NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
623624 |
5lme   |
34028 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lme
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 594
_Distance_constraint_stats_list.Viol_count 14256
_Distance_constraint_stats_list.Viol_total 174590.578
_Distance_constraint_stats_list.Viol_max 2.841
_Distance_constraint_stats_list.Viol_rms 0.4246
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5103
_Distance_constraint_stats_list.Viol_average_violations_only 0.5103
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 16.688 0.811 11 24 [**********+**-**********]
1 2 MET 32.470 1.232 17 21 "[*** ****** * ***+*******]"
1 3 LYS 180.693 2.023 22 24 [**************-******+**]
1 4 LYS 241.802 2.841 1 24 [+***********************]
1 5 ARG 306.094 2.841 1 24 [+******-****************]
1 6 THR 310.948 2.261 2 24 [*+**********************]
1 7 TYR 633.906 2.261 2 24 [*+**********-***********]
1 8 CYS 407.676 1.905 8 24 [*******+**-*************]
1 9 THR 568.268 1.874 9 24 [*-******+***************]
1 10 TYR 660.616 2.050 22 24 [************-********+**]
1 11 CYS 313.017 2.317 19 24 [*************-****+*****]
1 12 PRO 352.192 2.264 16 24 [***************+-*******]
1 13 SER 107.417 2.287 2 24 [-+**********************]
1 14 LYS 219.953 2.146 19 24 [******-***********+*****]
1 15 ILE 488.030 2.317 19 24 [****************-*+*****]
1 16 ARG 333.938 2.287 2 24 [*+*****-****************]
1 17 ARG 262.923 2.213 6 24 [*****+*************-****]
1 18 LYS 309.468 1.859 6 24 [*****+***********-******]
1 19 ALA 436.842 1.910 15 24 [*********-****+*********]
1 20 ASN 244.442 2.408 14 24 [*********-***+**********]
1 21 ALA 256.221 2.748 12 24 [***********+***********-]
1 22 SER 334.289 1.737 15 24 [**-***********+*********]
1 23 CYS 389.494 1.756 18 24 [********-********+******]
1 24 LYS 249.029 2.374 11 24 [**********+******-******]
1 26 CYS 116.974 2.326 8 24 [*******+**********-*****]
1 27 LYS 215.470 2.014 8 24 [*******+*******-********]
1 28 LYS 343.926 1.549 17 24 [****************+******-]
1 29 VAL 659.029 2.125 5 24 [****+*******-***********]
1 30 ILE 917.204 2.537 12 24 [*-*********+************]
1 31 CYS 412.699 1.913 14 24 [****-********+**********]
1 32 ARG 268.579 2.408 14 24 [*************+**-*******]
1 33 GLU 134.620 2.006 15 24 [**************+****-****]
1 34 HIS 430.520 2.264 16 24 [*-*************+********]
1 35 ASN 202.076 2.285 10 24 [*********+*********-****]
1 37 ASP 242.444 2.748 12 24 [*********-*+************]
1 38 MET 302.199 2.468 10 24 [*********+************-*]
1 39 CYS 383.527 2.374 11 24 [**********+-************]
1 40 GLN 255.422 2.077 6 24 [*****+*********-********]
1 41 SER 109.644 1.584 19 24 [***********-******+*****]
1 42 CYS 123.194 2.326 8 24 [*******+**-*************]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 1 VAL QG 2.948 2.948 2.948 2.253 2.137 2.366 0.811 11 24 [**********+**-**********] 1
2 1 2 MET HA 1 2 MET QG 3.676 3.676 3.676 2.979 2.444 3.516 1.232 17 17 "[*** .***** - **+*** * *]" 1
3 1 2 MET HA 1 3 LYS H 2.388 2.388 2.388 2.346 2.108 3.369 0.981 5 1 "[ + 1 . 2 ]" 1
4 1 2 MET QB 1 3 LYS H 3.360 3.360 3.360 3.516 2.517 4.028 0.843 24 9 "[ * . * ** *. - 2* *+]" 1
5 1 3 LYS H 1 3 LYS QB 3.467 3.467 3.467 2.815 2.271 3.356 1.196 2 15 "[-+*** ** * * .*** * ** ]" 1
6 1 3 LYS H 1 3 LYS QD 2.684 2.684 2.684 3.306 1.658 4.704 2.020 19 18 "[***** **** * -***+* ** ]" 1
