NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485647 |
2k60   |
15851 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k60
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 493
_Distance_constraint_stats_list.Viol_count 4083
_Distance_constraint_stats_list.Viol_total 282657.750
_Distance_constraint_stats_list.Viol_max 30.202
_Distance_constraint_stats_list.Viol_rms 3.7113
_Distance_constraint_stats_list.Viol_average_all_restraints 1.4334
_Distance_constraint_stats_list.Viol_average_violations_only 3.4614
_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 64 ILE 72.735 6.708 15 20 [**************+****-]
1 65 SER 484.693 9.821 8 20 [***-***+************]
1 66 VAL 518.671 8.828 20 20 [**-****************+]
1 67 GLU 312.933 6.661 20 20 [***************-***+]
1 68 ASP 75.661 2.592 17 20 [********-*******+***]
1 69 LEU 1415.665 18.194 5 20 [****+***-***********]
1 70 TRP 464.031 8.828 20 20 [**-****************+]
1 71 LYS 103.750 2.458 4 20 [***+-***************]
1 72 ALA 1.644 0.182 8 0 "[ . 1 . 2]"
1 73 TRP 415.067 13.871 13 20 [*******-****+*******]
1 74 LYS 126.944 3.920 2 20 [-+******************]
1 75 SER 29.553 0.951 2 19 "[ +*-****************]"
1 76 SER 82.652 1.462 12 20 [*********-*+********]
1 77 GLU 15.321 0.728 16 11 "[ -* . ***1* * .+** *]"
1 78 VAL 80.491 1.462 12 20 [*******-***+********]
1 79 TYR 444.861 7.931 5 20 [***-+***************]
1 80 ASN 15.388 0.519 2 2 "[ + . 1 . -]"
1 81 TRP 666.080 8.416 2 20 [*+*****************-]
1 82 THR 220.966 10.337 10 20 [*********+******-***]
1 83 VAL 643.015 17.505 10 20 [*********+*********-]
1 84 ASP 158.592 4.385 8 20 [*******+*********-**]
1 85 GLU 293.706 4.910 9 20 [*******-+***********]
1 86 VAL 887.072 17.147 20 20 [********-**********+]
1 87 VAL 209.200 4.105 8 20 [*******+************]
1 88 GLN 575.630 7.421 15 20 [**************+***-*]
1 89 TRP 395.329 4.244 3 20 [**+**********-******]
1 90 LEU 578.055 6.879 9 20 [***-****+***********]
1 91 ILE 1531.124 8.383 6 20 [***-*+**************]
1 92 THR 176.242 3.898 18 20 [****-************+**]
1 93 TYR 1383.317 26.203 9 20 [******-*+***********]
1 94 VAL 986.822 24.661 9 20 [********+******-****]
1 95 GLU 109.486 2.832 1 20 [+***-***************]
1 96 LEU 434.553 5.125 1 20 [+*****-*************]
1 97 PRO 554.047 8.383 6 20 [*****+****-*********]
1 98 GLN 89.694 3.226 5 20 [****+*****-*********]
1 99 TYR 386.881 6.879 9 20 [******-*+***********]
1 100 GLU 222.001 7.269 6 20 [*****+*********-****]
1 101 GLU 93.186 5.928 8 20 [***-***+************]
1 102 THR 142.164 5.623 11 20 [**********+*-*******]
1 103 PHE 337.867 9.116 10 20 [*********+***-******]
1 104 ARG 180.179 5.928 8 20 [*******+************]
1 105 LYS 149.699 5.623 11 20 [**********+**-******]
1 106 LEU 13.125 2.119 7 4 "[ .*+ 1 * . -2]"
1 107 GLN 82.804 2.312 12 20 [***********+******-*]
1 108 LEU 91.595 4.855 19 20 [******************+*]
1 109 SER 681.366 17.505 10 20 [***-*****+**********]
1 110 GLY 429.393 10.337 10 20 [***-*****+**********]
1 111 HIS 205.428 7.931 5 20 [***-+***************]
1 112 ALA 113.360 3.164 16 20 [**************-+****]
1 113 MET 392.335 17.369 7 20 [*-****+*************]
1 114 PRO 130.167 3.182 13 20 [*****-******+*******]
1 115 ARG 106.665 3.164 16 20 [**************-+****]
1 116 LEU 28.806 1.419 7 20 [*****-+*************]
1 117 ALA 637.361 30.202 6 20 [*-***+**************]
1 118 VAL 48.841 3.182 13 20 [***********-+*******]
1 119 THR 685.953 21.112 8 20 [*******+****-*******]
1 120 ASN 1297.573 14.946 8 20 [*-*****+************]
1 121 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 THR 102.634 3.640 1 20 [+********-**********]
1 126 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 VAL 13.701 0.791 12 20 [***********+****-***]
1 128 LEU 58.960 2.575 16 20 [***************+-***]
1 129 LYS 142.385 4.818 13 20 [*********-**+*******]
1 131 THR 38.802 2.096 19 20 [*******-**********+*]
1 132 ASP 193.428 9.913 8 20 [*******+******-*****]
1 133 ARG 59.903 1.941 15 20 [*************-+*****]
1 134 SER 15.213 0.850 20 5 "[* . 1 - .* * +]"
1 135 HIS 441.765 13.260 8 20 [*******+***********-]
1 136 ARG 1498.913 21.112 8 20 [*******+*****-******]
1 137 GLN 92.158 2.090 2 20 [*+**********-*******]
1 138 LYS 155.330 3.853 2 20 [*+****************-*]
1 139 LEU 88.853 2.090 2 20 [*+***************-**]
1 140 GLN 675.023 30.202 6 20 [*****+***********-**]
1 141 LEU 87.398 3.853 2 20 [*+***************-**]
1 142 LYS 2189.747 26.203 9 20 [*****-**+***********]
1 143 ALA 340.317 17.369 7 20 [******+**********-**]
1 144 LEU 3.090 0.239 13 0 "[ . 1 . 2]"
1 145 ASP 1.689 0.367 17 0 "[ . 1 . 2]"
1 146 THR 13.444 0.821 7 20 [**-***+*************]
1 147 VAL 267.103 13.871 13 20 [************+*-*****]
1 148 LEU 632.642 18.194 5 20 [***-+***************]
1 149 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLY 13.296 0.821 7 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 64 ILE H 1 65 SER H 5.040 . 5.040 3.335 1.842 4.563 . 0 0 "[ . 1 . 2]" 1
2 1 64 ILE HA 1 65 SER QB 5.340 . 5.340 4.611 3.998 5.540 0.200 8 0 "[ . 1 . 2]" 1
3 1 64 ILE HA 1 69 LEU QD . . 4.480 8.105 5.480 11.188 6.708 15 20 [**************+****-] 1
4 1 65 SER H 1 65 SER QB 3.520 . 3.520 2.760 2.320 3.436 . 0 0 "[ . 1 . 2]" 1
5 1 65 SER H 1 66 VAL H 4.770 . 4.770 3.478 1.905 4.543 . 0 0 "[ . 1 . 2]" 1
6 1 65 SER H 1 69 LEU HA 5.500 . 5.500 10.456 7.611 13.916 8.416 15 20 [************-*+*****] 1
7 1 65 SER H 1 69 LEU QB 5.230 . 5.230 8.121 4.806 11.864 6.634 8 18 "[***-***+**** **** **]" 1
8 1 65 SER H 1 69 LEU QD 4.590 . 4.590 8.029 5.003 11.752 7.162 8 19 [****.**+****-*******] 1
9 1 65 SER H 1 69 LEU HG 5.500 . 5.500 10.729 7.212 15.321 9.821 8 20 [*******+***********-] 1
10 1 65 SER HA 1 66 VAL H 3.410 . 3.410 2.878 2.000 3.580 0.170 17 0 "[ . 1 . 2]" 1
11 1 65 SER HA 1 66 VAL HA 4.700 . 4.700 4.473 4.236 4.721 0.021 15 0 "[ . 1 . 2]" 1
12 1 65 SER HA 1 67 GLU H 4.730 . 4.730 5.375 3.369 6.702 1.972 6 10 "[ **.+ * 1 ***** - 2]" 1
13 1 65 SER HA 1 69 LEU QD 4.630 . 4.630 8.809 5.326 11.868 7.238 15 20 [****-*********+*****] 1
