.800 3.773 3.822 0.422 8 0 "[ . 1 . 2]" 1
1635 1 107 TRP HB2 1 107 TRP HE1 3.400 . 4.800 5.231 5.215 5.246 0.446 8 0 "[ . 1 . 2]" 1
1636 1 107 TRP HB2 1 107 TRP HE3 3.200 . 4.500 2.565 2.530 2.596 . 0 0 "[ . 1 . 2]" 1
1637 1 107 TRP HB2 1 108 GLU H 3.000 . 4.100 3.863 3.760 3.915 . 0 0 "[ . 1 . 2]" 1
1638 1 107 TRP HB3 1 107 TRP HD1 2.700 . 3.600 2.656 2.626 2.686 . 0 0 "[ . 1 . 2]" 1
1639 1 107 TRP HB3 1 107 TRP HE3 2.900 . 3.900 4.090 4.068 4.102 0.202 13 0 "[ . 1 . 2]" 1
1640 1 107 TRP HB3 1 108 GLU H 3.100 . 4.300 2.568 2.461 2.628 . 0 0 "[ . 1 . 2]" 1
1641 1 107 TRP HD1 1 108 GLU H 3.400 . 4.800 3.711 3.493 3.909 . 0 0 "[ . 1 . 2]" 1
1642 1 107 TRP HD1 1 108 GLU HA 2.500 . 3.300 3.330 3.149 3.444 0.144 17 0 "[ . 1 . 2]" 1
1643 1 107 TRP HD1 1 108 GLU HG2 3.000 . 4.100 3.798 3.082 4.550 0.450 10 0 "[ . 1 . 2]" 1
1644 1 107 TRP HD1 1 111 GLN HG2 2.900 . 3.900 3.698 2.922 4.012 0.112 12 0 "[ . 1 . 2]" 1
1645 1 107 TRP HD1 1 111 GLN HG3 2.800 . 3.800 2.954 2.714 3.369 . 0 0 "[ . 1 . 2]" 1
1646 1 107 TRP HE1 1 108 GLU HA 3.300 . 4.700 5.149 4.901 5.421 0.721 10 6 "[ * *- + * . * 2]" 1
1647 1 107 TRP HE1 1 111 GLN QB 3.200 . 4.500 4.627 4.524 4.698 0.198 4 0 "[ . 1 . 2]" 1
1648 1 107 TRP HE1 1 111 GLN HE21 3.200 . 4.500 3.002 2.149 3.923 . 0 0 "[ . 1 . 2]" 1
1649 1 107 TRP HE1 1 111 GLN HE22 3.300 . 4.600 3.290 2.967 4.039 . 0 0 "[ . 1 . 2]" 1
1650 1 107 TRP HE1 1 111 GLN HG2 2.700 . 3.600 3.536 3.318 3.706 0.106 11 0 "[ . 1 . 2]" 1
1651 1 107 TRP HE1 1 111 GLN HG3 2.900 . 3.900 3.049 2.790 3.452 . 0 0 "[ . 1 . 2]" 1
1652 1 107 TRP HE3 1 110 VAL QG 3.100 . 4.100 3.716 3.538 3.858 . 0 0 "[ . 1 . 2]" 1
1653 1 107 TRP HZ2 1 111 GLN HE21 3.000 . 4.100 3.074 2.241 4.067 . 0 0 "[ . 1 . 2]" 1
1654 1 107 TRP HZ2 1 111 GLN HE22 3.100 . 4.300 2.994 2.694 3.521 . 0 0 "[ . 1 . 2]" 1
1655 1 108 GLU H 1 108 GLU HA 2.600 . 3.500 2.796 2.750 2.818 . 0 0 "[ . 1 . 2]" 1
1656 1 108 GLU H 1 108 GLU HB2 2.500 . 3.300 2.104 2.012 2.277 . 0 0 "[ . 1 . 2]" 1
1657 1 108 GLU H 1 108 GLU HB3 2.500 . 3.300 3.367 3.179 3.496 0.196 8 0 "[ . 1 . 2]" 1
1658 1 108 GLU H 1 108 GLU HG2 2.900 . 3.900 3.516 2.479 4.056 0.156 15 0 "[ . 1 . 2]" 1
1659 1 108 GLU H 1 108 GLU HG3 2.900 . 3.900 3.500 2.795 4.098 0.198 3 0 "[ . 1 . 2]" 1
1660 1 108 GLU H 1 109 LYS H 2.700 . 3.600 2.677 2.582 2.827 . 0 0 "[ . 1 . 2]" 1
1661 1 108 GLU H 1 110 VAL H 3.600 . 5.200 4.060 3.945 4.159 . 0 0 "[ . 1 . 2]" 1
1662 1 108 GLU HA 1 109 LYS H 3.100 . 4.300 3.527 3.503 3.548 . 0 0 "[ . 1 . 2]" 1
1663 1 108 GLU HA 1 111 GLN H 3.200 . 4.400 3.447 3.167 3.867 . 0 0 "[ . 1 . 2]" 1
1664 1 108 GLU HA 1 112 GLN H 3.300 . 4.700 4.328 3.988 4.804 0.104 3 0 "[ . 1 . 2]" 1
1665 1 108 GLU HB2 1 109 LYS H 3.000 . 4.100 2.964 2.584 3.276 . 0 0 "[ . 1 . 2]" 1
1666 1 108 GLU HB3 1 109 LYS H 3.000 . 4.200 3.152 2.787 3.454 . 0 0 "[ . 1 . 2]" 1
1667 1 109 LYS H 1 109 LYS HA 2.600 . 3.400 2.835 2.800 2.883 . 0 0 "[ . 1 . 2]" 1
1668 1 109 LYS H 1 109 LYS QB 2.400 . 3.100 2.209 2.038 2.519 . 0 0 "[ . 1 . 2]" 1