7 1 3 LYS H 1 3 LYS QG 3.100 3.100 3.100 3.108 2.474 4.119 1.019 16 9 "[ * *. * 1 * *.+ *- *]" 1
8 1 3 LYS H 1 4 LYS H 3.285 3.285 3.285 3.632 2.439 4.562 1.277 5 14 "[***-+ * ** **.*** 2 *]" 1
9 1 3 LYS HA 1 3 LYS QD 2.286 2.286 2.286 2.827 1.972 4.175 1.889 19 9 "[* - * ** 1 * . *+* ]" 1
10 1 3 LYS HA 1 3 LYS QG 2.758 2.758 2.758 2.754 2.331 3.488 0.730 13 3 "[* - 1 + . 2 ]" 1
11 1 3 LYS HA 1 4 LYS H 2.152 2.152 2.152 2.349 2.109 3.008 0.856 10 2 "[ . +- . 2 ]" 1
12 1 3 LYS QB 1 3 LYS QD 2.080 2.080 2.080 2.332 2.106 2.762 0.682 6 4 "[ -.+ 1 . * 2 * ]" 1
13 1 3 LYS QB 1 4 LYS H 2.704 2.704 2.704 3.591 2.112 3.920 1.216 2 22 "[*+**.******* ****-******]" 1
14 1 3 LYS QD 1 3 LYS QG 2.074 2.074 2.074 2.074 2.008 2.093 0.066 17 0 "[ . 1 . 2 ]" 1
15 1 3 LYS QE 1 3 LYS QG 2.630 2.630 2.630 2.358 2.132 2.793 0.498 5 0 "[ . 1 . 2 ]" 1
16 1 3 LYS QG 1 4 LYS H 2.824 2.824 2.824 4.324 3.034 4.847 2.023 22 22 "[ -************* *****+**]" 1
17 1 4 LYS H 1 4 LYS QB 2.367 2.367 2.367 2.468 2.226 3.280 0.913 5 3 "[- * + 1 . 2 ]" 1
18 1 4 LYS H 1 4 LYS QG 2.801 2.801 2.801 2.968 2.166 4.209 1.408 12 12 "[** .** ** + *-** *2 ]" 1
19 1 4 LYS H 1 5 ARG H 2.709 2.709 2.709 2.516 2.029 4.381 1.672 16 4 "[ - . * 1* .+ 2 ]" 1
20 1 4 LYS HA 1 4 LYS QB 2.321 2.321 2.321 2.365 2.167 2.427 0.154 1 0 "[ . 1 . 2 ]" 1
21 1 4 LYS HA 1 4 LYS QD 2.527 2.527 2.527 2.556 1.937 4.245 1.718 1 13 "[+ *** * **** . * 2-* *]" 1
22 1 4 LYS HA 1 4 LYS QG 2.675 2.675 2.675 2.844 2.351 3.459 0.784 3 2 "[- + . 1 . 2 ]" 1
23 1 4 LYS HA 1 5 ARG H 2.223 2.223 2.223 3.267 2.140 3.538 1.315 18 22 "[-***.********** *+******]" 1
24 1 4 LYS QB 1 4 LYS QG 2.111 2.111 2.111 2.014 1.982 2.087 0.129 11 0 "[ . 1 . 2 ]" 1
25 1 4 LYS QB 1 5 ARG H 2.482 2.482 2.482 3.129 2.435 4.047 1.565 1 10 "[+ * * * 1 ***.* 2- * ]" 1
26 1 4 LYS QD 1 4 LYS QG 2.147 2.147 2.147 2.065 2.005 2.092 0.142 22 0 "[ . 1 . 2 ]" 1
27 1 4 LYS QD 1 5 ARG H 2.854 2.854 2.854 4.578 2.918 5.695 2.841 1 23 "[+*-************ ********]" 1
28 1 4 LYS QE 1 4 LYS QG 2.775 2.775 2.775 2.371 2.136 2.791 0.639 10 7 "[ ***- +** . 2 ]" 1
29 1 4 LYS QG 1 5 ARG H 3.476 3.476 3.476 4.166 3.204 4.789 1.313 5 17 "[ *+ ******** * -*****]" 1
30 1 5 ARG H 1 5 ARG HA 2.429 2.429 2.429 2.895 2.836 2.942 0.513 5 4 "[ + * * .- 2 ]" 1
31 1 5 ARG H 1 5 ARG QB 2.460 2.460 2.460 2.430 2.248 2.750 0.290 1 0 "[ . 1 . 2 ]" 1
32 1 5 ARG H 1 5 ARG QG 2.861 2.861 2.861 2.591 2.063 3.954 1.093 15 6 "[* .* 1 + - **]" 1
33 1 5 ARG H 1 6 THR H 3.437 3.437 3.437 2.894 2.423 3.411 1.014 10 14 "[*** .* -*+* * * *** *]" 1
34 1 5 ARG HA 1 5 ARG QB 2.291 2.291 2.291 2.363 2.169 2.445 0.154 15 0 "[ . 1 . 2 ]" 1
35 1 5 ARG HA 1 5 ARG QD 2.909 2.909 2.909 3.759 2.006 4.495 1.586 24 23 [****.******-***********+] 1
36 1 5 ARG HA 1 5 ARG QG 2.759 2.759 2.759 2.579 2.286 3.357 0.598 6 3 "[* .+ 1 . 2 -]" 1
37 1 5 ARG HA 1 6 THR H 2.486 2.486 2.486 2.929 2.469 3.374 0.888 3 11 "[*-+ .* *** . * ** *]" 1
38 1 5 ARG HA 1 7 TYR H 3.281 3.281 3.281 3.451 2.993 4.283 1.002 10 4 "[ - . + . * * ]" 1
39 1 5 ARG HA 1 29 VAL H 3.611 3.611 3.611 4.428 3.555 5.736 2.125 5 16 "[* **+* * 1** ******2- * ]" 1
40 1 5 ARG HA 1 29 VAL QG 3.137 3.137 3.137 2.356 1.935 3.147 1.202 24 19 "[*** .****** * .*-******+]" 1
41 1 5 ARG QB 1 5 ARG QD 2.319 2.319 2.319 2.241 2.110 2.369 0.209 9 0 "[ . 1 . 2 ]" 1
42 1 5 ARG QB 1 6 THR H 3.196 3.196 3.196 3.752 3.122 3.999 0.803 6 17 "[** **+** 1 ***-** *2 ***]" 1
43 1 5 ARG QB 1 29 VAL QG 2.706 2.706 2.706 2.278 1.791 3.194 0.915 5 9 "[ + * 1-* .* *2* **]" 1