14 1 65 SER QB 1 67 GLU H 3.930 . 3.930 5.281 2.316 6.911 2.981 8 17 "[****.**+-*** **** **]" 1
15 1 65 SER QB 1 67 GLU QB 5.340 . 5.340 6.350 2.548 8.072 2.732 8 16 "[*** .**+ **-***** **]" 1
16 1 66 VAL H 1 67 GLU H 3.420 . 3.420 3.440 2.311 4.591 1.171 4 8 "[ *+.* * 1 * **- 2]" 1
17 1 66 VAL HA 1 67 GLU HA 4.870 . 4.870 4.520 4.265 5.273 0.403 2 0 "[ . 1 . 2]" 1
18 1 66 VAL HA 1 67 GLU QG 5.340 . 5.340 4.761 3.459 6.275 0.935 1 4 "[+ - . *1 * . 2]" 1
19 1 66 VAL HA 1 69 LEU HA 5.460 . 5.460 9.571 6.963 10.892 5.432 20 20 [***********-*******+] 1
20 1 66 VAL HA 1 69 LEU QB . . 3.900 8.193 4.742 10.093 6.193 20 20 [*****-*************+] 1
21 1 66 VAL HA 1 69 LEU QD 3.600 . 3.600 8.045 4.498 9.963 6.363 2 20 [*+***-**************] 1
22 1 66 VAL HA 1 70 TRP H 4.780 . 4.780 11.073 7.626 13.174 8.394 20 20 [***********-*******+] 1
23 1 66 VAL HA 1 70 TRP QB 5.340 . 5.340 11.526 7.805 14.168 8.828 20 20 [***********-*******+] 1
24 1 67 GLU H 1 67 GLU QB 3.140 . 3.140 2.623 2.297 3.425 0.285 2 0 "[ . 1 . 2]" 1
25 1 67 GLU H 1 67 GLU QG . . 3.240 3.084 2.031 4.294 1.054 1 6 "[+ - .* *1 * .* 2]" 1
26 1 67 GLU H 1 68 ASP HA 5.500 . 5.500 4.973 3.955 5.484 . 0 0 "[ . 1 . 2]" 1
27 1 67 GLU HA 1 67 GLU QG . . 3.420 2.598 2.264 3.529 0.109 19 0 "[ . 1 . 2]" 1
28 1 67 GLU HA 1 68 ASP HA 4.820 . 4.820 4.436 4.105 5.325 0.505 16 1 "[ . 1 .+ 2]" 1
29 1 67 GLU HA 1 70 TRP H 4.230 . 4.230 8.069 5.547 9.371 5.141 20 20 [**-****************+] 1
30 1 67 GLU HA 1 70 TRP QB 4.140 . 4.140 8.866 5.778 10.801 6.661 20 20 [***********-*******+] 1
31 1 67 GLU QB 1 68 ASP QB 5.340 . 5.340 4.781 4.086 5.616 0.276 3 0 "[ . 1 . 2]" 1
32 1 67 GLU QG 1 68 ASP HA 4.660 . 4.660 5.414 3.768 6.151 1.491 13 14 "[ - ***** ** +** ** *]" 1
33 1 67 GLU QG 1 68 ASP QB 3.720 . 3.720 5.497 4.239 6.312 2.592 17 20 [-***************+***] 1
34 1 68 ASP HA 1 69 LEU HA 4.960 . 4.960 4.495 4.221 4.726 . 0 0 "[ . 1 . 2]" 1
35 1 68 ASP QB 1 69 LEU QD 4.410 . 4.410 4.458 2.154 5.513 1.103 18 7 "[* *.* - 1 * . +*2]" 1
36 1 68 ASP QB 1 69 LEU HG 5.500 . 5.500 6.074 4.744 7.211 1.711 6 13 "[** **+ *-1* *** **2]" 1
37 1 69 LEU HA 1 69 LEU QD . . 2.750 2.131 1.926 2.899 0.149 5 0 "[ . 1 . 2]" 1
38 1 69 LEU HA 1 69 LEU HG 3.760 . 3.760 3.197 2.601 3.804 0.044 7 0 "[ . 1 . 2]" 1
39 1 69 LEU HA 1 73 TRP H 4.540 . 4.540 5.724 5.061 6.106 1.566 6 20 [*****+*-************] 1
40 1 69 LEU QB 1 70 TRP H 3.710 . 3.710 3.027 1.986 3.662 . 0 0 "[ . 1 . 2]" 1
41 1 69 LEU QB 1 70 TRP HA 5.010 . 5.010 4.626 4.112 4.998 . 0 0 "[ . 1 . 2]" 1
42 1 69 LEU QB 1 70 TRP QB 5.330 . 5.330 4.758 3.762 5.301 . 0 0 "[ . 1 . 2]" 1
43 1 69 LEU QD 1 70 TRP H . . 4.390 2.542 1.912 3.704 . 0 0 "[ . 1 . 2]" 1
44 1 69 LEU QD 1 70 TRP HA 5.440 . 5.440 4.620 4.230 5.370 . 0 0 "[ . 1 . 2]" 1
45 1 69 LEU QD 1 148 LEU H 5.440 . 5.440 19.856 18.574 21.168 15.728 5 20 [***-+***************] 1
46 1 69 LEU QD 1 148 LEU HA . . 4.030 20.940 19.611 22.224 18.194 5 20 [***-+***************] 1
47 1 69 LEU HG 1 70 TRP H 5.340 . 5.340 2.717 1.648 4.964 . 0 0 "[ . 1 . 2]" 1
48 1 70 TRP H 1 72 ALA H 4.600 . 4.600 4.185 2.786 4.712 0.112 13 0 "[ . 1 . 2]" 1
49 1 70 TRP H 1 73 TRP H 5.140 . 5.140 4.843 2.972 5.144 0.004 3 0 "[ . 1 . 2]" 1
50 1 70 TRP HA 1 71 LYS HD2 5.500 . 5.500 7.651 7.256 7.958 2.458 4 20 [***+*-**************] 1
51 1 70 TRP QB 1 71 LYS H 4.230 . 4.230 2.874 2.121 3.467 . 0 0 "[ . 1 . 2]" 1
52 1 71 LYS H 1 71 LYS QB 2.840 . 2.840 2.235 2.112 2.302 . 0 0 "[ . 1 . 2]" 1
53 1 71 LYS H 1 71 LYS HD2 3.790 . 3.790 4.712 4.261 5.012 1.222 1 19 [+***-**************2] 1
54 1 71 LYS H 1 71 LYS HE2 5.270 . 5.270 6.974 6.590 7.179 1.909 1 20 [+******************-] 1
55 1 71 LYS H 1 72 ALA H 4.990 . 4.990 2.764 2.503 2.970 . 0 0 "[ . 1 . 2]" 1
56 1 71 LYS HA 1 71 LYS HD2 4.130 . 4.130 3.905 3.026 4.541 0.411 14 0 "[ . 1 . 2]" 1
57 1 71 LYS HA 1 71 LYS HE2 5.310 . 5.310 5.528 4.907 6.062 0.752 14 6 "[ - . *1* +.** 2]" 1
58 1 71 LYS HA 1 74 LYS H 5.060 . 5.060 3.512 3.023 3.782 . 0 0 "[ . 1 . 2]" 1
59 1 71 LYS QB 1 72 ALA H 3.200 . 3.200 2.509 2.353 2.695 . 0 0 "[ . 1 . 2]" 1
60 1 71 LYS QB 1 72 ALA HA 4.840 . 4.840 3.997 3.732 4.161 . 0 0 "[ . 1 . 2]" 1
61 1 72 ALA H 1 73 TRP H 3.310 . 3.310 2.643 2.500 2.756 . 0 0 "[ . 1 . 2]" 1
62 1 72 ALA H 1 75 SER H 5.500 . 5.500 4.754 4.608 4.898 . 0 0 "[ . 1 . 2]" 1
63 1 72 ALA HA 1 73 TRP HA 5.120 . 5.120 4.754 4.712 4.811 . 0 0 "[ . 1 . 2]" 1
64 1 72 ALA HA 1 73 TRP QB 5.340 . 5.340 5.356 5.103 5.522 0.182 8 0 "[ . 1 . 2]" 1
65 1 72 ALA HA 1 74 LYS H 4.770 . 4.770 4.542 4.427 4.707 . 0 0 "[ . 1 . 2]" 1
66 1 73 TRP H 1 73 TRP HB2 3.280 . 3.280 2.734 2.340 3.604 0.324 11 0 "[ . 1 . 2]" 1
67 1 73 TRP H 1 73 TRP QB 2.860 . 2.860 2.411 2.159 2.548 . 0 0 "[ . 1 . 2]" 1
68 1 73 TRP H 1 73 TRP HB3 3.280 . 3.280 3.022 2.517 3.612 0.332 8 0 "[ . 1 . 2]" 1
69 1 73 TRP H 1 74 LYS H 3.230 . 3.230 2.604 2.496 2.756 . 0 0 "[ . 1 . 2]" 1
70 1 73 TRP H 1 75 SER H 4.530 . 4.530 4.199 4.032 4.330 . 0 0 "[ . 1 . 2]" 1
71 1 73 TRP H 1 76 SER H 5.030 . 5.030 4.545 4.450 4.621 . 0 0 "[ . 1 . 2]" 1
72 1 73 TRP H 1 76 SER QB 5.000 . 5.000 4.426 4.223 4.564 . 0 0 "[ . 1 . 2]" 1
73 1 73 TRP HA 1 75 SER H 4.400 . 4.400 4.690 4.515 4.809 0.409 19 0 "[ . 1 . 2]" 1
74 1 73 TRP HA 1 76 SER HA 4.990 . 4.990 5.170 4.992 5.343 0.353 10 0 "[ . 1 . 2]" 1
75 1 73 TRP HA 1 76 SER QB . . 3.450 2.437 2.280 2.542 . 0 0 "[ . 1 . 2]" 1
76 1 73 TRP HA 1 79 TYR H 4.860 . 4.860 7.484 7.360 7.613 2.753 2 20 [*+*****************-] 1
77 1 73 TRP HA 1 147 VAL HA 5.070 . 5.070 18.283 17.608 18.941 13.871 13 20 [************+*-*****] 1
78 1 73 TRP QB 1 74 LYS H 4.260 . 4.260 2.762 2.314 3.280 . 0 0 "[ . 1 . 2]" 1
79 1 73 TRP QB 1 74 LYS HA 5.100 . 5.100 4.094 3.725 4.310 . 0 0 "[ . 1 . 2]" 1
80 1 73 TRP QB 1 75 SER H 5.340 . 5.340 5.008 4.632 5.344 0.004 20 0 "[ . 1 . 2]" 1
81 1 73 TRP QB 1 79 TYR H 5.340 . 5.340 8.326 8.072 8.548 3.208 5 20 [-***+***************] 1
82 1 74 LYS H 1 75 SER H 3.560 . 3.560 2.846 2.722 2.934 . 0 0 "[ . 1 . 2]" 1