1669 1 109 LYS H 1 109 LYS QD 3.300 . 4.700 3.817 2.781 4.510 . 0 0 "[ . 1 . 2]" 1
1670 1 109 LYS H 1 109 LYS HG2 3.100 . 4.300 3.925 2.112 4.678 0.378 12 0 "[ . 1 . 2]" 1
1671 1 109 LYS H 1 109 LYS HG3 3.500 . 5.000 3.721 2.727 4.466 . 0 0 "[ . 1 . 2]" 1
1672 1 109 LYS H 1 110 VAL H 2.700 . 3.600 2.574 2.394 2.690 . 0 0 "[ . 1 . 2]" 1
1673 1 109 LYS H 1 111 GLN H 3.400 . 4.800 4.137 3.987 4.325 . 0 0 "[ . 1 . 2]" 1
1674 1 109 LYS HA 1 110 VAL H 3.000 . 4.100 3.519 3.475 3.545 . 0 0 "[ . 1 . 2]" 1
1675 1 109 LYS HA 1 112 GLN H 3.000 . 4.100 3.486 3.261 3.678 . 0 0 "[ . 1 . 2]" 1
1676 1 109 LYS HA 1 113 LEU H 3.800 . 5.600 4.563 4.292 4.934 . 0 0 "[ . 1 . 2]" 1
1677 1 109 LYS QB 1 110 VAL H 2.600 . 3.500 2.655 2.540 2.858 . 0 0 "[ . 1 . 2]" 1
1678 1 109 LYS HG2 1 110 VAL H 3.200 . 4.500 4.745 4.186 5.247 0.747 5 6 "[ + * 1 -* **2]" 1
1679 1 110 VAL H 1 110 VAL HA 2.700 . 3.600 2.805 2.782 2.845 . 0 0 "[ . 1 . 2]" 1
1680 1 110 VAL H 1 110 VAL HB 2.500 . 3.300 2.356 2.172 2.501 . 0 0 "[ . 1 . 2]" 1
1681 1 110 VAL H 1 110 VAL QG 2.600 . 3.400 2.388 2.149 2.662 . 0 0 "[ . 1 . 2]" 1
1682 1 110 VAL H 1 111 GLN H 2.800 . 3.800 2.705 2.511 2.793 . 0 0 "[ . 1 . 2]" 1
1683 1 110 VAL H 1 112 GLN H 3.000 . 4.100 4.184 3.871 4.349 0.249 5 0 "[ . 1 . 2]" 1
1684 1 110 VAL H 1 113 LEU QD 2.900 . 4.000 4.209 3.844 4.950 0.950 15 2 "[ . 1 -+ 2]" 1
1685 1 110 VAL HA 1 110 VAL QG 2.200 . 2.800 2.138 2.052 2.195 . 0 0 "[ . 1 . 2]" 1
1686 1 110 VAL HA 1 111 GLN H 3.500 . 5.000 3.547 3.530 3.564 . 0 0 "[ . 1 . 2]" 1
1687 1 110 VAL HA 1 113 LEU H 3.200 . 4.500 3.615 3.285 3.861 . 0 0 "[ . 1 . 2]" 1
1688 1 110 VAL HA 1 114 VAL H 3.700 . 5.400 4.841 4.239 5.227 . 0 0 "[ . 1 . 2]" 1
1689 1 110 VAL HB 1 111 GLN H 2.800 . 3.800 2.598 2.513 2.742 . 0 0 "[ . 1 . 2]" 1
1690 1 110 VAL QG 1 111 GLN H 3.100 . 4.300 2.979 2.757 3.157 . 0 0 "[ . 1 . 2]" 1
1691 1 111 GLN H 1 111 GLN HA 2.800 . 3.800 2.802 2.778 2.827 . 0 0 "[ . 1 . 2]" 1
1692 1 111 GLN H 1 111 GLN QB 2.700 . 3.600 2.466 2.353 2.681 . 0 0 "[ . 1 . 2]" 1
1693 1 111 GLN H 1 111 GLN HG2 2.800 . 3.800 2.271 2.004 2.452 . 0 0 "[ . 1 . 2]" 1
1694 1 111 GLN H 1 111 GLN HG3 2.900 . 3.900 3.219 2.768 3.793 . 0 0 "[ . 1 . 2]" 1
1695 1 111 GLN H 1 112 GLN H 2.400 . 3.100 2.724 2.595 2.819 . 0 0 "[ . 1 . 2]" 1
1696 1 111 GLN H 1 113 LEU H 3.000 . 4.100 4.047 3.899 4.142 0.042 12 0 "[ . 1 . 2]" 1
1697 1 111 GLN HA 1 111 GLN HE21 3.600 . 5.200 3.487 2.661 4.483 . 0 0 "[ . 1 . 2]" 1
1698 1 111 GLN HA 1 112 GLN H 3.300 . 4.700 3.521 3.422 3.550 . 0 0 "[ . 1 . 2]" 1
1699 1 111 GLN HA 1 114 VAL H 3.100 . 4.300 3.608 3.353 3.831 . 0 0 "[ . 1 . 2]" 1
1700 1 111 GLN HA 1 114 VAL QG 2.900 . 3.900 2.192 1.928 2.487 . 0 0 "[ . 1 . 2]" 1
1701 1 111 GLN QB 1 111 GLN HE21 3.600 . 5.300 3.615 2.874 3.981 . 0 0 "[ . 1 . 2]" 1
1702 1 111 GLN QB 1 111 GLN HE22 3.500 . 5.000 4.044 3.701 4.283 . 0 0 "[ . 1 . 2]" 1
1703 1 111 GLN QB 1 112 GLN H 2.700 . 3.600 2.579 2.400 2.967 . 0 0 "[ . 1 . 2]" 1
1704 1 111 GLN HE21 1 111 GLN HG2 3.500 . 5.000 2.334 2.120 3.460 . 0 0 "[ . 1 . 2]" 1