44 1 5 ARG QD 1 5 ARG QG 2.285 2.285 2.285 2.050 1.994 2.092 0.291 15 0 "[ . 1 . 2 ]" 1
45 1 5 ARG QD 1 29 VAL QG 2.949 2.949 2.949 3.097 2.267 3.998 1.049 13 7 "[ ** -*1 + . 2 * *]" 1
46 1 5 ARG QG 1 6 THR H 3.611 3.611 3.611 4.372 2.996 4.786 1.175 12 22 "[ **** *****+***********-]" 1
47 1 5 ARG QG 1 29 VAL QG 2.943 2.943 2.943 3.016 1.830 3.957 1.113 15 5 "[- .* 1 *+ * ]" 1
48 1 6 THR H 1 6 THR HB 3.032 3.032 3.032 2.576 2.477 2.681 0.555 8 4 "[ . + * . 2- * ]" 1
49 1 6 THR H 1 6 THR MG 3.094 3.094 3.094 3.810 3.747 3.856 0.762 7 24 [**-***+*****************] 1
50 1 6 THR H 1 29 VAL QG 3.334 3.334 3.334 3.610 3.149 4.015 0.681 3 4 "[ + * 1- . * 2 ]" 1
51 1 6 THR HA 1 6 THR HB 2.440 2.440 2.440 3.027 3.016 3.033 0.593 19 24 [***********-******+*****] 1
52 1 6 THR HA 1 6 THR MG 2.302 2.302 2.302 2.371 2.275 2.453 0.151 2 0 "[ . 1 . 2 ]" 1
53 1 6 THR HA 1 7 TYR H 2.467 2.467 2.467 3.409 3.264 3.525 1.058 10 24 [*********+***-**********] 1
54 1 6 THR HA 1 7 TYR QD 3.190 3.190 3.190 5.149 4.869 5.451 2.261 2 24 [*+***********-**********] 1
55 1 6 THR HA 1 19 ALA MB 3.107 3.107 3.107 3.850 3.452 4.191 1.084 21 21 "[*** * -************+***]" 1
56 1 6 THR HA 1 29 VAL QG 2.991 2.991 2.991 3.396 2.834 4.198 1.207 16 10 "[ * * * -* .+ * 2* **]" 1
57 1 6 THR HB 1 6 THR MG 2.212 2.212 2.212 2.134 2.130 2.137 0.082 10 0 "[ . 1 . 2 ]" 1
58 1 6 THR HB 1 7 TYR H 2.878 2.878 2.878 3.040 2.529 3.408 0.530 14 1 "[ . 1 +. 2 ]" 1
59 1 6 THR HB 1 7 TYR QD 3.129 3.129 3.129 3.040 2.465 3.572 0.664 20 1 "[ . 1 . + ]" 1
60 1 6 THR HB 1 7 TYR QE 3.243 3.243 3.243 3.529 3.128 4.125 0.882 2 5 "[ +* . * - .* 2 ]" 1
61 1 6 THR MG 1 7 TYR H 2.891 2.891 2.891 3.856 3.437 4.100 1.209 1 24 [+********-**************] 1
62 1 6 THR MG 1 7 TYR HA 3.453 3.453 3.453 3.865 3.566 4.134 0.681 1 8 "[+ .** 1** *. -2* ]" 1
63 1 6 THR MG 1 7 TYR QD 3.081 3.081 3.081 3.821 3.358 4.353 1.272 6 20 "[*****+* *1*********2*- *]" 1
64 1 6 THR MG 1 7 TYR QE 2.994 2.994 2.994 3.724 3.267 4.359 1.365 6 20 "[*****+* ********** 2-* *]" 1
65 1 6 THR MG 1 18 LYS HA 3.397 3.397 3.397 3.658 3.299 4.254 0.857 21 4 "[ .** 1 . 2+- ]" 1
66 1 6 THR MG 1 19 ALA H 3.351 3.351 3.351 3.763 3.319 4.390 1.039 21 7 "[ . * .*- 2+***]" 1
67 1 7 TYR H 1 7 TYR HA 2.977 2.977 2.977 2.935 2.927 2.944 0.050 12 0 "[ . 1 . 2 ]" 1
68 1 7 TYR H 1 7 TYR QB 2.839 2.839 2.839 2.467 2.385 2.548 0.454 4 0 "[ . 1 . 2 ]" 1
69 1 7 TYR H 1 7 TYR QD 2.721 2.721 2.721 2.944 2.609 3.331 0.610 21 2 "[ . 1 - . 2+ ]" 1
70 1 7 TYR H 1 8 CYS H 3.251 3.251 3.251 4.452 4.397 4.486 1.235 5 24 [****+*******-***********] 1
71 1 7 TYR H 1 29 VAL QG 2.350 2.350 2.350 3.192 2.850 3.634 1.284 16 24 [************-**+********] 1
72 1 7 TYR HA 1 7 TYR QD 2.374 2.374 2.374 2.740 2.416 3.034 0.660 7 8 "[ *. +* 1 ** * * - ]" 1
73 1 7 TYR HA 1 8 CYS H 2.592 2.592 2.592 2.198 2.144 2.269 0.448 24 0 "[ . 1 . 2 ]" 1
74 1 7 TYR HA 1 18 LYS HA 2.293 2.293 2.293 2.336 2.063 2.853 0.560 21 1 "[ . 1 . 2+ ]" 1
75 1 7 TYR HA 1 19 ALA H 2.709 2.709 2.709 2.569 2.308 2.865 0.401 21 0 "[ . 1 . 2 ]" 1
76 1 7 TYR HA 1 19 ALA MB 2.907 2.907 2.907 3.204 2.864 3.547 0.640 24 3 "[ . 1 * - 2 +]" 1
77 1 7 TYR HA 1 29 VAL QG 3.399 3.399 3.399 4.017 3.800 4.420 1.021 16 17 "[*** ** * *** -*+ **2* **]" 1
78 1 7 TYR QB 1 7 TYR QD 2.332 2.332 2.332 2.135 2.130 2.144 0.202 14 0 "[ . 1 . 2 ]" 1
79 1 7 TYR QB 1 8 CYS H 2.773 2.773 2.773 2.795 2.593 2.924 0.180 23 0 "[ . 1 . 2 ]" 1