83 1 74 LYS H 1 75 SER QB 5.500 . 5.500 5.044 4.924 5.187 . 0 0 "[ . 1 . 2]" 1
84 1 74 LYS H 1 76 SER H 4.240 . 4.240 3.937 3.858 4.036 . 0 0 "[ . 1 . 2]" 1
85 1 74 LYS H 1 79 TYR QB 4.500 . 4.500 8.135 7.647 8.420 3.920 2 20 [-+******************] 1
86 1 74 LYS HA 1 76 SER H 4.980 . 4.980 4.129 4.053 4.220 . 0 0 "[ . 1 . 2]" 1
87 1 74 LYS HA 1 79 TYR QB 4.880 . 4.880 7.592 6.977 7.962 3.082 2 20 [-+******************] 1
88 1 75 SER H 1 75 SER QB 3.130 . 3.130 2.483 2.375 2.616 . 0 0 "[ . 1 . 2]" 1
89 1 75 SER H 1 76 SER QB 4.480 . 4.480 4.307 4.161 4.413 . 0 0 "[ . 1 . 2]" 1
90 1 75 SER H 1 79 TYR H 5.500 . 5.500 5.859 5.778 5.937 0.437 5 0 "[ . 1 . 2]" 1
91 1 75 SER H 1 79 TYR QB 5.340 . 5.340 6.107 5.772 6.291 0.951 2 19 "[ +*-****************]" 1
92 1 75 SER HA 1 76 SER H 3.470 . 3.470 3.501 3.442 3.564 0.094 10 0 "[ . 1 . 2]" 1
93 1 75 SER QB 1 76 SER H 4.050 . 4.050 3.612 3.551 3.660 . 0 0 "[ . 1 . 2]" 1
94 1 75 SER QB 1 76 SER HA 4.500 . 4.500 4.518 4.434 4.611 0.111 1 0 "[ . 1 . 2]" 1
95 1 76 SER H 1 76 SER QB 2.880 . 2.880 2.128 2.055 2.194 . 0 0 "[ . 1 . 2]" 1
96 1 76 SER H 1 77 GLU H 4.790 . 4.790 2.731 2.672 2.770 . 0 0 "[ . 1 . 2]" 1
97 1 76 SER H 1 78 VAL H 5.030 . 5.030 3.937 3.856 4.013 . 0 0 "[ . 1 . 2]" 1
98 1 76 SER H 1 79 TYR H 4.250 . 4.250 4.426 4.314 4.488 0.238 14 0 "[ . 1 . 2]" 1
99 1 76 SER H 1 79 TYR QB 5.040 . 5.040 4.645 4.110 4.968 . 0 0 "[ . 1 . 2]" 1
100 1 76 SER HA 1 76 SER QB 2.580 . 2.580 2.499 2.475 2.523 . 0 0 "[ . 1 . 2]" 1
101 1 76 SER QB 1 77 GLU H 3.170 . 3.170 2.259 2.130 2.672 . 0 0 "[ . 1 . 2]" 1
102 1 76 SER QB 1 78 VAL H . . 3.290 4.406 4.331 4.538 1.248 10 20 [*********+*****-****] 1
103 1 76 SER QB 1 78 VAL HA 5.340 . 5.340 6.702 6.651 6.802 1.462 12 20 [***********+*******-] 1
104 1 76 SER QB 1 79 TYR H 3.620 . 3.620 4.658 4.528 4.828 1.208 14 20 [*********-***+******] 1
105 1 76 SER QB 1 79 TYR QB 4.670 . 4.670 4.712 3.992 5.107 0.437 2 0 "[ . 1 . 2]" 1
106 1 77 GLU H 1 78 VAL H 3.790 . 3.790 2.634 2.529 2.695 . 0 0 "[ . 1 . 2]" 1
107 1 77 GLU H 1 78 VAL HA 5.340 . 5.340 5.231 5.164 5.285 . 0 0 "[ . 1 . 2]" 1
108 1 77 GLU H 1 79 TYR H 5.370 . 5.370 4.005 3.930 4.177 . 0 0 "[ . 1 . 2]" 1
109 1 77 GLU HA 1 78 VAL HA 5.500 . 5.500 4.722 4.640 4.838 . 0 0 "[ . 1 . 2]" 1
110 1 77 GLU HA 1 80 ASN H 3.840 . 3.840 3.227 3.042 3.437 . 0 0 "[ . 1 . 2]" 1
111 1 77 GLU HA 1 80 ASN HB2 4.200 . 4.200 2.981 1.986 3.639 . 0 0 "[ . 1 . 2]" 1
112 1 77 GLU HA 1 80 ASN QB 3.640 . 3.640 2.923 1.974 3.519 . 0 0 "[ . 1 . 2]" 1
113 1 77 GLU HA 1 80 ASN HB3 4.200 . 4.200 4.323 3.371 4.678 0.478 9 0 "[ . 1 . 2]" 1
114 1 77 GLU HA 1 81 TRP H 5.010 . 5.010 5.505 5.201 5.738 0.728 16 11 "[ -* . ***1* * .+** *]" 1
115 1 78 VAL H 1 79 TYR H 3.710 . 3.710 2.618 2.557 2.738 . 0 0 "[ . 1 . 2]" 1
116 1 78 VAL H 1 81 TRP H 5.040 . 5.040 5.619 5.401 5.913 0.873 16 15 "[ ** .**-*1** **+****]" 1
117 1 78 VAL H 1 81 TRP HE3 5.500 . 5.500 4.953 4.599 5.527 0.027 5 0 "[ . 1 . 2]" 1
118 1 78 VAL HA 1 80 ASN H 4.500 . 4.500 4.018 3.918 4.162 . 0 0 "[ . 1 . 2]" 1
119 1 78 VAL HA 1 81 TRP H 5.040 . 5.040 3.961 3.626 4.307 . 0 0 "[ . 1 . 2]" 1
120 1 78 VAL HA 1 81 TRP HA 5.500 . 5.500 6.431 6.146 6.743 1.243 16 20 [****-**********+****] 1
121 1 78 VAL HA 1 81 TRP QB 4.380 . 4.380 4.155 3.721 4.600 0.220 16 0 "[ . 1 . 2]" 1
122 1 79 TYR H 1 79 TYR HB2 3.310 . 3.310 3.453 2.916 3.648 0.338 8 0 "[ . 1 . 2]" 1
123 1 79 TYR H 1 79 TYR HB3 3.310 . 3.310 2.255 1.864 2.451 . 0 0 "[ . 1 . 2]" 1
124 1 79 TYR H 1 80 ASN H 3.440 . 3.440 2.529 2.428 2.668 . 0 0 "[ . 1 . 2]" 1
125 1 79 TYR H 1 81 TRP H 5.110 . 5.110 4.340 4.104 4.515 . 0 0 "[ . 1 . 2]" 1
126 1 79 TYR HA 1 81 TRP QB 5.230 . 5.230 4.576 4.329 4.794 . 0 0 "[ . 1 . 2]" 1
127 1 79 TYR HA 1 111 HIS HA 5.500 . 5.500 12.870 12.467 13.431 7.931 5 20 [****+-**************] 1
128 1 79 TYR QB 1 80 ASN H 3.610 . 3.610 3.501 3.040 3.664 0.054 19 0 "[ . 1 . 2]" 1
129 1 79 TYR QB 1 80 ASN QB 5.180 . 5.180 5.235 4.879 5.497 0.317 20 0 "[ . 1 . 2]" 1
130 1 80 ASN H 1 80 ASN HB2 3.620 . 3.620 2.341 2.035 2.629 . 0 0 "[ . 1 . 2]" 1
131 1 80 ASN H 1 80 ASN QB 3.090 . 3.090 2.305 1.996 2.577 . 0 0 "[ . 1 . 2]" 1
132 1 80 ASN H 1 80 ASN HB3 3.620 . 3.620 3.468 2.883 3.709 0.089 10 0 "[ . 1 . 2]" 1
133 1 80 ASN H 1 81 TRP H 3.320 . 3.320 2.911 2.809 2.975 . 0 0 "[ . 1 . 2]" 1
134 1 80 ASN H 1 81 TRP QB 4.560 . 4.560 4.892 4.707 5.079 0.519 2 2 "[ + . 1 . -]" 1
135 1 81 TRP H 1 81 TRP QB 3.470 . 3.470 2.319 2.170 2.440 . 0 0 "[ . 1 . 2]" 1
136 1 81 TRP H 1 82 THR H 4.590 . 4.590 2.408 2.061 2.668 . 0 0 "[ . 1 . 2]" 1
137 1 81 TRP H 1 110 GLY H 4.990 . 4.990 12.681 11.916 13.406 8.416 2 20 [*+*************-****] 1
138 1 81 TRP HA 1 81 TRP HE3 5.420 . 5.420 4.670 4.090 5.699 0.279 10 0 "[ . 1 . 2]" 1
139 1 81 TRP HA 1 82 THR HA 4.780 . 4.780 4.645 4.482 4.814 0.034 18 0 "[ . 1 . 2]" 1
140 1 81 TRP HA 1 85 GLU QB . . 3.770 7.989 7.106 8.680 4.910 9 20 [********+****-******] 1
141 1 81 TRP QB 1 82 THR H 4.010 . 4.010 2.587 2.237 2.907 . 0 0 "[ . 1 . 2]" 1
142 1 81 TRP QB 1 82 THR HA 5.060 . 5.060 3.863 3.772 3.889 . 0 0 "[ . 1 . 2]" 1
143 1 81 TRP QB 1 85 GLU H 4.990 . 4.990 6.979 6.866 7.125 2.135 5 20 [****+*************-*] 1
144 1 81 TRP QB 1 85 GLU QB . . 3.820 7.172 6.720 7.612 3.792 18 20 [*************-***+**] 1
145 1 81 TRP QB 1 86 VAL H 4.050 . 4.050 7.696 7.369 8.078 4.028 18 20 [***************-*+**] 1
146 1 81 TRP QB 1 86 VAL HA 4.430 . 4.430 10.127 9.907 10.339 5.909 10 20 [*********+*****-****] 1
147 1 81 TRP QB 1 110 GLY H 5.060 . 5.060 9.349 8.822 9.931 4.871 10 20 [***-*****+**********] 1
148 1 82 THR H 1 83 VAL H 4.650 . 4.650 4.347 3.949 4.578 . 0 0 "[ . 1 . 2]" 1
149 1 82 THR H 1 85 GLU QB 3.950 . 3.950 5.507 4.822 6.199 2.249 18 20 [****************-+**] 1
150 1 82 THR HA 1 110 GLY H 4.510 . 4.510 14.000 13.491 14.847 10.337 10 20 [*********+***-******] 1
151 1 83 VAL H 1 84 ASP H 3.510 . 3.510 2.727 2.379 3.044 . 0 0 "[ . 1 . 2]" 1
152 1 83 VAL H 1 85 GLU H 4.690 . 4.690 3.780 3.292 4.048 . 0 0 "[ . 1 . 2]" 1