1705 1 111 GLN HE21 1 111 GLN HG3 3.000 . 4.100 3.068 2.229 3.470 . 0 0 "[ . 1 . 2]" 1
1706 1 111 GLN HE22 1 111 GLN HG3 3.000 . 4.100 3.858 3.470 4.063 . 0 0 "[ . 1 . 2]" 1
1707 1 111 GLN HG2 1 112 GLN H 3.100 . 4.300 4.368 3.922 4.492 0.192 10 0 "[ . 1 . 2]" 1
1708 1 111 GLN HG3 1 112 GLN H 3.300 . 4.600 4.693 4.418 4.935 0.335 5 0 "[ . 1 . 2]" 1
1709 1 112 GLN H 1 112 GLN HA 2.600 . 3.400 2.866 2.821 2.897 . 0 0 "[ . 1 . 2]" 1
1710 1 112 GLN H 1 112 GLN HB2 2.600 . 3.500 3.606 3.455 3.660 0.160 4 0 "[ . 1 . 2]" 1
1711 1 112 GLN H 1 112 GLN HB3 2.600 . 3.400 2.561 2.178 2.916 . 0 0 "[ . 1 . 2]" 1
1712 1 112 GLN H 1 112 GLN HG2 2.700 . 3.600 2.719 2.103 3.553 . 0 0 "[ . 1 . 2]" 1
1713 1 112 GLN H 1 112 GLN HG3 2.700 . 3.600 2.998 1.842 3.843 0.243 14 0 "[ . 1 . 2]" 1
1714 1 112 GLN H 1 113 LEU H 2.700 . 3.600 2.522 2.344 2.667 . 0 0 "[ . 1 . 2]" 1
1715 1 112 GLN H 1 113 LEU QD 3.300 . 4.600 4.561 4.419 4.609 0.009 17 0 "[ . 1 . 2]" 1
1716 1 112 GLN H 1 113 LEU HG 3.600 . 5.200 5.000 4.511 5.403 0.203 11 0 "[ . 1 . 2]" 1
1717 1 112 GLN H 1 114 VAL H 2.900 . 3.900 3.993 3.727 4.092 0.192 6 0 "[ . 1 . 2]" 1
1718 1 112 GLN HA 1 113 LEU H 2.700 . 3.600 2.753 2.732 2.776 . 0 0 "[ . 1 . 2]" 1
1719 1 112 GLN HA 1 114 VAL H 3.200 . 4.400 3.151 3.069 3.309 . 0 0 "[ . 1 . 2]" 1
1720 1 112 GLN HB2 1 112 GLN HE21 3.500 . 5.100 3.515 2.471 4.171 . 0 0 "[ . 1 . 2]" 1
1721 1 112 GLN HB2 1 112 GLN HE22 3.600 . 5.200 4.076 3.484 4.485 . 0 0 "[ . 1 . 2]" 1
1722 1 112 GLN HB2 1 113 LEU H 3.200 . 4.500 4.199 3.922 4.444 . 0 0 "[ . 1 . 2]" 1
1723 1 112 GLN HB3 1 112 GLN HE21 3.400 . 4.800 3.669 1.881 4.633 0.119 12 0 "[ . 1 . 2]" 1
1724 1 112 GLN HB3 1 112 GLN HE22 3.700 . 5.400 4.510 3.288 5.245 . 0 0 "[ . 1 . 2]" 1
1725 1 112 GLN HB3 1 113 LEU H 3.100 . 4.300 4.136 3.525 4.452 0.152 6 0 "[ . 1 . 2]" 1
1726 1 112 GLN HE21 1 112 GLN HG2 2.900 . 3.900 3.003 2.141 3.566 . 0 0 "[ . 1 . 2]" 1
1727 1 112 GLN HE21 1 112 GLN HG3 3.100 . 4.300 2.666 2.102 3.553 . 0 0 "[ . 1 . 2]" 1
1728 1 112 GLN HE22 1 112 GLN HG2 3.100 . 4.300 3.831 3.458 4.099 . 0 0 "[ . 1 . 2]" 1
1729 1 112 GLN HE22 1 112 GLN HG3 3.500 . 5.000 3.688 3.435 4.103 . 0 0 "[ . 1 . 2]" 1
1730 1 112 GLN HG3 1 113 LEU H 3.400 . 4.800 2.931 2.413 3.447 . 0 0 "[ . 1 . 2]" 1
1731 1 113 LEU H 1 113 LEU HB2 3.000 . 4.100 2.249 2.157 2.415 . 0 0 "[ . 1 . 2]" 1
1732 1 113 LEU H 1 113 LEU HB3 2.700 . 3.600 3.517 3.447 3.638 0.038 15 0 "[ . 1 . 2]" 1
1733 1 113 LEU H 1 113 LEU QD 2.600 . 3.400 3.308 3.185 3.451 0.051 4 0 "[ . 1 . 2]" 1
1734 1 113 LEU H 1 113 LEU HG 3.000 . 4.100 3.242 2.968 3.538 . 0 0 "[ . 1 . 2]" 1
1735 1 113 LEU H 1 114 VAL H 2.900 . 4.000 2.275 2.102 2.451 . 0 0 "[ . 1 . 2]" 1
1736 1 113 LEU HA 1 117 ARG H 3.400 . 4.800 4.133 3.697 4.647 . 0 0 "[ . 1 . 2]" 1
1737 1 113 LEU HB2 1 114 VAL H 3.000 . 4.200 3.340 3.040 3.494 . 0 0 "[ . 1 . 2]" 1
1738 1 113 LEU HB3 1 114 VAL H 3.100 . 4.300 3.861 3.714 4.103 . 0 0 "[ . 1 . 2]" 1
1739 1 113 LEU QD 1 114 VAL H 3.200 . 4.500 4.383 4.227 4.461 . 0 0 "[ . 1 . 2]" 1