80 1 7 TYR QB 1 17 ARG H 3.523 3.523 3.523 3.476 2.796 4.238 0.727 21 3 "[ . 1- . 2+ *]" 1
81 1 7 TYR QB 1 18 LYS HA 3.737 3.737 3.737 3.992 3.743 4.330 0.593 10 1 "[ . + . 2 ]" 1
82 1 7 TYR QD 1 8 CYS H 2.954 2.954 2.954 3.689 3.481 3.906 0.952 14 24 [*-***********+**********] 1
83 1 7 TYR QD 1 16 ARG HA 2.971 2.971 2.971 3.006 2.736 3.442 0.471 5 0 "[ . 1 . 2 ]" 1
84 1 7 TYR QD 1 16 ARG QB 3.145 3.145 3.145 3.574 2.999 4.079 0.934 3 9 "[ + . * *1 *.*- *2 **]" 1
85 1 7 TYR QD 1 16 ARG QG 3.160 3.160 3.160 4.326 3.549 5.390 2.230 7 22 "[****-*+***** ******* ***]" 1
86 1 7 TYR QD 1 17 ARG H 3.033 3.033 3.033 3.159 2.750 3.723 0.690 6 2 "[ .+ 1 . 2 -]" 1
87 1 7 TYR QD 1 17 ARG HA 3.422 3.422 3.422 3.700 3.096 4.197 0.775 3 5 "[ + .** -1 . 2 *]" 1
88 1 7 TYR QD 1 18 LYS H 3.007 3.007 3.007 3.561 3.261 3.994 0.987 24 15 "[*** .** ** * *** -** +]" 1
89 1 7 TYR QD 1 18 LYS HA 2.420 2.420 2.420 2.801 2.346 3.137 0.717 15 9 "[ *. -* 1 * *+ * * *]" 1
90 1 7 TYR QD 1 18 LYS QB 3.090 3.090 3.090 4.485 4.204 4.684 1.594 8 24 [****-**+****************] 1
91 1 7 TYR QD 1 18 LYS QD 2.934 2.934 2.934 3.123 2.514 3.420 0.486 8 0 "[ . 1 . 2 ]" 1
92 1 7 TYR QD 1 18 LYS QG 2.952 2.952 2.952 3.604 3.221 3.973 1.021 19 20 "[****.*-******** *+**** ]" 1
93 1 7 TYR QD 1 19 ALA H 2.999 2.999 2.999 4.462 3.643 4.909 1.910 15 24 [**************+*****-***] 1
94 1 7 TYR QE 1 16 ARG HA 2.955 2.955 2.955 3.739 2.739 4.598 1.643 6 17 "[** **+ * **** * **-*** ]" 1
95 1 7 TYR QE 1 16 ARG QB 2.666 2.666 2.666 2.729 2.433 3.172 0.506 12 1 "[ . 1 + . 2 ]" 1
96 1 7 TYR QE 1 16 ARG QG 3.056 3.056 3.056 4.072 3.451 4.897 1.841 7 22 "[******+*** ****-****** *]" 1
97 1 7 TYR QE 1 17 ARG H 3.312 3.312 3.312 4.745 4.329 5.525 2.213 6 24 [*-***+******************] 1
98 1 7 TYR QE 1 18 LYS H 3.279 3.279 3.279 4.085 3.707 4.734 1.455 24 20 "[* * *** **** ****-*****+]" 1
99 1 7 TYR QE 1 18 LYS HA 2.966 2.966 2.966 3.940 3.410 4.370 1.404 24 23 "[************-******* **+]" 1
100 1 7 TYR QE 1 18 LYS QD 2.648 2.648 2.648 2.454 2.004 3.133 0.644 9 4 "[ **. +1 . - 2 ]" 1
101 1 7 TYR QE 1 18 LYS QE 2.776 2.776 2.776 2.781 2.104 4.188 1.412 12 13 "[ * *** *1 +**.-* ** *]" 1
102 1 7 TYR QE 1 18 LYS QG 2.856 2.856 2.856 3.116 2.725 3.600 0.744 9 2 "[ - . +1 . 2 ]" 1
103 1 8 CYS H 1 8 CYS HA 2.943 2.943 2.943 2.771 2.732 2.803 0.211 10 0 "[ . 1 . 2 ]" 1
104 1 8 CYS H 1 8 CYS QB 2.746 2.746 2.746 2.191 2.143 2.225 0.603 3 24 [**+*****-***************] 1
105 1 8 CYS H 1 11 CYS QB 2.945 2.945 2.945 3.635 3.333 3.839 0.894 10 23 "[-* ******+**************]" 1
106 1 8 CYS H 1 17 ARG H 3.817 3.817 3.817 4.184 3.638 4.744 0.927 14 9 "[ *-. * *1 +.* *2 **]" 1
107 1 8 CYS H 1 18 LYS HA 2.857 2.857 2.857 3.471 3.058 3.869 1.012 21 18 "[** ***-****** . * **+** ]" 1
108 1 8 CYS H 1 19 ALA H 2.846 2.846 2.846 3.383 3.182 3.650 0.804 14 15 "[* * * * **** +* ***2 -*]" 1
109 1 8 CYS H 1 19 ALA HA 3.495 3.495 3.495 3.819 3.547 4.139 0.644 14 3 "[ . 1 * +. - 2 ]" 1
110 1 8 CYS H 1 19 ALA MB 3.172 3.172 3.172 2.774 2.505 3.045 0.667 13 8 "[* . * -1 +*. **2* ]" 1
111 1 8 CYS H 1 31 CYS H 3.403 3.403 3.403 5.165 4.986 5.308 1.905 8 24 [*******+*-**************] 1
112 1 8 CYS HA 1 9 THR H 2.546 2.546 2.546 2.104 2.080 2.134 0.466 6 0 "[ . 1 . 2 ]" 1
113 1 8 CYS HA 1 10 TYR H 3.652 3.652 3.652 3.722 3.606 3.822 0.170 17 0 "[ . 1 . 2 ]" 1
114 1 8 CYS HA 1 11 CYS H 3.764 3.764 3.764 4.279 4.209 4.524 0.760 6 13 "[ *-+ *** * .* * * ***]" 1
115 1 8 CYS HA 1 11 CYS QB 3.115 3.115 3.115 4.393 4.280 4.492 1.377 10 24 [**-******+**************] 1