153 1 83 VAL HA 1 86 VAL H 4.000 . 4.000 7.118 6.853 7.411 3.411 8 20 [*******+***********-] 1
154 1 83 VAL HA 1 87 VAL H 4.900 . 4.900 8.627 8.293 9.005 4.105 8 20 [*******+***********-] 1
155 1 83 VAL HA 1 103 PHE QB 4.940 . 4.940 13.355 12.974 14.056 9.116 10 20 [*********+***-******] 1
156 1 83 VAL HA 1 109 SER HA 3.410 . 3.410 20.301 19.590 20.915 17.505 10 20 [*********+***-******] 1
157 1 84 ASP H 1 84 ASP HB2 3.790 . 3.790 3.694 3.620 3.749 . 0 0 "[ . 1 . 2]" 1
158 1 84 ASP H 1 84 ASP QB 3.000 . 3.000 2.501 2.350 2.735 . 0 0 "[ . 1 . 2]" 1
159 1 84 ASP H 1 84 ASP HB3 3.790 . 3.790 2.545 2.380 2.816 . 0 0 "[ . 1 . 2]" 1
160 1 84 ASP H 1 85 GLU H 3.540 . 3.540 2.165 1.934 2.356 . 0 0 "[ . 1 . 2]" 1
161 1 84 ASP HA 1 85 GLU HA 5.280 . 5.280 5.158 5.067 5.202 . 0 0 "[ . 1 . 2]" 1
162 1 84 ASP HA 1 87 VAL H 3.770 . 3.770 7.412 7.136 7.691 3.921 8 20 [*******+*********-**] 1
163 1 84 ASP HA 1 88 GLN H 4.380 . 4.380 8.591 8.347 8.765 4.385 8 20 [**-****+************] 1
164 1 84 ASP QB 1 85 GLU H 3.580 . 3.580 3.654 3.557 3.771 0.191 10 0 "[ . 1 . 2]" 1
165 1 84 ASP QB 1 85 GLU HA 5.340 . 5.340 5.266 5.161 5.355 0.015 18 0 "[ . 1 . 2]" 1
166 1 85 GLU H 1 85 GLU QB 3.570 . 3.570 2.933 2.728 3.291 . 0 0 "[ . 1 . 2]" 1
167 1 85 GLU H 1 86 VAL H 3.610 . 3.610 3.136 2.880 3.352 . 0 0 "[ . 1 . 2]" 1
168 1 85 GLU H 1 87 VAL H 4.570 . 4.570 4.796 4.525 5.070 0.500 8 1 "[ . + 1 . 2]" 1
169 1 85 GLU H 1 88 GLN H 5.260 . 5.260 5.950 5.703 6.109 0.849 2 18 "[-+ ******1**********]" 1
170 1 85 GLU HA 1 87 VAL H 5.490 . 5.490 3.010 2.809 3.158 . 0 0 "[ . 1 . 2]" 1
171 1 85 GLU HA 1 88 GLN H 4.650 . 4.650 4.720 4.452 5.031 0.381 6 0 "[ . 1 . 2]" 1
172 1 85 GLU HA 1 89 TRP H 4.940 . 4.940 6.716 6.495 6.865 1.925 13 20 [************+**-****] 1
173 1 85 GLU QB 1 86 VAL H . . 3.400 3.907 3.736 4.023 0.623 16 13 "[ * **** -** *+* **]" 1
174 1 85 GLU QB 1 86 VAL HA 4.430 . 4.430 4.591 4.287 4.823 0.393 16 0 "[ . 1 . 2]" 1
175 1 86 VAL H 1 87 VAL H 3.500 . 3.500 2.259 1.825 2.652 . 0 0 "[ . 1 . 2]" 1
176 1 86 VAL H 1 88 GLN H 4.540 . 4.540 3.182 2.917 3.667 . 0 0 "[ . 1 . 2]" 1
177 1 86 VAL H 1 109 SER HA 4.570 . 4.570 21.151 20.635 21.717 17.147 20 20 [***************-***+] 1
178 1 86 VAL HA 1 88 GLN H 5.000 . 5.000 4.384 3.971 4.547 . 0 0 "[ . 1 . 2]" 1
179 1 86 VAL HA 1 89 TRP H 4.240 . 4.240 8.321 7.863 8.484 4.244 3 20 [**+************-****] 1
180 1 86 VAL HA 1 89 TRP HA 5.500 . 5.500 7.713 7.158 8.001 2.501 13 20 [************+**-****] 1
181 1 86 VAL HA 1 90 LEU H 3.830 . 3.830 8.687 8.037 9.316 5.486 15 20 [**************+-****] 1
182 1 86 VAL HA 1 90 LEU QB 5.290 . 5.290 8.764 7.969 9.802 4.512 3 20 [**+************-****] 1
183 1 87 VAL H 1 88 GLN H 3.500 . 3.500 2.439 2.134 2.622 . 0 0 "[ . 1 . 2]" 1
184 1 87 VAL H 1 89 TRP H 4.760 . 4.760 5.767 5.449 6.056 1.296 12 20 [***********+******-*] 1
185 1 87 VAL H 1 90 LEU H 5.420 . 5.420 7.272 6.796 7.926 2.506 15 20 [*****-********+*****] 1
186 1 88 GLN H 1 88 GLN QB 3.010 . 3.010 3.275 3.168 3.380 0.370 1 0 "[ . 1 . 2]" 1
187 1 88 GLN H 1 89 TRP H 3.500 . 3.500 4.135 4.021 4.217 0.717 12 20 [***********+******-*] 1
188 1 88 GLN H 1 90 LEU H 4.640 . 4.640 5.813 5.463 6.314 1.674 15 20 [*****-********+*****] 1
189 1 88 GLN H 1 91 ILE QG 4.460 . 4.460 10.587 9.659 11.377 6.917 14 20 [*********-***+******] 1
190 1 88 GLN HA 1 90 LEU H 5.300 . 5.300 5.670 5.366 5.974 0.674 15 3 "[ * 1 - + 2]" 1
191 1 88 GLN HA 1 91 ILE H 4.000 . 4.000 8.842 8.535 9.235 5.235 15 20 [*********-****+*****] 1
192 1 88 GLN HA 1 91 ILE HB 4.970 . 4.970 11.897 11.537 12.391 7.421 15 20 [************-*+*****] 1
193 1 88 GLN QB 1 92 THR H 5.450 . 5.450 8.886 8.533 9.232 3.782 19 20 [*****-************+*] 1
194 1 89 TRP H 1 90 LEU H 3.650 . 3.650 4.318 4.166 4.428 0.778 15 20 [*************-+*****] 1
195 1 89 TRP H 1 91 ILE H 4.530 . 4.530 7.238 6.974 7.462 2.932 18 20 [*********-*******+**] 1
196 1 89 TRP H 1 91 ILE MG 5.450 . 5.450 8.216 7.883 8.464 3.014 15 20 [*********-****+*****] 1
197 1 89 TRP H 1 92 THR H 5.080 . 5.080 8.764 8.601 8.978 3.898 18 20 [*********-*******+**] 1
198 1 89 TRP HA 1 93 TYR H 5.210 . 5.210 5.439 5.208 5.686 0.476 13 0 "[ . 1 . 2]" 1
199 1 89 TRP HA 1 93 TYR QB 4.300 . 4.300 3.166 2.896 3.340 . 0 0 "[ . 1 . 2]" 1
200 1 90 LEU H 1 90 LEU QB . . 3.650 2.353 2.268 2.461 . 0 0 "[ . 1 . 2]" 1
201 1 90 LEU H 1 91 ILE H 3.960 . 3.960 4.514 4.461 4.598 0.638 3 20 [**+-****************] 1
202 1 90 LEU H 1 91 ILE HA 5.500 . 5.500 5.512 5.368 5.631 0.131 14 0 "[ . 1 . 2]" 1
203 1 90 LEU H 1 91 ILE MG 4.580 . 4.580 5.642 5.544 5.907 1.327 3 20 [-*+*****************] 1
204 1 90 LEU H 1 92 THR H 4.870 . 4.870 4.975 4.738 5.136 0.266 2 0 "[ . 1 . 2]" 1
205 1 90 LEU HA 1 93 TYR H 5.500 . 5.500 4.587 4.430 4.766 . 0 0 "[ . 1 . 2]" 1
206 1 90 LEU HA 1 94 VAL HA 5.500 . 5.500 7.567 7.386 7.972 2.472 3 20 [**+*************-***] 1
207 1 90 LEU HA 1 95 GLU H 5.080 . 5.080 7.424 7.096 7.912 2.832 1 20 [+***-***************] 1
208 1 90 LEU QB 1 91 ILE H . . 4.800 3.187 2.365 3.333 . 0 0 "[ . 1 . 2]" 1
209 1 90 LEU QB 1 91 ILE MG 4.920 . 4.920 3.868 3.291 3.947 . 0 0 "[ . 1 . 2]" 1
210 1 90 LEU QB 1 96 LEU H 5.400 . 5.400 9.295 8.594 9.904 4.504 1 20 [+***********-*******] 1
211 1 90 LEU QB 1 99 TYR QB 5.340 . 5.340 11.780 10.170 12.219 6.879 9 20 [***-****+***********] 1
212 1 91 ILE H 1 91 ILE HB 3.740 . 3.740 3.581 3.553 3.672 . 0 0 "[ . 1 . 2]" 1
213 1 91 ILE H 1 91 ILE QG . . 3.270 2.421 1.995 3.223 . 0 0 "[ . 1 . 2]" 1
214 1 91 ILE H 1 91 ILE MG 3.230 . 3.230 1.910 1.800 2.074 . 0 0 "[ . 1 . 2]" 1
215 1 91 ILE H 1 92 THR H 3.590 . 3.590 2.741 2.532 2.883 . 0 0 "[ . 1 . 2]" 1
216 1 91 ILE H 1 94 VAL H 5.060 . 5.060 4.923 4.729 5.256 0.196 3 0 "[ . 1 . 2]" 1
217 1 91 ILE H 1 96 LEU H 5.300 . 5.300 9.775 9.373 10.425 5.125 1 20 [+***-***************] 1
218 1 91 ILE HA 1 91 ILE MG 2.990 . 2.990 3.200 3.179 3.222 0.232 3 0 "[ . 1 . 2]" 1
219 1 91 ILE HA 1 92 THR HA 4.730 . 4.730 4.671 4.632 4.770 0.040 1 0 "[ . 1 . 2]" 1