1740 1 114 VAL H 1 114 VAL HA 2.800 . 3.800 2.806 2.773 2.830 . 0 0 "[ . 1 . 2]" 1
1741 1 114 VAL H 1 114 VAL HB 2.800 . 3.800 2.465 2.230 2.740 . 0 0 "[ . 1 . 2]" 1
1742 1 114 VAL H 1 114 VAL QG 2.600 . 3.400 2.295 2.130 2.542 . 0 0 "[ . 1 . 2]" 1
1743 1 114 VAL H 1 115 PRO HD2 2.900 . 4.000 2.480 2.036 2.820 . 0 0 "[ . 1 . 2]" 1
1744 1 114 VAL H 1 115 PRO HD3 2.900 . 4.000 2.903 2.478 3.369 . 0 0 "[ . 1 . 2]" 1
1745 1 114 VAL HA 1 114 VAL QG 2.300 . 2.900 2.095 2.025 2.158 . 0 0 "[ . 1 . 2]" 1
1746 1 114 VAL HA 1 117 ARG H 3.400 . 4.900 3.798 3.597 3.953 . 0 0 "[ . 1 . 2]" 1
1747 1 114 VAL HA 1 118 ASP H 3.500 . 5.100 4.127 4.006 4.284 . 0 0 "[ . 1 . 2]" 1
1748 1 114 VAL MG1 1 114 VAL MG2 2.000 . 2.500 2.003 1.903 2.072 . 0 0 "[ . 1 . 2]" 1
1749 1 115 PRO HA 1 117 ARG H 3.600 . 5.200 4.641 4.347 4.918 . 0 0 "[ . 1 . 2]" 1
1750 1 115 PRO HA 1 118 ASP H 2.900 . 4.000 3.347 3.201 3.522 . 0 0 "[ . 1 . 2]" 1
1751 1 115 PRO HA 1 118 ASP HB2 2.900 . 3.900 2.407 1.891 3.292 0.009 20 0 "[ . 1 . 2]" 1
1752 1 115 PRO HA 1 118 ASP HB3 2.900 . 3.900 2.737 2.070 3.322 . 0 0 "[ . 1 . 2]" 1
1753 1 115 PRO HA 1 119 HIS H 3.200 . 4.500 4.084 3.823 4.360 . 0 0 "[ . 1 . 2]" 1
1754 1 116 LYS H 1 116 LYS QB 2.900 . 4.000 2.205 2.037 2.560 . 0 0 "[ . 1 . 2]" 1
1755 1 116 LYS H 1 116 LYS QD 3.300 . 4.700 4.009 2.772 4.570 . 0 0 "[ . 1 . 2]" 1
1756 1 116 LYS H 1 116 LYS QG 3.300 . 4.700 3.350 1.992 4.015 . 0 0 "[ . 1 . 2]" 1
1757 1 116 LYS H 1 117 ARG H 2.900 . 4.000 2.734 2.628 2.846 . 0 0 "[ . 1 . 2]" 1
1758 1 116 LYS H 1 118 ASP H 3.500 . 5.100 3.823 3.616 4.141 . 0 0 "[ . 1 . 2]" 1
1759 1 116 LYS HA 1 117 ARG H 3.200 . 4.500 3.550 3.517 3.564 . 0 0 "[ . 1 . 2]" 1
1760 1 116 LYS HA 1 118 ASP H 3.500 . 5.000 4.383 4.181 4.582 . 0 0 "[ . 1 . 2]" 1
1761 1 116 LYS HA 1 119 HIS H 3.400 . 4.900 3.595 3.362 3.799 . 0 0 "[ . 1 . 2]" 1
1762 1 116 LYS HA 1 120 ALA H 2.600 . 3.400 4.337 3.964 4.844 1.444 7 20 [******+******-******] 1
1763 1 116 LYS QB 1 117 ARG H 2.800 . 3.800 2.440 2.171 3.484 . 0 0 "[ . 1 . 2]" 1
1764 1 117 ARG H 1 117 ARG HA 2.800 . 3.700 2.838 2.817 2.867 . 0 0 "[ . 1 . 2]" 1
1765 1 117 ARG H 1 117 ARG HB2 2.800 . 3.800 2.768 2.617 3.004 . 0 0 "[ . 1 . 2]" 1
1766 1 117 ARG H 1 117 ARG HB3 2.600 . 3.400 2.307 2.111 2.427 . 0 0 "[ . 1 . 2]" 1
1767 1 117 ARG H 1 117 ARG QD 3.200 . 4.500 4.414 4.238 4.576 0.076 11 0 "[ . 1 . 2]" 1
1768 1 117 ARG H 1 117 ARG QG 3.000 . 4.100 3.903 3.697 3.989 . 0 0 "[ . 1 . 2]" 1
1769 1 117 ARG H 1 118 ASP H 2.900 . 4.000 2.541 2.453 2.634 . 0 0 "[ . 1 . 2]" 1
1770 1 117 ARG H 1 118 ASP H 2.600 . 3.500 2.284 2.223 2.378 . 0 0 "[ . 1 . 2]" 1
1771 1 117 ARG HA 1 118 ASP H 2.700 . 3.600 3.487 3.438 3.517 . 0 0 "[ . 1 . 2]" 1
1772 1 117 ARG HA 1 119 HIS H 2.800 . 3.800 3.946 3.918 3.975 0.175 6 0 "[ . 1 . 2]" 1
1773 1 117 ARG HA 1 120 ALA H 2.500 . 3.300 3.228 3.079 3.339 0.039 6 0 "[ . 1 . 2]" 1
1774 1 117 ARG HA 1 120 ALA MB 2.200 . 2.800 2.475 2.117 2.708 . 0 0 "[ . 1 . 2]" 1
1775 1 117 ARG HA 1 121 LEU H 3.000 . 4.100 3.881 3.546 4.151 0.051 6 0 "[ . 1 . 2]" 1