116 1 8 CYS HA 1 19 ALA MB 2.685 2.685 2.685 2.152 1.941 2.405 0.744 3 14 "[* + * * -1 *******2* *]" 1
117 1 8 CYS HA 1 29 VAL HB 3.548 3.548 3.548 3.806 3.581 3.992 0.444 9 0 "[ . 1 . 2 ]" 1
118 1 8 CYS HA 1 29 VAL QG 2.735 2.735 2.735 2.454 2.260 2.652 0.475 22 0 "[ . 1 . 2 ]" 1
119 1 8 CYS HA 1 30 ILE HA 2.923 2.923 2.923 2.657 2.329 2.894 0.594 9 3 "[ . +1- . 2 * ]" 1
120 1 8 CYS HA 1 30 ILE MG 3.357 3.357 3.357 4.155 3.798 4.311 0.954 24 23 "[******** *************-+]" 1
121 1 8 CYS HA 1 31 CYS H 3.585 3.585 3.585 3.829 3.680 3.972 0.387 8 0 "[ . 1 . 2 ]" 1
122 1 8 CYS QB 1 9 THR H 3.182 3.182 3.182 3.758 3.705 3.806 0.624 13 24 [*****-******+***********] 1
123 1 8 CYS QB 1 11 CYS H 2.959 2.959 2.959 3.034 2.911 3.294 0.335 6 0 "[ . 1 . 2 ]" 1
124 1 8 CYS QB 1 11 CYS QB 2.925 2.925 2.925 1.955 1.870 2.067 1.055 23 24 [**************-*******+*] 1
125 1 8 CYS QB 1 19 ALA H 3.579 3.579 3.579 4.270 4.071 4.486 0.907 14 23 "[*-***********+********* ]" 1
126 1 8 CYS QB 1 19 ALA MB 3.019 3.019 3.019 2.766 2.246 3.107 0.773 14 2 "[ . 1 +. - 2 ]" 1
127 1 8 CYS QB 1 30 ILE HA 3.357 3.357 3.357 3.081 2.895 3.216 0.462 23 0 "[ . 1 . 2 ]" 1
128 1 8 CYS QB 1 31 CYS H 3.329 3.329 3.329 2.552 2.368 2.690 0.961 15 24 [*******-******+*********] 1
129 1 8 CYS QB 1 31 CYS QB 2.834 2.834 2.834 2.020 1.829 2.193 1.005 6 24 [*****+**-***************] 1
130 1 9 THR H 1 9 THR HA 2.785 2.785 2.785 2.820 2.785 2.845 0.060 16 0 "[ . 1 . 2 ]" 1
131 1 9 THR H 1 9 THR HB 2.846 2.846 2.846 2.562 2.474 2.675 0.372 15 0 "[ . 1 . 2 ]" 1
132 1 9 THR H 1 9 THR MG 2.921 2.921 2.921 3.734 3.716 3.747 0.826 16 24 [********-******+********] 1
133 1 9 THR H 1 10 TYR H 3.168 3.168 3.168 2.598 2.534 2.705 0.634 16 22 "[-******* ******+****** *]" 1
134 1 9 THR H 1 10 TYR QD 3.544 3.544 3.544 3.903 3.561 4.762 1.218 18 3 "[ . * 1 . -+ 2 ]" 1
135 1 9 THR H 1 11 CYS H 3.634 3.634 3.634 3.989 3.913 4.079 0.445 6 0 "[ . 1 . 2 ]" 1
136 1 9 THR H 1 19 ALA MB 3.235 3.235 3.235 3.760 3.595 3.960 0.725 22 13 "[ - *.* ***** * * * +* ]" 1
137 1 9 THR H 1 29 VAL H 3.514 3.514 3.514 3.923 3.471 4.340 0.826 5 5 "[ +- *1* . 2 * ]" 1
138 1 9 THR H 1 29 VAL HB 3.214 3.214 3.214 4.538 4.287 4.859 1.645 9 24 [**-*****+***************] 1
139 1 9 THR H 1 29 VAL QG 2.959 2.959 2.959 2.557 2.322 2.939 0.637 19 6 "[ ** . - . *+2* ]" 1
140 1 9 THR H 1 30 ILE HA 3.122 3.122 3.122 2.995 2.725 3.292 0.397 23 0 "[ . 1 . 2 ]" 1
141 1 9 THR H 1 30 ILE MG 3.309 3.309 3.309 3.454 3.045 3.715 0.406 18 0 "[ . 1 . 2 ]" 1
142 1 9 THR H 1 31 CYS H 3.556 3.556 3.556 4.812 4.686 4.956 1.400 22 24 [****-****************+**] 1
143 1 9 THR HA 1 9 THR HB 2.376 2.376 2.376 3.023 3.017 3.027 0.651 7 24 [******+***-*************] 1
144 1 9 THR HA 1 9 THR MG 2.225 2.225 2.225 2.355 2.282 2.403 0.178 15 0 "[ . 1 . 2 ]" 1
145 1 9 THR HA 1 10 TYR H 3.382 3.382 3.382 3.478 3.428 3.501 0.119 17 0 "[ . 1 . 2 ]" 1
146 1 9 THR HA 1 10 TYR QD 3.618 3.618 3.618 4.749 4.569 4.986 1.368 22 24 [*-*******************+**] 1
147 1 9 THR HA 1 11 CYS H 3.660 3.660 3.660 3.982 3.773 4.147 0.487 12 0 "[ . 1 . 2 ]" 1
148 1 9 THR HA 1 29 VAL QG 2.747 2.747 2.747 4.058 3.799 4.390 1.643 9 24 [**-*****+***************] 1
149 1 9 THR HB 1 9 THR MG 2.354 2.354 2.354 2.133 2.130 2.134 0.224 17 0 "[ . 1 . 2 ]" 1
150 1 9 THR HB 1 10 TYR H 3.209 3.209 3.209 2.929 2.755 3.116 0.454 17 0 "[ . 1 . 2 ]" 1
151 1 9 THR HB 1 10 TYR QD 2.878 2.878 2.878 2.608 2.382 3.187 0.496 2 0 "[ . 1 . 2 ]" 1