220 1 91 ILE HA 1 93 TYR H 4.200 . 4.200 4.208 4.022 4.451 0.251 13 0 "[ . 1 . 2]" 1
221 1 91 ILE HA 1 95 GLU HA 3.560 . 3.560 4.753 4.100 5.539 1.979 1 20 [+*************-*****] 1
222 1 91 ILE HA 1 99 TYR QB 5.030 . 5.030 9.082 7.009 9.811 4.781 6 20 [***-*+**************] 1
223 1 91 ILE HB 1 92 THR H 3.820 . 3.820 3.809 3.641 3.876 0.056 3 0 "[ . 1 . 2]" 1
224 1 91 ILE HB 1 92 THR HA 4.760 . 4.760 4.436 4.339 4.550 . 0 0 "[ . 1 . 2]" 1
225 1 91 ILE HB 1 93 TYR H 5.500 . 5.500 5.500 5.369 5.719 0.219 13 0 "[ . 1 . 2]" 1
226 1 91 ILE HB 1 97 PRO HA 4.110 . 4.110 11.839 11.398 12.375 8.265 6 20 [*****+***********-**] 1
227 1 91 ILE HB 1 97 PRO QB 5.410 . 5.410 9.216 8.718 9.624 4.214 6 20 [*****+*************-] 1
228 1 91 ILE HB 1 99 TYR QB 5.340 . 5.340 9.624 7.638 10.555 5.215 6 20 [***-*+**************] 1
229 1 91 ILE QG 1 92 THR H 3.470 . 3.470 4.287 4.080 4.613 1.143 3 20 [**+*******-*********] 1
230 1 91 ILE QG 1 93 TYR H 4.610 . 4.610 5.660 5.328 6.045 1.435 13 20 [******-*****+*******] 1
231 1 91 ILE MG 1 95 GLU HA 5.000 . 5.000 5.810 5.489 6.365 1.365 6 18 "[*****+*-*** ***** **]" 1
232 1 91 ILE MG 1 96 LEU H 4.220 . 4.220 8.211 7.827 8.651 4.431 1 20 [+*************-*****] 1
233 1 91 ILE MG 1 97 PRO HA 3.140 . 3.140 11.174 10.937 11.523 8.383 6 20 [*****+-*************] 1
234 1 91 ILE MG 1 97 PRO HD2 5.470 . 5.470 9.721 8.650 12.532 7.062 12 20 [***-*******+********] 1
235 1 91 ILE MG 1 100 GLU H 4.840 . 4.840 11.563 11.013 12.109 7.269 6 20 [***-*+**************] 1
236 1 92 THR H 1 93 TYR H 3.550 . 3.550 2.372 2.300 2.501 . 0 0 "[ . 1 . 2]" 1
237 1 92 THR H 1 93 TYR HA 5.500 . 5.500 5.028 4.961 5.108 . 0 0 "[ . 1 . 2]" 1
238 1 92 THR H 1 93 TYR QB 5.340 . 5.340 4.504 4.324 4.694 . 0 0 "[ . 1 . 2]" 1
239 1 92 THR H 1 94 VAL H 5.080 . 5.080 4.186 3.958 4.427 . 0 0 "[ . 1 . 2]" 1
240 1 92 THR H 1 95 GLU HA 5.480 . 5.480 6.042 5.699 6.643 1.163 6 11 "[* *-+ ** * *** *]" 1
241 1 92 THR HA 1 93 TYR H 3.390 . 3.390 3.432 3.368 3.500 0.110 5 0 "[ . 1 . 2]" 1
242 1 92 THR HA 1 93 TYR HA 4.700 . 4.700 4.745 4.665 4.841 0.141 13 0 "[ . 1 . 2]" 1
243 1 92 THR HA 1 95 GLU H 4.620 . 4.620 3.753 3.518 4.151 . 0 0 "[ . 1 . 2]" 1
244 1 92 THR HA 1 95 GLU HA 4.640 . 4.640 4.436 3.906 5.276 0.636 9 1 "[ . +1 . 2]" 1
245 1 93 TYR H 1 93 TYR HB2 3.730 . 3.730 2.541 2.426 2.635 . 0 0 "[ . 1 . 2]" 1
246 1 93 TYR H 1 93 TYR QB 3.190 . 3.190 2.492 2.390 2.575 . 0 0 "[ . 1 . 2]" 1
247 1 93 TYR H 1 93 TYR HB3 3.730 . 3.730 3.606 3.546 3.644 . 0 0 "[ . 1 . 2]" 1
248 1 93 TYR H 1 95 GLU H 4.030 . 4.030 3.832 3.567 4.048 0.018 6 0 "[ . 1 . 2]" 1
249 1 93 TYR H 1 96 LEU H 5.120 . 5.120 7.025 6.565 7.369 2.249 1 20 [+**************-****] 1
250 1 93 TYR HA 1 94 VAL HA 4.870 . 4.870 4.641 4.580 4.673 . 0 0 "[ . 1 . 2]" 1
251 1 93 TYR HA 1 142 LYS QG 5.160 . 5.160 30.572 29.826 31.363 26.203 9 20 [*****-**+***********] 1
252 1 93 TYR QB 1 94 VAL H 3.770 . 3.770 2.360 2.211 2.527 . 0 0 "[ . 1 . 2]" 1
253 1 93 TYR QB 1 94 VAL HA 4.280 . 4.280 3.807 3.606 3.947 . 0 0 "[ . 1 . 2]" 1
254 1 93 TYR QB 1 95 GLU H 4.700 . 4.700 4.329 4.190 4.452 . 0 0 "[ . 1 . 2]" 1
255 1 93 TYR QB 1 142 LYS QB 4.390 . 4.390 24.243 23.716 24.906 20.516 9 20 [*****-**+***********] 1
256 1 93 TYR QB 1 142 LYS QG 5.170 . 5.170 25.711 25.136 26.347 21.177 9 20 [*****-**+***********] 1
257 1 94 VAL H 1 95 GLU HA 4.980 . 4.980 4.623 4.523 4.736 . 0 0 "[ . 1 . 2]" 1
258 1 94 VAL H 1 96 LEU H 4.630 . 4.630 5.769 5.385 6.030 1.400 1 20 [+**************-****] 1
259 1 94 VAL H 1 96 LEU QB 5.070 . 5.070 7.511 6.692 8.114 3.044 20 20 [***************-***+] 1
260 1 94 VAL H 1 142 LYS QG 4.170 . 4.170 28.139 27.351 28.831 24.661 9 20 [****-***+***********] 1
261 1 94 VAL HA 1 142 LYS QB 5.370 . 5.370 25.083 24.331 25.963 20.593 9 20 [*****-**+***********] 1
262 1 95 GLU H 1 95 GLU HB2 4.110 . 4.110 2.494 2.384 2.631 . 0 0 "[ . 1 . 2]" 1
263 1 95 GLU H 1 95 GLU QB 3.580 . 3.580 2.290 2.240 2.339 . 0 0 "[ . 1 . 2]" 1
264 1 95 GLU H 1 95 GLU HB3 4.110 . 4.110 2.693 2.458 2.834 . 0 0 "[ . 1 . 2]" 1
265 1 95 GLU H 1 96 LEU H 3.380 . 3.380 3.319 3.129 3.467 0.087 7 0 "[ . 1 . 2]" 1
266 1 95 GLU HA 1 96 LEU H 3.390 . 3.390 3.586 3.529 3.637 0.247 1 0 "[ . 1 . 2]" 1
267 1 95 GLU HA 1 96 LEU HA 4.630 . 4.630 4.561 4.424 4.716 0.086 15 0 "[ . 1 . 2]" 1
268 1 95 GLU HA 1 96 LEU QB 5.290 . 5.290 5.289 5.117 5.437 0.147 20 0 "[ . 1 . 2]" 1
269 1 95 GLU QB 1 96 LEU HA 4.580 . 4.580 4.338 4.051 4.519 . 0 0 "[ . 1 . 2]" 1
270 1 95 GLU HB2 1 96 LEU HA 5.450 . 5.450 5.648 5.512 5.729 0.279 16 0 "[ . 1 . 2]" 1
271 1 95 GLU HB3 1 96 LEU HA 5.450 . 5.450 4.511 4.169 4.753 . 0 0 "[ . 1 . 2]" 1
272 1 96 LEU H 1 96 LEU QB . . 3.590 2.512 2.194 2.846 . 0 0 "[ . 1 . 2]" 1
273 1 96 LEU HA 1 97 PRO QB 5.500 . 5.500 5.425 5.328 5.505 0.005 15 0 "[ . 1 . 2]" 1
274 1 96 LEU HA 1 97 PRO HD2 3.620 . 3.620 6.452 5.498 7.888 4.268 12 20 [********-**+********] 1
275 1 96 LEU QB 1 99 TYR QB 4.990 . 4.990 4.704 4.093 5.210 0.220 12 0 "[ . 1 . 2]" 1
276 1 96 LEU QB 1 99 TYR HD2 5.180 . 5.180 5.615 4.355 6.338 1.158 15 13 "[* **-* 1** *+ ****]" 1
277 1 97 PRO HA 1 98 GLN HA 4.840 . 4.840 4.578 4.489 4.687 . 0 0 "[ . 1 . 2]" 1
278 1 97 PRO HD2 1 98 GLN HA 5.430 . 5.430 6.480 5.948 6.798 1.368 18 20 [**********-******+**] 1
279 1 98 GLN H 1 98 GLN HB2 3.580 . 3.580 2.565 2.452 2.684 . 0 0 "[ . 1 . 2]" 1
280 1 98 GLN H 1 98 GLN QB 2.970 . 2.970 2.296 2.227 2.361 . 0 0 "[ . 1 . 2]" 1
281 1 98 GLN H 1 98 GLN HB3 3.580 . 3.580 2.591 2.513 2.686 . 0 0 "[ . 1 . 2]" 1
282 1 98 GLN H 1 99 TYR H 3.600 . 3.600 2.687 2.587 2.754 . 0 0 "[ . 1 . 2]" 1
283 1 98 GLN H 1 99 TYR HA 5.020 . 5.020 5.321 5.174 5.396 0.376 17 0 "[ . 1 . 2]" 1
284 1 98 GLN H 1 100 GLU H 5.470 . 5.470 4.636 4.489 4.735 . 0 0 "[ . 1 . 2]" 1
285 1 98 GLN HA 1 99 TYR HA 4.900 . 4.900 4.979 4.946 5.016 0.116 17 0 "[ . 1 . 2]" 1
286 1 98 GLN HA 1 99 TYR HD2 4.930 . 4.930 7.985 7.744 8.156 3.226 5 20 [***-+***************] 1
287 1 99 TYR H 1 99 TYR QB 3.520 . 3.520 2.760 1.942 2.872 . 0 0 "[ . 1 . 2]" 1