1776 1 117 ARG HA 1 121 LEU QD 2.900 . 4.000 3.982 3.929 4.038 0.038 6 0 "[ . 1 . 2]" 1
1777 1 117 ARG HB2 1 118 ASP H 3.200 . 4.500 4.091 3.973 4.231 . 0 0 "[ . 1 . 2]" 1
1778 1 117 ARG HB3 1 118 ASP H 2.900 . 3.900 2.864 2.648 3.076 . 0 0 "[ . 1 . 2]" 1
1779 1 117 ARG QD 1 121 LEU QD 2.800 . 3.800 2.786 2.280 3.260 . 0 0 "[ . 1 . 2]" 1
1780 1 117 ARG QG 1 118 ASP H 3.400 . 4.800 3.488 2.990 3.786 . 0 0 "[ . 1 . 2]" 1
1781 1 117 ARG QG 1 121 LEU QD 2.800 . 2.800 1.761 1.725 1.824 0.075 4 0 "[ . 1 . 2]" 1
1782 1 118 ASP H 1 118 ASP HA 2.600 . 3.500 2.818 2.782 2.839 . 0 0 "[ . 1 . 2]" 1
1783 1 118 ASP H 1 118 ASP HB2 2.800 . 3.800 2.171 2.037 2.626 . 0 0 "[ . 1 . 2]" 1
1784 1 118 ASP H 1 118 ASP HB3 2.800 . 3.800 3.033 2.407 3.287 . 0 0 "[ . 1 . 2]" 1
1785 1 118 ASP H 1 119 HIS H 3.100 . 4.300 2.590 2.479 2.734 . 0 0 "[ . 1 . 2]" 1
1786 1 118 ASP H 1 120 ALA H 3.000 . 4.100 4.193 4.107 4.259 0.159 19 0 "[ . 1 . 2]" 1
1787 1 118 ASP HA 1 119 HIS H 2.700 . 3.600 3.485 3.458 3.524 . 0 0 "[ . 1 . 2]" 1
1788 1 118 ASP HA 1 120 ALA H 2.900 . 3.900 4.644 4.392 4.896 0.996 14 19 "[****** ***-**+******]" 1
1789 1 118 ASP HA 1 121 LEU H 3.200 . 4.500 3.702 3.435 4.086 . 0 0 "[ . 1 . 2]" 1
1790 1 118 ASP HA 1 122 LEU H 2.900 . 4.000 4.133 3.907 4.228 0.228 14 0 "[ . 1 . 2]" 1
1791 1 118 ASP HB2 1 119 HIS H 3.100 . 4.300 3.500 3.204 4.088 . 0 0 "[ . 1 . 2]" 1
1792 1 118 ASP HB3 1 119 HIS H 3.100 . 4.300 2.983 2.799 3.204 . 0 0 "[ . 1 . 2]" 1
1793 1 119 HIS H 1 119 HIS HA 2.600 . 3.500 2.882 2.848 2.910 . 0 0 "[ . 1 . 2]" 1
1794 1 119 HIS H 1 119 HIS QB 2.400 . 3.100 2.278 2.167 2.351 . 0 0 "[ . 1 . 2]" 1
1795 1 119 HIS H 1 120 ALA H 2.800 . 3.800 2.427 2.305 2.582 . 0 0 "[ . 1 . 2]" 1
1796 1 119 HIS H 1 121 LEU H 3.600 . 5.200 3.843 3.739 3.958 . 0 0 "[ . 1 . 2]" 1
1797 1 119 HIS HA 1 119 HIS HD2 2.900 . 4.000 3.702 2.802 4.091 0.091 5 0 "[ . 1 . 2]" 1
1798 1 119 HIS HA 1 120 ALA H 2.700 . 3.600 3.529 3.483 3.545 . 0 0 "[ . 1 . 2]" 1
1799 1 119 HIS HA 1 121 LEU H 3.000 . 4.100 4.301 4.164 4.347 0.247 1 0 "[ . 1 . 2]" 1
1800 1 119 HIS HA 1 122 LEU H 2.800 . 3.800 3.542 3.284 3.809 0.009 3 0 "[ . 1 . 2]" 1
1801 1 119 HIS HA 1 123 GLU H 3.300 . 4.700 4.117 3.757 4.724 0.024 8 0 "[ . 1 . 2]" 1
1802 1 119 HIS QB 1 119 HIS HD2 2.600 . 3.400 2.882 2.709 3.260 . 0 0 "[ . 1 . 2]" 1
1803 1 119 HIS QB 1 120 ALA H 2.500 . 3.300 2.520 2.365 2.766 . 0 0 "[ . 1 . 2]" 1
1804 1 119 HIS HD2 1 120 ALA H 3.500 . 5.000 4.296 3.809 4.814 . 0 0 "[ . 1 . 2]" 1
1805 1 119 HIS HD2 1 120 ALA HA 3.000 . 4.100 3.778 3.209 4.339 0.239 19 0 "[ . 1 . 2]" 1
1806 1 120 ALA H 1 120 ALA HA 2.400 . 3.100 2.812 2.791 2.852 . 0 0 "[ . 1 . 2]" 1
1807 1 120 ALA H 1 120 ALA MB 2.200 . 2.800 2.130 2.021 2.237 . 0 0 "[ . 1 . 2]" 1
1808 1 120 ALA H 1 121 LEU H 2.800 . 3.800 2.645 2.514 2.731 . 0 0 "[ . 1 . 2]" 1
1809 1 120 ALA H 1 122 LEU H 3.200 . 4.500 4.328 4.130 4.480 . 0 0 "[ . 1 . 2]" 1
1810 1 120 ALA HA 1 120 ALA MB 2.000 . 2.500 2.108 2.085 2.130 . 0 0 "[ . 1 . 2]" 1