152 1 9 THR HB 1 10 TYR QE 2.962 2.962 2.962 3.768 3.205 4.269 1.307 7 21 "[***** + *************-*]" 1
153 1 9 THR HB 1 11 CYS H 3.382 3.382 3.382 4.959 4.835 5.159 1.777 10 24 [*********+*************-] 1
154 1 9 THR HB 1 28 LYS QB 3.187 3.187 3.187 2.861 2.640 3.241 0.547 16 2 "[ - . 1 .+ 2 ]" 1
155 1 9 THR HB 1 28 LYS QG 3.749 3.749 3.749 4.372 3.471 4.704 0.955 6 17 "[ -* *+* *1****.** ** ***]" 1
156 1 9 THR HB 1 29 VAL H 3.991 3.991 3.991 4.066 3.510 4.873 0.882 9 2 "[ . +1 . 2 - ]" 1
157 1 9 THR HB 1 30 ILE MG 3.421 3.421 3.421 3.319 2.911 3.651 0.510 9 1 "[ . +1 . 2 ]" 1
158 1 9 THR MG 1 10 TYR H 3.286 3.286 3.286 3.811 3.636 3.934 0.648 6 16 "[* **+ **** -*.* ***** ]" 1
159 1 9 THR MG 1 10 TYR HA 3.514 3.514 3.514 3.786 3.651 3.921 0.407 11 0 "[ . 1 . 2 ]" 1
160 1 9 THR MG 1 10 TYR QD 2.908 2.908 2.908 3.491 2.948 3.836 0.928 22 17 "[* -*** **** *** ***+* ]" 1
161 1 9 THR MG 1 10 TYR QE 2.774 2.774 2.774 4.024 3.561 4.292 1.518 11 24 [**********+******-******] 1
162 1 9 THR MG 1 28 LYS HA 3.400 3.400 3.400 4.319 3.907 4.754 1.354 9 24 [*******-+***************] 1
163 1 9 THR MG 1 28 LYS QB 2.633 2.633 2.633 2.853 2.530 3.270 0.637 18 1 "[ . 1 . + 2 ]" 1
164 1 9 THR MG 1 28 LYS QD 3.119 3.119 3.119 2.538 2.136 4.090 0.983 17 18 "[*****-* 1* ***+ ******]" 1
165 1 9 THR MG 1 28 LYS QE 3.528 3.528 3.528 3.553 2.796 4.438 0.910 13 7 "[ *.* 1* + * *- ]" 1
166 1 9 THR MG 1 28 LYS QG 2.787 2.787 2.787 3.056 2.178 3.387 0.609 1 5 "[+ -* 1 ** . 2 ]" 1
167 1 9 THR MG 1 29 VAL H 2.884 2.884 2.884 4.336 3.933 4.758 1.874 9 24 [*-******+***************] 1
168 1 9 THR MG 1 30 ILE MG 3.254 3.254 3.254 4.411 4.110 4.693 1.439 22 24 [********-************+**] 1
169 1 10 TYR H 1 10 TYR HA 2.983 2.983 2.983 2.884 2.837 2.925 0.146 17 0 "[ . 1 . 2 ]" 1
170 1 10 TYR H 1 10 TYR QB 2.837 2.837 2.837 2.245 2.175 2.340 0.662 7 22 "[***** +-********* ******]" 1
171 1 10 TYR H 1 10 TYR QD 2.622 2.622 2.622 2.411 2.245 3.010 0.388 18 0 "[ . 1 . 2 ]" 1
172 1 10 TYR H 1 10 TYR QE 3.555 3.555 3.555 4.708 4.586 4.811 1.256 7 24 [***-**+*****************] 1
173 1 10 TYR H 1 11 CYS H 2.536 2.536 2.536 2.368 2.285 2.501 0.251 8 0 "[ . 1 . 2 ]" 1
174 1 10 TYR H 1 30 ILE HA 3.676 3.676 3.676 3.378 3.167 3.551 0.509 7 1 "[ . + 1 . 2 ]" 1
175 1 10 TYR HA 1 10 TYR QB 2.513 2.513 2.513 2.458 2.406 2.486 0.107 18 0 "[ . 1 . 2 ]" 1
176 1 10 TYR HA 1 10 TYR QD 2.353 2.353 2.353 2.893 1.915 3.079 0.726 6 19 "[* ***+ ***** *** *****-]" 1
177 1 10 TYR HA 1 11 CYS H 3.179 3.179 3.179 3.402 3.202 3.470 0.291 17 0 "[ . 1 . 2 ]" 1
178 1 10 TYR HA 1 30 ILE MG 3.687 3.687 3.687 4.645 4.313 4.940 1.253 6 24 [*****+-*****************] 1
179 1 10 TYR QB 1 10 TYR QD 2.395 2.395 2.395 2.153 2.128 2.326 0.267 16 0 "[ . 1 . 2 ]" 1
180 1 10 TYR QB 1 11 CYS H 3.182 3.182 3.182 3.073 2.865 3.458 0.317 17 0 "[ . 1 . 2 ]" 1
181 1 10 TYR QB 1 30 ILE MG 2.579 2.579 2.579 2.864 2.587 3.092 0.513 23 1 "[ . 1 . 2 + ]" 1
182 1 10 TYR QB 1 34 HIS QB 4.011 4.011 4.011 2.636 2.312 3.143 1.699 2 24 [*+********************-*] 1
183 1 10 TYR QB 1 34 HIS HD2 3.103 3.103 3.103 4.159 3.977 4.439 1.336 6 24 [*****+**********-*******] 1
184 1 10 TYR QB 1 34 HIS HE1 3.369 3.369 3.369 3.213 2.722 3.654 0.647 7 2 "[ . + 1 . 2 - ]" 1
185 1 10 TYR QD 1 30 ILE HA 3.335 3.335 3.335 4.115 3.824 4.690 1.355 18 23 "[******* *-*******+******]" 1
186 1 10 TYR QD 1 30 ILE HB 3.162 3.162 3.162 4.485 3.964 4.843 1.681 2 24 [*+***************-******] 1