288 1 99 TYR H 1 100 GLU H 3.330 . 3.330 2.908 2.832 2.957 . 0 0 "[ . 1 . 2]" 1
289 1 99 TYR H 1 102 THR H 5.020 . 5.020 4.975 4.833 5.108 0.088 10 0 "[ . 1 . 2]" 1
290 1 99 TYR HA 1 99 TYR HD2 4.980 . 4.980 4.170 3.936 4.664 . 0 0 "[ . 1 . 2]" 1
291 1 99 TYR HA 1 102 THR H 4.580 . 4.580 4.901 4.758 5.006 0.426 1 0 "[ . 1 . 2]" 1
292 1 99 TYR QB 1 103 PHE H 4.650 . 4.650 4.842 4.729 4.988 0.338 4 0 "[ . 1 . 2]" 1
293 1 99 TYR HB2 1 103 PHE H 5.500 . 5.500 5.414 5.229 5.874 0.374 4 0 "[ . 1 . 2]" 1
294 1 99 TYR HB3 1 103 PHE H 5.500 . 5.500 5.462 5.387 5.547 0.047 11 0 "[ . 1 . 2]" 1
295 1 99 TYR HD2 1 100 GLU H 5.500 . 5.500 4.725 4.032 5.093 . 0 0 "[ . 1 . 2]" 1
296 1 100 GLU H 1 100 GLU HB2 3.160 . 3.160 2.569 2.348 2.732 . 0 0 "[ . 1 . 2]" 1
297 1 100 GLU H 1 100 GLU HB3 3.160 . 3.160 3.605 3.489 3.688 0.528 11 3 "[ . 1+ - . *2]" 1
298 1 100 GLU H 1 101 GLU H 3.800 . 3.800 2.466 2.292 2.606 . 0 0 "[ . 1 . 2]" 1
299 1 100 GLU H 1 102 THR H 4.800 . 4.800 4.310 4.052 4.621 . 0 0 "[ . 1 . 2]" 1
300 1 100 GLU HA 1 100 GLU HG2 3.800 . 3.800 2.772 2.416 3.377 . 0 0 "[ . 1 . 2]" 1
301 1 100 GLU HA 1 100 GLU QG 3.230 . 3.230 2.652 2.343 3.175 . 0 0 "[ . 1 . 2]" 1
302 1 100 GLU HA 1 100 GLU HG3 3.800 . 3.800 3.398 2.969 3.861 0.061 5 0 "[ . 1 . 2]" 1
303 1 100 GLU HA 1 101 GLU HA 4.850 . 4.850 4.667 4.546 4.827 . 0 0 "[ . 1 . 2]" 1
304 1 100 GLU HA 1 103 PHE QB 5.340 . 5.340 4.512 4.245 4.759 . 0 0 "[ . 1 . 2]" 1
305 1 100 GLU HA 1 104 ARG H 4.420 . 4.420 2.865 2.690 3.023 . 0 0 "[ . 1 . 2]" 1
306 1 100 GLU HA 1 104 ARG HD2 5.500 . 5.500 6.138 5.097 6.969 1.469 7 12 "[*** .*+**1 ** *- * 2]" 1
307 1 100 GLU QG 1 104 ARG HD2 4.210 . 4.210 7.454 5.661 9.123 4.913 7 20 [******+**-**********] 1
308 1 101 GLU H 1 101 GLU HB2 3.240 . 3.240 2.360 2.218 2.603 . 0 0 "[ . 1 . 2]" 1
309 1 101 GLU H 1 101 GLU HB3 3.760 . 3.760 2.968 2.583 3.601 . 0 0 "[ . 1 . 2]" 1
310 1 101 GLU H 1 102 THR H 3.890 . 3.890 2.917 2.753 3.106 . 0 0 "[ . 1 . 2]" 1
311 1 101 GLU H 1 104 ARG H 4.830 . 4.830 4.543 4.398 4.688 . 0 0 "[ . 1 . 2]" 1
312 1 101 GLU HA 1 104 ARG HD2 3.990 . 3.990 8.370 6.607 9.918 5.928 8 20 [***-***+************] 1
313 1 101 GLU HB3 1 102 THR HA 4.470 . 4.470 4.749 4.541 4.934 0.464 5 0 "[ . 1 . 2]" 1
314 1 102 THR H 1 103 PHE H 3.460 . 3.460 1.929 1.831 2.057 . 0 0 "[ . 1 . 2]" 1
315 1 102 THR H 1 103 PHE QB 4.760 . 4.760 3.552 3.365 3.740 . 0 0 "[ . 1 . 2]" 1
316 1 102 THR H 1 104 ARG H 4.840 . 4.840 3.426 3.277 3.674 . 0 0 "[ . 1 . 2]" 1
317 1 102 THR H 1 105 LYS H 4.760 . 4.760 6.325 5.544 6.933 2.173 14 20 [************-+******] 1
318 1 102 THR HA 1 105 LYS QB 3.780 . 3.780 8.708 7.951 9.403 5.623 11 20 [*-********+*********] 1
319 1 103 PHE H 1 103 PHE HB2 3.600 . 3.600 2.214 2.058 2.475 . 0 0 "[ . 1 . 2]" 1
320 1 103 PHE H 1 103 PHE QB 3.150 . 3.150 2.161 2.034 2.346 . 0 0 "[ . 1 . 2]" 1
321 1 103 PHE H 1 103 PHE HB3 3.600 . 3.600 3.095 2.763 3.314 . 0 0 "[ . 1 . 2]" 1
322 1 103 PHE H 1 105 LYS H 4.430 . 4.430 4.603 3.819 5.162 0.732 20 7 "[ *. *1* -.* * +]" 1
323 1 103 PHE H 1 107 GLN HA 5.500 . 5.500 5.170 4.887 5.516 0.016 10 0 "[ . 1 . 2]" 1
324 1 103 PHE HA 1 105 LYS H 3.980 . 3.980 4.325 4.097 4.530 0.550 16 2 "[ . 1 .+ -]" 1
325 1 103 PHE HA 1 107 GLN HA 3.930 . 3.930 4.971 4.782 5.272 1.342 2 20 [*+*****************-] 1
326 1 103 PHE HA 1 107 GLN QB 5.500 . 5.500 5.731 5.560 5.959 0.459 4 0 "[ . 1 . 2]" 1
327 1 103 PHE HA 1 107 GLN QG 5.150 . 5.150 7.351 6.740 7.462 2.312 12 20 [***********+******-*] 1
328 1 103 PHE HA 1 108 LEU H 3.700 . 3.700 7.837 7.399 8.555 4.855 19 20 [***************-**+*] 1
329 1 104 ARG H 1 104 ARG HB2 3.890 . 3.890 3.822 3.512 4.005 0.115 9 0 "[ . 1 . 2]" 1
330 1 104 ARG H 1 104 ARG QB 3.350 . 3.350 3.142 2.816 3.442 0.092 16 0 "[ . 1 . 2]" 1
331 1 104 ARG H 1 104 ARG HB3 3.890 . 3.890 3.484 2.889 4.111 0.221 17 0 "[ . 1 . 2]" 1
332 1 104 ARG H 1 104 ARG HD2 4.900 . 4.900 4.999 3.530 5.542 0.642 7 6 "[** . +- 1 * . * 2]" 1
333 1 104 ARG H 1 105 LYS H 3.370 . 3.370 3.410 2.861 3.792 0.422 11 0 "[ . 1 . 2]" 1
334 1 104 ARG H 1 105 LYS HA 5.310 . 5.310 5.440 5.197 5.620 0.310 14 0 "[ . 1 . 2]" 1
335 1 104 ARG QB 1 104 ARG HD2 3.410 . 3.410 2.367 2.290 2.433 . 0 0 "[ . 1 . 2]" 1
336 1 104 ARG QB 1 105 LYS H 4.270 . 4.270 3.143 1.992 4.059 . 0 0 "[ . 1 . 2]" 1
337 1 104 ARG HB2 1 104 ARG HD2 4.060 . 4.060 3.007 2.318 3.674 . 0 0 "[ . 1 . 2]" 1
338 1 104 ARG HB3 1 104 ARG HD2 4.060 . 4.060 3.019 2.367 3.655 . 0 0 "[ . 1 . 2]" 1
339 1 105 LYS H 1 105 LYS QB 3.070 . 3.070 2.641 2.332 2.945 . 0 0 "[ . 1 . 2]" 1
340 1 105 LYS QB 1 106 LEU H 3.590 . 3.590 1.995 1.711 2.222 . 0 0 "[ . 1 . 2]" 1
341 1 105 LYS QB 1 106 LEU HB3 4.680 . 4.680 4.020 3.328 5.054 0.374 8 0 "[ . 1 . 2]" 1
342 1 106 LEU H 1 106 LEU HB2 3.740 . 3.740 3.604 2.395 3.958 0.218 3 0 "[ . 1 . 2]" 1
343 1 106 LEU H 1 106 LEU HB3 3.370 . 3.370 3.169 2.646 3.852 0.482 8 0 "[ . 1 . 2]" 1
344 1 106 LEU H 1 108 LEU H 4.990 . 4.990 5.381 4.791 7.109 2.119 7 4 "[ .*+ 1 * . -2]" 1
345 1 106 LEU HA 1 106 LEU HB3 2.900 . 2.900 2.621 2.403 3.038 0.138 6 0 "[ . 1 . 2]" 1
346 1 106 LEU HA 1 107 GLN QB 5.050 . 5.050 4.317 4.169 4.637 . 0 0 "[ . 1 . 2]" 1
347 1 106 LEU HA 1 107 GLN QG 4.500 . 4.500 3.850 3.614 3.962 . 0 0 "[ . 1 . 2]" 1
348 1 107 GLN HA 1 107 GLN QG 2.790 . 2.790 3.456 3.324 3.517 0.727 13 20 [************+*****-*] 1
349 1 107 GLN QB 1 108 LEU HA 5.080 . 5.080 4.211 3.554 4.413 . 0 0 "[ . 1 . 2]" 1
350 1 108 LEU H 1 109 SER H 4.660 . 4.660 2.884 2.562 3.853 . 0 0 "[ . 1 . 2]" 1
351 1 109 SER H 1 110 GLY H 4.380 . 4.380 2.901 2.761 2.959 . 0 0 "[ . 1 . 2]" 1
352 1 109 SER H 1 112 ALA H 4.180 . 4.180 4.776 4.729 4.891 0.711 13 20 [***-********+*******] 1
353 1 110 GLY H 1 111 HIS H 3.970 . 3.970 2.730 2.637 2.798 . 0 0 "[ . 1 . 2]" 1
354 1 110 GLY H 1 113 MET H 5.150 . 5.150 4.652 4.528 4.718 . 0 0 "[ . 1 . 2]" 1
355 1 111 HIS H 1 111 HIS QB 3.120 . 3.120 2.161 1.993 2.235 . 0 0 "[ . 1 . 2]" 1
356 1 111 HIS H 1 113 MET H 3.870 . 3.870 4.048 3.849 4.187 0.317 12 0 "[ . 1 . 2]" 1