1811 1 120 ALA HA 1 121 LEU H 3.200 . 4.400 3.521 3.498 3.540 . 0 0 "[ . 1 . 2]" 1
1812 1 120 ALA HA 1 123 GLU H 2.900 . 3.900 3.654 3.298 3.894 . 0 0 "[ . 1 . 2]" 1
1813 1 120 ALA HA 1 124 GLU H 3.500 . 5.100 4.180 3.693 4.737 . 0 0 "[ . 1 . 2]" 1
1814 1 120 ALA MB 1 121 LEU H 2.500 . 3.300 2.672 2.546 2.808 . 0 0 "[ . 1 . 2]" 1
1815 1 121 LEU H 1 121 LEU HA 2.900 . 3.900 2.826 2.807 2.845 . 0 0 "[ . 1 . 2]" 1
1816 1 121 LEU H 1 121 LEU HB2 2.400 . 3.100 2.330 2.227 2.467 . 0 0 "[ . 1 . 2]" 1
1817 1 121 LEU H 1 121 LEU HB3 2.900 . 3.900 3.554 3.517 3.590 . 0 0 "[ . 1 . 2]" 1
1818 1 121 LEU H 1 121 LEU QD 2.900 . 3.900 3.181 3.031 3.348 . 0 0 "[ . 1 . 2]" 1
1819 1 121 LEU H 1 121 LEU HG 2.900 . 3.900 2.603 2.321 2.829 . 0 0 "[ . 1 . 2]" 1
1820 1 121 LEU H 1 122 LEU H 2.700 . 3.600 2.689 2.627 2.801 . 0 0 "[ . 1 . 2]" 1
1821 1 121 LEU H 1 123 GLU H 3.400 . 4.800 4.037 3.814 4.248 . 0 0 "[ . 1 . 2]" 1
1822 1 121 LEU HA 1 121 LEU QD 2.800 . 3.100 2.273 1.968 2.478 . 0 0 "[ . 1 . 2]" 1
1823 1 121 LEU HA 1 122 LEU H 3.100 . 4.300 3.554 3.537 3.567 . 0 0 "[ . 1 . 2]" 1
1824 1 121 LEU HA 1 124 GLU H 3.000 . 4.100 3.598 3.274 3.966 . 0 0 "[ . 1 . 2]" 1
1825 1 121 LEU HA 1 125 GLN H 3.000 . 4.100 3.924 3.738 4.177 0.077 18 0 "[ . 1 . 2]" 1
1826 1 121 LEU HB2 1 122 LEU H 2.700 . 3.600 2.498 2.368 2.602 . 0 0 "[ . 1 . 2]" 1
1827 1 121 LEU HB3 1 122 LEU H 3.000 . 4.100 3.297 3.134 3.527 . 0 0 "[ . 1 . 2]" 1
1828 1 121 LEU QD 1 122 LEU H 3.200 . 4.500 3.967 3.883 4.045 . 0 0 "[ . 1 . 2]" 1
1829 1 121 LEU HG 1 122 LEU H 3.200 . 4.500 4.519 4.351 4.626 0.126 3 0 "[ . 1 . 2]" 1
1830 1 122 LEU H 1 122 LEU HA 2.700 . 3.600 2.826 2.788 2.876 . 0 0 "[ . 1 . 2]" 1
1831 1 122 LEU H 1 122 LEU HB2 2.500 . 3.300 2.117 2.053 2.319 . 0 0 "[ . 1 . 2]" 1
1832 1 122 LEU H 1 122 LEU HB3 2.600 . 3.400 3.302 2.762 3.527 0.127 6 0 "[ . 1 . 2]" 1
1833 1 122 LEU H 1 122 LEU QD 2.700 . 3.600 3.058 2.467 3.669 0.069 19 0 "[ . 1 . 2]" 1
1834 1 122 LEU H 1 123 GLU H 2.800 . 3.800 2.692 2.556 2.838 . 0 0 "[ . 1 . 2]" 1
1835 1 122 LEU H 1 124 GLU H 2.500 . 3.300 4.206 3.919 4.505 1.205 16 20 [*****-*********+****] 1
1836 1 122 LEU HA 1 123 GLU H 3.000 . 4.100 3.482 3.176 3.558 . 0 0 "[ . 1 . 2]" 1
1837 1 122 LEU HA 1 124 GLU H 2.600 . 3.400 2.811 2.787 2.850 . 0 0 "[ . 1 . 2]" 1
1838 1 122 LEU HA 1 125 GLN H 2.600 . 3.500 3.508 3.243 3.653 0.153 9 0 "[ . 1 . 2]" 1
1839 1 122 LEU HA 1 126 SER H 2.900 . 3.900 4.072 3.897 4.165 0.265 10 0 "[ . 1 . 2]" 1
1840 1 122 LEU HB2 1 123 GLU H 2.900 . 3.900 3.256 2.762 3.903 0.003 8 0 "[ . 1 . 2]" 1
1841 1 122 LEU HB3 1 123 GLU H 2.800 . 3.800 3.195 2.582 3.975 0.175 9 0 "[ . 1 . 2]" 1
1842 1 122 LEU QD 1 123 GLU H 3.200 . 4.500 4.036 3.703 4.203 . 0 0 "[ . 1 . 2]" 1
1843 1 122 LEU QD 1 126 SER H 3.400 . 4.900 4.599 3.880 5.038 0.138 1 0 "[ . 1 . 2]" 1
1844 1 123 GLU H 1 123 GLU HA 2.500 . 3.300 2.836 2.788 2.940 . 0 0 "[ . 1 . 2]" 1
1845 1 123 GLU H 1 123 GLU QB 2.300 . 3.000 2.195 2.046 2.614 . 0 0 "[ . 1 . 2]" 1
1846 1 123 GLU H 1 123 GLU QG 3.000 . 4.100 3.522 2.094 4.147 0.047 9 0 "[ . 1 . 2]" 1