187 1 10 TYR QD 1 30 ILE MD 3.200 3.200 3.200 4.745 4.337 5.028 1.828 19 24 [*****************-+*****] 1
188 1 10 TYR QD 1 30 ILE MG 2.279 2.279 2.279 2.261 2.025 2.697 0.418 18 0 "[ . 1 . 2 ]" 1
189 1 10 TYR QD 1 34 HIS QB 2.619 2.619 2.619 3.468 2.130 4.176 1.557 23 22 "[**************** *-**+*]" 1
190 1 10 TYR QD 1 34 HIS HE1 3.497 3.497 3.497 5.025 4.419 5.547 2.050 22 24 [******-**************+**] 1
191 1 10 TYR QD 1 39 CYS QB 2.624 2.624 2.624 3.862 3.517 4.257 1.633 19 24 [******************+**-**] 1
192 1 10 TYR QE 1 28 LYS QB 2.775 2.775 2.775 3.630 2.946 4.324 1.549 17 20 "[*-***** *1***** +**** **]" 1
193 1 10 TYR QE 1 30 ILE MD 3.215 3.215 3.215 4.532 3.759 4.809 1.594 22 24 [*****************-***+**] 1
194 1 10 TYR QE 1 30 ILE MG 2.325 2.325 2.325 3.005 2.754 3.214 0.889 7 22 "[***-**+**1******* ******]" 1
195 1 10 TYR QE 1 39 CYS HA 2.919 2.919 2.919 4.042 3.264 4.375 1.456 22 23 "[**********-****** ***+**]" 1
196 1 10 TYR QE 1 39 CYS QB 2.405 2.405 2.405 2.213 1.885 2.849 0.520 6 1 "[ .+ 1 . 2 ]" 1
197 1 10 TYR QE 1 40 GLN H 3.181 3.181 3.181 3.232 2.853 3.911 0.730 22 1 "[ . 1 . 2 + ]" 1
198 1 10 TYR QE 1 40 GLN QG 3.356 3.356 3.356 3.638 2.131 4.866 1.510 17 13 "[* * * 1** ** + *-** *]" 1
199 1 10 TYR QE 1 41 SER H 3.439 3.439 3.439 3.869 3.350 4.854 1.415 19 6 "[ . * *1 . -*+2* ]" 1
200 1 10 TYR QE 1 41 SER QB 3.289 3.289 3.289 3.932 3.180 4.873 1.584 19 16 "[* **.* *1****.* *+*- **]" 1
201 1 11 CYS H 1 11 CYS HA 2.915 2.915 2.915 2.906 2.879 2.934 0.036 10 0 "[ . 1 . 2 ]" 1
202 1 11 CYS H 1 11 CYS QB 2.660 2.660 2.660 2.254 2.215 2.348 0.445 10 0 "[ . 1 . 2 ]" 1
203 1 11 CYS H 1 12 PRO QD 3.404 3.404 3.404 4.314 4.188 4.416 1.012 19 24 [**************-***+*****] 1
204 1 11 CYS H 1 34 HIS HE1 3.179 3.179 3.179 4.042 3.710 4.610 1.431 6 24 [*****+**************-***] 1
205 1 11 CYS HA 1 12 PRO QD 2.484 2.484 2.484 1.891 1.839 1.929 0.645 6 24 [*****+-*****************] 1
206 1 11 CYS HA 1 12 PRO QG 2.894 2.894 2.894 3.795 3.747 3.837 0.943 7 24 [******+***********-*****] 1
207 1 11 CYS HA 1 15 ILE MG 3.370 3.370 3.370 4.681 3.983 5.687 2.317 19 24 [*-****************+*****] 1
208 1 11 CYS HA 1 34 HIS HE1 2.177 2.177 2.177 2.455 2.075 3.075 0.898 6 5 "[ -.+ 1 .* 2 **]" 1
209 1 11 CYS QB 1 12 PRO QD 3.312 3.312 3.312 2.838 2.429 3.139 0.883 19 10 "[ * . ** *-. * +* ** ]" 1
210 1 11 CYS QB 1 15 ILE MG 3.269 3.269 3.269 3.302 2.760 4.198 0.929 19 3 "[ - . 1 . +2 * ]" 1
211 1 11 CYS QB 1 34 HIS HE1 3.260 3.260 3.260 3.998 3.822 4.270 1.010 6 24 [*****+**************-***] 1
212 1 12 PRO HA 1 12 PRO QD 2.588 2.588 2.588 3.410 3.348 3.485 0.897 19 24 [***********-******+*****] 1
213 1 12 PRO HA 1 12 PRO QG 2.860 2.860 2.860 3.002 2.908 3.168 0.308 19 0 "[ . 1 . 2 ]" 1
214 1 12 PRO HA 1 13 SER H 2.836 2.836 2.836 2.206 2.142 2.312 0.694 19 24 [**********-*******+*****] 1
215 1 12 PRO HA 1 13 SER HA 3.538 3.538 3.538 4.288 4.225 4.348 0.810 9 24 [*-******+***************] 1
216 1 12 PRO HA 1 14 LYS H 3.224 3.224 3.224 3.980 3.781 4.434 1.210 11 24 [********-*+*************] 1
217 1 12 PRO QB 1 12 PRO QD 3.196 3.196 3.196 2.790 2.763 2.820 0.433 10 0 "[ . 1 . 2 ]" 1
218 1 12 PRO QB 1 13 SER H 3.477 3.477 3.477 3.089 2.833 3.341 0.644 2 5 "[ + .* -* * 2 ]" 1
219 1 12 PRO QB 1 14 LYS H 2.958 2.958 2.958 2.853 2.594 3.136 0.364 6 0 "[ . 1 . 2 ]" 1
220 1 12 PRO QB 1 15 ILE H 3.142 3.142 3.142 2.806 2.657 3.003 0.485 9 0 "[ . 1 . 2 ]" 1
221 1 12 PRO QB 1 15 ILE MD 2.989 2.989 2.989 3.378 3.080 3.708 0.719 11 7 "[ * .* * 1+ * - 2* ]" 1