357 1 111 HIS HA 1 111 HIS HD2 4.610 . 4.610 4.486 4.323 4.601 . 0 0 "[ . 1 . 2]" 1
358 1 111 HIS HA 1 114 PRO HD2 4.700 . 4.700 4.828 4.506 5.080 0.380 5 0 "[ . 1 . 2]" 1
359 1 111 HIS HA 1 115 ARG H 5.400 . 5.400 3.737 3.407 4.131 . 0 0 "[ . 1 . 2]" 1
360 1 111 HIS HD2 1 115 ARG H 5.500 . 5.500 8.060 7.835 8.351 2.851 13 20 [***-********+*******] 1
361 1 112 ALA HA 1 114 PRO HD2 4.530 . 4.530 7.022 6.508 7.399 2.869 4 20 [***+********-*******] 1
362 1 112 ALA HA 1 115 ARG HA 5.180 . 5.180 5.778 5.573 5.915 0.735 12 16 "[* *** *****+ *-*** *]" 1
363 1 112 ALA HA 1 115 ARG HD2 4.650 . 4.650 6.632 5.621 7.814 3.164 16 20 [***-***********+****] 1
364 1 113 MET H 1 115 ARG H 4.760 . 4.760 4.584 4.438 4.703 . 0 0 "[ . 1 . 2]" 1
365 1 113 MET H 1 116 LEU H 4.980 . 4.980 4.696 4.422 5.163 0.183 11 0 "[ . 1 . 2]" 1
366 1 113 MET HA 1 115 ARG H 5.070 . 5.070 5.263 5.187 5.411 0.341 6 0 "[ . 1 . 2]" 1
367 1 113 MET HA 1 117 ALA H 5.220 . 5.220 7.437 7.204 7.679 2.459 11 20 [*-********+*********] 1
368 1 113 MET HA 1 143 ALA HA 4.610 . 4.610 21.626 21.182 21.979 17.369 7 20 [******+**********-**] 1
369 1 114 PRO HA 1 115 ARG HA 4.980 . 4.980 4.515 4.420 4.593 . 0 0 "[ . 1 . 2]" 1
370 1 114 PRO HA 1 116 LEU H 4.930 . 4.930 5.104 4.586 5.611 0.681 13 5 "[ * .-* 1* + . 2]" 1
371 1 114 PRO HA 1 118 VAL H 5.410 . 5.410 7.852 7.148 8.592 3.182 13 20 [***********-+*******] 1
372 1 114 PRO HD2 1 116 LEU H 4.450 . 4.450 5.625 5.235 5.869 1.419 7 20 [******+-************] 1
373 1 115 ARG H 1 115 ARG HB2 3.850 . 3.850 2.450 2.336 2.579 . 0 0 "[ . 1 . 2]" 1
374 1 115 ARG H 1 115 ARG HB3 3.750 . 3.750 2.923 2.711 3.546 . 0 0 "[ . 1 . 2]" 1
375 1 115 ARG H 1 115 ARG HD2 5.500 . 5.500 5.021 3.758 5.308 . 0 0 "[ . 1 . 2]" 1
376 1 115 ARG H 1 116 LEU H 3.580 . 3.580 2.531 2.400 2.728 . 0 0 "[ . 1 . 2]" 1
377 1 115 ARG HB2 1 115 ARG HD2 4.100 . 4.100 3.623 2.746 3.978 . 0 0 "[ . 1 . 2]" 1
378 1 115 ARG HB3 1 115 ARG HD2 4.190 . 4.190 3.239 2.720 3.935 . 0 0 "[ . 1 . 2]" 1
379 1 116 LEU H 1 117 ALA H 3.410 . 3.410 3.290 3.133 3.546 0.136 3 0 "[ . 1 . 2]" 1
380 1 116 LEU H 1 118 VAL H 4.510 . 4.510 2.930 2.626 3.869 . 0 0 "[ . 1 . 2]" 1
381 1 117 ALA HA 1 140 GLN H 4.710 . 4.710 34.346 33.807 34.912 30.202 6 20 [*****+***********-**] 1
382 1 118 VAL HA 1 119 THR HA 4.440 . 4.440 4.316 4.244 4.437 . 0 0 "[ . 1 . 2]" 1
383 1 119 THR HA 1 136 ARG QB 4.800 . 4.800 19.720 18.336 20.944 16.144 8 20 [*******+****-*******] 1
384 1 119 THR HA 1 136 ARG HD2 4.680 . 4.680 24.058 21.607 25.792 21.112 8 20 [*******+**-*********] 1
385 1 120 ASN H 1 120 ASN HB2 3.880 . 3.880 2.486 2.267 2.695 . 0 0 "[ . 1 . 2]" 1
386 1 120 ASN H 1 120 ASN QB 3.330 . 3.330 2.442 2.241 2.632 . 0 0 "[ . 1 . 2]" 1
387 1 120 ASN H 1 120 ASN HB3 3.880 . 3.880 3.604 3.536 3.684 . 0 0 "[ . 1 . 2]" 1
388 1 120 ASN HA 1 136 ARG QB 4.510 . 4.510 18.314 18.050 18.738 14.228 8 20 [*-*****+************] 1
389 1 120 ASN QB 1 124 THR H 5.340 . 5.340 8.209 7.550 8.980 3.640 1 20 [+-******************] 1
390 1 120 ASN QB 1 132 ASP QB 4.110 . 4.110 13.608 12.954 14.023 9.913 8 20 [*******+******-*****] 1
391 1 120 ASN QB 1 135 HIS H 5.140 . 5.140 18.031 17.508 18.400 13.260 8 20 [*******+**********-*] 1
392 1 120 ASN QB 1 136 ARG HA 4.960 . 4.960 19.459 18.736 19.906 14.946 8 20 [*******+**********-*] 1
393 1 120 ASN QB 1 136 ARG QB 4.770 . 4.770 16.088 15.568 16.497 11.727 8 20 [*******+**********-*] 1
394 1 121 THR HA 1 121 THR MG 2.650 . 2.650 2.313 2.241 2.376 . 0 0 "[ . 1 . 2]" 1
395 1 122 THR HA 1 123 MET HA 5.500 . 5.500 4.075 3.953 4.352 . 0 0 "[ . 1 . 2]" 1
396 1 124 THR HA 1 128 LEU QB 3.300 . 3.300 5.563 5.131 5.875 2.575 16 20 [*********-*****+****] 1
397 1 126 THR HA 1 127 VAL HA 4.920 . 4.920 4.875 4.790 4.920 . 0 0 "[ . 1 . 2]" 1
398 1 127 VAL HA 1 128 LEU HA 5.500 . 5.500 4.802 4.420 4.913 . 0 0 "[ . 1 . 2]" 1
399 1 127 VAL HA 1 128 LEU QB . . 4.730 5.415 5.349 5.521 0.791 12 20 [***********+****-***] 1
400 1 128 LEU H 1 128 LEU QB 3.490 . 3.490 2.337 2.188 2.502 . 0 0 "[ . 1 . 2]" 1
401 1 128 LEU HA 1 129 LYS HA 4.840 . 4.840 4.782 4.658 4.838 . 0 0 "[ . 1 . 2]" 1
402 1 128 LEU QB 1 129 LYS QB 4.760 . 4.760 4.193 3.783 4.556 . 0 0 "[ . 1 . 2]" 1
403 1 129 LYS QB 1 135 HIS H 4.800 . 4.800 7.587 7.135 8.101 3.301 13 20 [*********-**+*******] 1
404 1 129 LYS QB 1 135 HIS HA 5.030 . 5.030 9.362 8.845 9.848 4.818 13 20 [*********-**+*******] 1
405 1 131 THR HA 1 132 ASP QB 4.880 . 4.880 5.053 4.971 5.121 0.241 2 0 "[ . 1 . 2]" 1
406 1 131 THR HA 1 135 HIS H 5.140 . 5.140 6.907 6.594 7.236 2.096 19 20 [*******-**********+*] 1
407 1 132 ASP H 1 132 ASP HB2 3.870 . 3.870 2.729 1.980 2.879 . 0 0 "[ . 1 . 2]" 1
408 1 132 ASP H 1 132 ASP HB3 3.870 . 3.870 2.563 2.456 3.330 . 0 0 "[ . 1 . 2]" 1
409 1 132 ASP H 1 133 ARG H 3.860 . 3.860 2.188 1.999 2.353 . 0 0 "[ . 1 . 2]" 1
410 1 132 ASP H 1 133 ARG HA 5.500 . 5.500 4.678 4.545 4.848 . 0 0 "[ . 1 . 2]" 1
411 1 132 ASP QB 1 133 ARG H 3.940 . 3.940 3.263 2.885 3.559 . 0 0 "[ . 1 . 2]" 1
412 1 133 ARG H 1 135 HIS H 4.520 . 4.520 4.645 4.388 4.891 0.371 17 0 "[ . 1 . 2]" 1
413 1 133 ARG HA 1 133 ARG QB 2.600 . 2.600 2.389 2.355 2.408 . 0 0 "[ . 1 . 2]" 1
414 1 133 ARG HA 1 135 HIS H 4.900 . 4.900 4.066 3.874 4.373 . 0 0 "[ . 1 . 2]" 1
415 1 133 ARG HA 1 136 ARG H 4.210 . 4.210 5.237 5.090 5.378 1.168 12 20 [***********+*-******] 1
416 1 133 ARG HA 1 137 GLN H 4.330 . 4.330 6.022 5.726 6.271 1.941 15 20 [*************-+*****] 1
417 1 133 ARG QB 1 134 SER HA 4.360 . 4.360 4.492 4.368 4.761 0.401 8 0 "[ . 1 . 2]" 1
418 1 133 ARG QB 1 135 HIS H 5.330 . 5.330 2.490 2.327 2.791 . 0 0 "[ . 1 . 2]" 1
419 1 134 SER H 1 135 HIS H 4.360 . 4.360 2.521 2.227 2.708 . 0 0 "[ . 1 . 2]" 1
420 1 134 SER H 1 135 HIS HA 5.500 . 5.500 5.123 4.860 5.309 . 0 0 "[ . 1 . 2]" 1
421 1 134 SER H 1 137 GLN HB2 5.500 . 5.500 5.587 4.869 6.350 0.850 20 5 "[* . 1 * .- * +]" 1
422 1 134 SER HA 1 137 GLN H 3.930 . 3.930 3.488 3.163 3.818 . 0 0 "[ . 1 . 2]" 1
423 1 134 SER HA 1 137 GLN HB2 3.250 . 3.250 3.114 2.120 3.932 0.682 1 4 "[+ . 1 - . * *]" 1