1847 1 123 GLU H 1 124 GLU H 2.700 . 3.600 2.566 1.983 2.824 . 0 0 "[ . 1 . 2]" 1
1848 1 123 GLU H 1 125 GLN H 3.100 . 4.300 4.088 3.402 4.390 0.090 17 0 "[ . 1 . 2]" 1
1849 1 123 GLU HA 1 124 GLU H 2.800 . 3.800 3.521 3.351 3.567 . 0 0 "[ . 1 . 2]" 1
1850 1 123 GLU HA 1 125 GLN H 2.900 . 4.000 4.668 4.423 4.931 0.931 13 18 "[*****-* *1**+*******]" 1
1851 1 123 GLU HA 1 126 SER H 2.200 . 2.800 3.788 3.394 4.319 1.519 13 20 [*****-******+*******] 1
1852 1 123 GLU HA 1 127 LYS H 2.800 . 3.800 3.152 2.764 3.530 . 0 0 "[ . 1 . 2]" 1
1853 1 124 GLU H 1 124 GLU HB2 2.500 . 3.300 2.227 2.052 2.872 . 0 0 "[ . 1 . 2]" 1
1854 1 124 GLU H 1 124 GLU HB3 2.400 . 3.100 3.132 2.204 3.523 0.423 12 0 "[ . 1 . 2]" 1
1855 1 124 GLU H 1 124 GLU QG 2.800 . 3.800 3.525 2.535 4.004 0.204 16 0 "[ . 1 . 2]" 1
1856 1 124 GLU H 1 125 GLN H 2.700 . 3.600 2.547 2.224 2.731 . 0 0 "[ . 1 . 2]" 1
1857 1 124 GLU H 1 126 SER H 3.400 . 4.800 3.895 3.547 4.087 . 0 0 "[ . 1 . 2]" 1
1858 1 124 GLU HA 1 125 GLN H 2.600 . 3.500 3.546 3.514 3.565 0.065 17 0 "[ . 1 . 2]" 1
1859 1 124 GLU HA 1 126 SER H 2.900 . 3.900 4.072 4.018 4.121 0.221 8 0 "[ . 1 . 2]" 1
1860 1 124 GLU HA 1 127 LYS H 3.000 . 4.200 3.437 3.150 3.802 . 0 0 "[ . 1 . 2]" 1
1861 1 124 GLU HB2 1 125 GLN H 2.700 . 3.600 3.209 2.785 4.027 0.427 18 0 "[ . 1 . 2]" 1
1862 1 124 GLU HB3 1 125 GLN H 2.300 . 3.000 2.241 2.102 2.377 . 0 0 "[ . 1 . 2]" 1
1863 1 124 GLU QG 1 125 GLN H 2.600 . 3.400 4.259 3.024 4.640 1.240 9 16 "[* ******+**-*** * *2]" 1
1864 1 125 GLN H 1 125 GLN HA 2.600 . 3.400 2.827 2.789 2.853 . 0 0 "[ . 1 . 2]" 1
1865 1 125 GLN H 1 125 GLN HG2 2.600 . 3.400 2.872 2.531 3.392 . 0 0 "[ . 1 . 2]" 1
1866 1 125 GLN H 1 125 GLN HG3 2.500 . 3.300 3.180 2.716 3.668 0.368 10 0 "[ . 1 . 2]" 1
1867 1 125 GLN H 1 126 SER H 2.700 . 3.600 2.604 2.516 2.737 . 0 0 "[ . 1 . 2]" 1
1868 1 125 GLN H 1 127 LYS H 3.500 . 5.100 3.999 3.837 4.473 . 0 0 "[ . 1 . 2]" 1
1869 1 125 GLN HA 1 126 SER H 2.900 . 3.900 3.471 3.430 3.499 . 0 0 "[ . 1 . 2]" 1
1870 1 125 GLN HA 1 127 LYS H 3.600 . 5.200 3.773 3.564 4.113 . 0 0 "[ . 1 . 2]" 1
1871 1 125 GLN HA 1 128 GLN H 3.200 . 4.500 3.451 3.017 3.704 . 0 0 "[ . 1 . 2]" 1
1872 1 125 GLN HA 1 129 GLN H 3.700 . 5.400 5.190 4.109 5.678 0.278 9 0 "[ . 1 . 2]" 1
1873 1 125 GLN QB 1 125 GLN QE 3.500 . 5.000 2.044 1.850 2.311 0.150 17 0 "[ . 1 . 2]" 1
1874 1 125 GLN QB 1 126 SER H 2.900 . 3.900 3.590 3.473 3.687 . 0 0 "[ . 1 . 2]" 1
1875 1 125 GLN QE 1 125 GLN HG2 2.500 . 3.300 2.667 2.438 2.821 . 0 0 "[ . 1 . 2]" 1
1876 1 125 GLN QE 1 125 GLN HG3 3.300 . 4.600 3.331 3.293 3.348 . 0 0 "[ . 1 . 2]" 1
1877 1 125 GLN HG2 1 126 SER H 3.100 . 4.300 3.382 2.440 3.701 . 0 0 "[ . 1 . 2]" 1
1878 1 125 GLN HG3 1 126 SER H 2.800 . 3.800 2.406 2.094 2.733 . 0 0 "[ . 1 . 2]" 1
1879 1 126 SER H 1 126 SER HA 2.400 . 3.100 2.878 2.817 2.921 . 0 0 "[ . 1 . 2]" 1
1880 1 126 SER H 1 126 SER QB 2.300 . 3.000 2.536 2.121 2.863 . 0 0 "[ . 1 . 2]" 1
1881 1 126 SER H 1 127 LYS H 2.700 . 3.600 2.451 2.289 2.645 . 0 0 "[ . 1 . 2]" 1