424 1 134 SER QB 1 135 HIS H 3.690 . 3.690 2.797 2.473 3.001 . 0 0 "[ . 1 . 2]" 1
425 1 134 SER QB 1 135 HIS HA 5.340 . 5.340 3.925 3.738 4.038 . 0 0 "[ . 1 . 2]" 1
426 1 134 SER QB 1 137 GLN HB2 4.940 . 4.940 4.685 3.518 5.508 0.568 1 4 "[+ . 1 - . * *]" 1
427 1 135 HIS H 1 137 GLN HB2 5.500 . 5.500 5.433 4.751 6.153 0.653 13 3 "[* . 1 + . -]" 1
428 1 136 ARG H 1 136 ARG QB 3.200 . 3.200 2.186 2.062 2.268 . 0 0 "[ . 1 . 2]" 1
429 1 136 ARG H 1 137 GLN H 3.220 . 3.220 2.542 2.437 2.685 . 0 0 "[ . 1 . 2]" 1
430 1 136 ARG QB 1 137 GLN H 5.500 . 5.500 3.048 2.817 3.178 . 0 0 "[ . 1 . 2]" 1
431 1 137 GLN H 1 137 GLN HB2 2.870 . 2.870 2.628 2.430 2.837 . 0 0 "[ . 1 . 2]" 1
432 1 137 GLN H 1 137 GLN HB3 3.690 . 3.690 2.864 2.298 3.642 . 0 0 "[ . 1 . 2]" 1
433 1 137 GLN H 1 138 LYS H 3.200 . 3.200 2.353 2.252 2.481 . 0 0 "[ . 1 . 2]" 1
434 1 137 GLN H 1 139 LEU H 4.570 . 4.570 6.503 6.383 6.660 2.090 2 20 [*+-*****************] 1
435 1 137 GLN HA 1 137 GLN HB3 2.740 . 2.740 2.844 2.478 3.038 0.298 20 0 "[ . 1 . 2]" 1
436 1 138 LYS H 1 138 LYS HB2 3.710 . 3.710 2.369 2.327 2.420 . 0 0 "[ . 1 . 2]" 1
437 1 138 LYS H 1 138 LYS QB 2.970 . 2.970 2.338 2.299 2.385 . 0 0 "[ . 1 . 2]" 1
438 1 138 LYS H 1 138 LYS HB3 3.710 . 3.710 3.593 3.563 3.607 . 0 0 "[ . 1 . 2]" 1
439 1 138 LYS H 1 138 LYS HE3 5.500 . 5.500 4.354 4.089 4.693 . 0 0 "[ . 1 . 2]" 1
440 1 138 LYS H 1 139 LEU H 3.500 . 3.500 4.434 4.372 4.503 1.003 16 20 [***************+**-*] 1
441 1 138 LYS H 1 140 GLN H 4.590 . 4.590 7.893 7.675 8.014 3.424 19 20 [*********-********+*] 1
442 1 138 LYS HA 1 138 LYS QB 2.560 . 2.560 2.441 2.409 2.461 . 0 0 "[ . 1 . 2]" 1
443 1 138 LYS HA 1 138 LYS HE3 5.500 . 5.500 5.157 5.096 5.202 . 0 0 "[ . 1 . 2]" 1
444 1 138 LYS HA 1 141 LEU QB 3.040 . 3.040 6.570 6.186 6.893 3.853 2 20 [*+***-**************] 1
445 1 138 LYS HB2 1 138 LYS HE3 5.500 . 5.500 2.582 2.483 2.754 . 0 0 "[ . 1 . 2]" 1
446 1 138 LYS HB3 1 138 LYS HE3 5.500 . 5.500 3.431 3.183 3.545 . 0 0 "[ . 1 . 2]" 1
447 1 139 LEU H 1 140 GLN H 3.610 . 3.610 4.423 4.365 4.494 0.884 9 20 [********+********-**] 1
448 1 139 LEU H 1 141 LEU H 4.280 . 4.280 5.043 4.772 5.206 0.926 15 19 "[***** ********+**-**]" 1
449 1 141 LEU H 1 141 LEU QB . . 3.040 2.347 2.218 2.519 . 0 0 "[ . 1 . 2]" 1
450 1 141 LEU H 1 142 LYS H 3.410 . 3.410 2.728 2.637 2.833 . 0 0 "[ . 1 . 2]" 1
451 1 141 LEU H 1 143 ALA H 4.530 . 4.530 4.339 4.185 4.483 . 0 0 "[ . 1 . 2]" 1
452 1 141 LEU H 1 144 LEU H 4.710 . 4.710 4.690 4.635 4.765 0.055 8 0 "[ . 1 . 2]" 1
453 1 141 LEU HA 1 144 LEU H 4.830 . 4.830 3.604 3.497 3.741 . 0 0 "[ . 1 . 2]" 1
454 1 141 LEU QB 1 142 LYS H 3.280 . 3.280 2.516 2.298 2.628 . 0 0 "[ . 1 . 2]" 1
455 1 141 LEU QB 1 142 LYS HA 5.210 . 5.210 3.951 3.709 4.250 . 0 0 "[ . 1 . 2]" 1
456 1 141 LEU QB 1 145 ASP QB 5.500 . 5.500 5.270 4.784 5.867 0.367 17 0 "[ . 1 . 2]" 1
457 1 142 LYS H 1 142 LYS QB . . 3.180 2.404 2.334 2.513 . 0 0 "[ . 1 . 2]" 1
458 1 142 LYS H 1 142 LYS QG 4.430 . 4.430 2.165 1.934 2.347 . 0 0 "[ . 1 . 2]" 1
459 1 142 LYS H 1 143 ALA H 3.410 . 3.410 2.688 2.567 2.768 . 0 0 "[ . 1 . 2]" 1
460 1 142 LYS H 1 143 ALA HA 5.450 . 5.450 5.247 5.150 5.295 . 0 0 "[ . 1 . 2]" 1
461 1 142 LYS H 1 144 LEU H 4.570 . 4.570 3.942 3.840 4.032 . 0 0 "[ . 1 . 2]" 1
462 1 142 LYS HA 1 142 LYS QG 3.670 . 3.670 2.909 2.806 3.120 . 0 0 "[ . 1 . 2]" 1
463 1 142 LYS QB 1 143 ALA H 3.650 . 3.650 2.387 2.253 2.531 . 0 0 "[ . 1 . 2]" 1
464 1 142 LYS QB 1 146 THR H 5.500 . 5.500 4.828 4.782 4.875 . 0 0 "[ . 1 . 2]" 1
465 1 143 ALA H 1 144 LEU H 3.650 . 3.650 2.626 2.566 2.734 . 0 0 "[ . 1 . 2]" 1
466 1 143 ALA H 1 144 LEU HA 5.500 . 5.500 5.130 5.076 5.211 . 0 0 "[ . 1 . 2]" 1
467 1 143 ALA H 1 145 ASP H 4.770 . 4.770 4.387 4.331 4.453 . 0 0 "[ . 1 . 2]" 1
468 1 143 ALA H 1 146 THR H 5.500 . 5.500 4.654 4.616 4.690 . 0 0 "[ . 1 . 2]" 1
469 1 143 ALA HA 1 146 THR H 3.990 . 3.990 3.260 3.202 3.307 . 0 0 "[ . 1 . 2]" 1
470 1 143 ALA HA 1 147 VAL H 4.280 . 4.280 3.641 3.587 3.716 . 0 0 "[ . 1 . 2]" 1
471 1 144 LEU H 1 145 ASP H 3.480 . 3.480 2.807 2.747 2.869 . 0 0 "[ . 1 . 2]" 1
472 1 144 LEU H 1 145 ASP QB 5.150 . 5.150 5.128 5.046 5.207 0.057 5 0 "[ . 1 . 2]" 1
473 1 144 LEU HA 1 145 ASP HA 4.870 . 4.870 4.659 4.606 4.702 . 0 0 "[ . 1 . 2]" 1
474 1 144 LEU HA 1 147 VAL HA 5.500 . 5.500 5.642 5.556 5.739 0.239 13 0 "[ . 1 . 2]" 1
475 1 145 ASP H 1 145 ASP QB 3.530 . 3.530 2.603 2.550 2.656 . 0 0 "[ . 1 . 2]" 1
476 1 145 ASP H 1 146 THR H 3.590 . 3.590 2.516 2.409 2.627 . 0 0 "[ . 1 . 2]" 1
477 1 145 ASP H 1 148 LEU H 4.910 . 4.910 4.846 4.800 4.887 . 0 0 "[ . 1 . 2]" 1
478 1 145 ASP HA 1 146 THR HA 4.730 . 4.730 4.730 4.691 4.756 0.026 5 0 "[ . 1 . 2]" 1
479 1 145 ASP QB 1 146 THR H 4.400 . 4.400 3.574 3.544 3.603 . 0 0 "[ . 1 . 2]" 1
480 1 145 ASP QB 1 146 THR HA 5.050 . 5.050 4.393 4.327 4.438 . 0 0 "[ . 1 . 2]" 1
481 1 146 THR H 1 147 VAL H 3.570 . 3.570 2.580 2.537 2.647 . 0 0 "[ . 1 . 2]" 1
482 1 146 THR H 1 148 LEU H 4.480 . 4.480 4.021 3.980 4.095 . 0 0 "[ . 1 . 2]" 1
483 1 146 THR H 1 149 PHE H 4.870 . 4.870 4.676 4.597 4.731 . 0 0 "[ . 1 . 2]" 1
484 1 146 THR HA 1 147 VAL HA 5.000 . 5.000 4.731 4.673 4.779 . 0 0 "[ . 1 . 2]" 1
485 1 146 THR HA 1 148 LEU H 4.570 . 4.570 4.444 4.378 4.547 . 0 0 "[ . 1 . 2]" 1
486 1 146 THR HA 1 150 GLY H 3.400 . 3.400 4.065 3.977 4.221 0.821 7 20 [**-***+*************] 1
487 1 147 VAL H 1 148 LEU H 3.570 . 3.570 2.667 2.622 2.746 . 0 0 "[ . 1 . 2]" 1
488 1 147 VAL H 1 149 PHE H 5.140 . 5.140 4.288 4.227 4.322 . 0 0 "[ . 1 . 2]" 1
489 1 148 LEU H 1 148 LEU MD1 4.290 . 4.290 3.673 3.637 3.707 . 0 0 "[ . 1 . 2]" 1
490 1 148 LEU H 1 149 PHE H 3.210 . 3.210 2.723 2.671 2.766 . 0 0 "[ . 1 . 2]" 1
491 1 148 LEU H 1 150 GLY H 4.500 . 4.500 3.955 3.882 4.027 . 0 0 "[ . 1 . 2]" 1
492 1 148 LEU HA 1 148 LEU MD1 3.880 . 3.880 4.186 4.169 4.204 0.324 1 0 "[ . 1 . 2]" 1
493 1 149 PHE H 1 150 GLY H 3.030 . 3.030 2.543 2.482 2.598 . 0 0 "[ . 1 . 2]" 1
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