1882 1 126 SER H 1 128 GLN H 3.200 . 4.500 3.912 3.711 4.127 . 0 0 "[ . 1 . 2]" 1
1883 1 126 SER HA 1 127 LYS H 2.900 . 4.000 3.381 3.184 3.492 . 0 0 "[ . 1 . 2]" 1
1884 1 126 SER HA 1 128 GLN H 2.700 . 3.600 3.559 3.383 3.839 0.239 3 0 "[ . 1 . 2]" 1
1885 1 126 SER HA 1 129 GLN H 2.400 . 3.100 5.721 3.690 6.130 3.030 6 20 [*****+*************-] 1
1886 1 127 LYS H 1 127 LYS HA 2.400 . 3.100 2.910 2.849 2.945 . 0 0 "[ . 1 . 2]" 1
1887 1 127 LYS H 1 127 LYS QB 2.500 . 3.300 2.282 2.042 2.867 . 0 0 "[ . 1 . 2]" 1
1888 1 127 LYS H 1 127 LYS QD 3.000 . 4.100 3.763 3.073 4.206 0.106 5 0 "[ . 1 . 2]" 1
1889 1 127 LYS H 1 127 LYS QG 2.700 . 3.600 3.269 2.065 3.885 0.285 17 0 "[ . 1 . 2]" 1
1890 1 127 LYS H 1 128 GLN H 2.700 . 3.600 2.293 2.001 2.517 . 0 0 "[ . 1 . 2]" 1
1891 1 127 LYS H 1 128 GLN H 2.600 . 3.400 2.291 1.996 2.515 . 0 0 "[ . 1 . 2]" 1
1892 1 127 LYS HA 1 128 GLN H 2.900 . 4.000 3.284 3.127 3.404 . 0 0 "[ . 1 . 2]" 1
1893 1 128 GLN H 1 128 GLN HA 2.500 . 3.300 2.912 2.879 2.948 . 0 0 "[ . 1 . 2]" 1
1894 1 128 GLN H 1 128 GLN HB2 2.800 . 3.800 2.427 2.122 2.660 . 0 0 "[ . 1 . 2]" 1
1895 1 128 GLN H 1 128 GLN HB3 2.600 . 3.400 3.606 3.391 3.772 0.372 3 0 "[ . 1 . 2]" 1
1896 1 128 GLN H 1 128 GLN HG2 2.800 . 3.800 2.910 2.361 3.614 . 0 0 "[ . 1 . 2]" 1
1897 1 128 GLN H 1 128 GLN HG3 2.700 . 3.600 3.598 2.774 3.994 0.395 3 0 "[ . 1 . 2]" 1
1898 1 128 GLN HA 1 128 GLN HE21 3.500 . 5.000 4.275 3.286 5.061 0.061 19 0 "[ . 1 . 2]" 1
1899 1 128 GLN HA 1 128 GLN HE22 3.700 . 5.400 4.681 3.739 5.602 0.202 19 0 "[ . 1 . 2]" 1
1900 1 128 GLN HA 1 129 GLN H 2.300 . 3.000 3.097 2.265 3.461 0.461 20 0 "[ . 1 . 2]" 1
1901 1 128 GLN HB3 1 128 GLN HE21 3.200 . 4.500 4.198 3.612 4.360 . 0 0 "[ . 1 . 2]" 1
1902 1 128 GLN HB3 1 128 GLN HE22 3.700 . 5.400 4.383 3.980 4.592 . 0 0 "[ . 1 . 2]" 1
1903 1 128 GLN HE21 1 128 GLN HG2 2.600 . 3.400 2.463 2.117 3.277 . 0 0 "[ . 1 . 2]" 1
1904 1 128 GLN HE21 1 128 GLN HG3 2.600 . 3.500 2.708 2.124 3.231 . 0 0 "[ . 1 . 2]" 1
1905 1 128 GLN HE22 1 128 GLN HG2 2.700 . 3.600 3.581 3.433 3.951 0.351 3 0 "[ . 1 . 2]" 1
1906 1 128 GLN HE22 1 128 GLN HG3 3.000 . 4.100 3.688 3.443 3.926 . 0 0 "[ . 1 . 2]" 1
1907 1 129 GLN H 1 129 GLN HA 2.400 . 3.100 2.921 2.855 2.941 . 0 0 "[ . 1 . 2]" 1
1908 1 129 GLN H 1 129 GLN HB2 2.900 . 4.000 3.506 2.625 3.947 . 0 0 "[ . 1 . 2]" 1
1909 1 129 GLN H 1 129 GLN HB3 2.400 . 3.100 3.391 2.463 3.845 0.745 19 5 "[ -.* *1 * . +2]" 1
1910 1 129 GLN H 1 129 GLN HG2 2.500 . 3.300 3.121 1.764 3.809 0.509 12 1 "[ . 1 + . 2]" 1
1911 1 129 GLN H 1 129 GLN HG3 2.800 . 3.800 2.441 1.749 3.565 0.051 10 0 "[ . 1 . 2]" 1
1912 1 129 GLN HE21 1 129 GLN HG2 2.500 . 3.300 3.111 2.124 3.559 0.259 2 0 "[ . 1 . 2]" 1
1913 1 129 GLN HE21 1 129 GLN HG3 3.400 . 4.800 2.784 2.131 3.548 . 0 0 "[ . 1 . 2]" 1
1914 1 129 GLN HE22 1 129 GLN HG2 2.700 . 3.600 3.886 3.442 4.100 0.500 2 1 "[ + . 1 . 2]" 1
1915 1 129 GLN HE22 1 129 GLN HG3 3.400 . 4.900 3.727 3.446 4.091 . 0 0 "[ . 1 . 2]" 1
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