222 1 12 PRO QD 1 15 ILE H 3.243 3.243 3.243 4.202 3.966 4.435 1.192 16 24 [*********-*****+********] 1
223 1 12 PRO QD 1 15 ILE MD 3.314 3.314 3.314 3.635 2.227 4.210 1.087 10 8 "[ * * - +* * . *2 * ]" 1
224 1 12 PRO QD 1 15 ILE MG 2.865 2.865 2.865 3.300 2.889 3.673 0.808 5 8 "[ + * *1 * -.* *2 *]" 1
225 1 12 PRO QD 1 34 HIS HE1 2.729 2.729 2.729 3.310 2.878 3.920 1.191 16 11 "[ -**.** 1 *.+ **2 **]" 1
226 1 12 PRO QG 1 15 ILE H 3.561 3.561 3.561 4.519 4.353 4.740 1.179 16 24 [********-******+********] 1
227 1 12 PRO QG 1 15 ILE MD 2.818 2.818 2.818 3.296 2.188 3.791 0.973 11 11 "[-* .* * *+ * * * 2* * ]" 1
228 1 12 PRO QG 1 15 ILE MG 2.987 2.987 2.987 4.398 3.942 4.775 1.788 12 24 [***********+**********-*] 1
229 1 12 PRO QG 1 34 HIS HE1 3.437 3.437 3.437 5.088 4.691 5.701 2.264 16 24 [****-**********+********] 1
230 1 13 SER H 1 13 SER QB 3.250 3.250 3.250 2.480 2.233 2.598 1.017 16 24 [***************+**-*****] 1
231 1 13 SER H 1 14 LYS H 3.384 3.384 3.384 2.708 2.634 2.862 0.750 12 24 [**********-+************] 1
232 1 13 SER HA 1 13 SER QB 2.149 2.149 2.149 2.343 2.300 2.377 0.228 21 0 "[ . 1 . 2 ]" 1
233 1 13 SER HA 1 14 LYS H 3.246 3.246 3.246 3.463 3.380 3.556 0.310 11 0 "[ . 1 . 2 ]" 1
234 1 13 SER HA 1 15 ILE H 3.508 3.508 3.508 3.715 3.457 3.962 0.454 22 0 "[ . 1 . 2 ]" 1
235 1 13 SER HA 1 16 ARG H 3.623 3.623 3.623 3.730 3.027 5.910 2.287 2 6 "[-+ * *** . 2 ]" 1
236 1 13 SER QB 1 14 LYS H 3.023 3.023 3.023 2.967 2.553 3.159 0.470 11 0 "[ . 1 . 2 ]" 1
237 1 14 LYS H 1 14 LYS HA 2.637 2.637 2.637 2.868 2.815 2.908 0.271 8 0 "[ . 1 . 2 ]" 1
238 1 14 LYS H 1 14 LYS QB 2.615 2.615 2.615 2.393 2.190 2.568 0.425 19 0 "[ . 1 . 2 ]" 1
239 1 14 LYS H 1 14 LYS QD 2.453 2.453 2.453 3.458 2.325 3.839 1.386 13 21 "[**-**** ****+*** * *****]" 1
240 1 14 LYS H 1 14 LYS QG 2.639 2.639 2.639 2.529 2.165 3.623 0.984 17 3 "[ . * 1 . + -2 ]" 1
241 1 14 LYS H 1 15 ILE H 3.024 3.024 3.024 2.470 2.349 2.612 0.675 6 18 "[** **+ * * ** **-* *****]" 1
242 1 14 LYS HA 1 14 LYS QB 2.267 2.267 2.267 2.382 2.171 2.482 0.215 19 0 "[ . 1 . 2 ]" 1
243 1 14 LYS HA 1 14 LYS QD 2.332 2.332 2.332 2.432 1.878 4.243 1.911 13 4 "[ . 1 *+ . 2 * -]" 1
244 1 14 LYS HA 1 14 LYS QG 2.580 2.580 2.580 2.803 2.347 3.354 0.774 13 1 "[ . 1 + . 2 ]" 1
245 1 14 LYS HA 1 15 ILE H 3.072 3.072 3.072 3.388 3.262 3.475 0.403 9 0 "[ . 1 . 2 ]" 1
246 1 14 LYS HA 1 16 ARG H 3.415 3.415 3.415 4.240 3.621 4.859 1.444 6 18 "[** **+-****** * ** *** ]" 1
247 1 14 LYS QB 1 14 LYS QD 1.808 . 1.808 2.287 2.105 2.369 0.561 3 14 "[* +*- * ** *****2* * ]" 1
248 1 14 LYS QB 1 14 LYS QG 2.009 2.009 2.009 2.012 1.991 2.085 0.076 13 0 "[ . 1 . 2 ]" 1
249 1 14 LYS QB 1 15 ILE H 2.812 2.812 2.812 3.138 2.829 3.769 0.957 13 3 "[ . * 1 + .- 2 ]" 1
250 1 14 LYS QD 1 14 LYS QG 2.258 2.258 2.258 2.089 2.084 2.092 0.174 5 0 "[ . 1 . 2 ]" 1
251 1 14 LYS QE 1 14 LYS QG 2.437 2.437 2.437 2.260 2.135 2.373 0.302 15 0 "[ . 1 . 2 ]" 1
252 1 14 LYS QG 1 15 ILE H 2.710 2.710 2.710 4.309 2.845 4.856 2.146 19 23 "[********-*** *****+*****]" 1
253 1 15 ILE H 1 15 ILE HA 2.853 2.853 2.853 2.904 2.864 2.943 0.090 5 0 "[ . 1 . 2 ]" 1
254 1 15 ILE H 1 15 ILE HB 2.810 2.810 2.810 2.529 2.443 2.641 0.367 17 0 "[ . 1 . 2 ]" 1
255 1 15 ILE H 1 15 ILE MD 2.784 2.784 2.784 3.393 3.145 3.948 1.164 5 18 "[-***+* * ** ****** ** * ]" 1
256 1 15 ILE H 1 15 ILE QG 2.690 2.690 2.690 2.358 2.201 2.663 0.489 19 0 "[ . 1 . 2 ]" 1
257 1 15 ILE H 1 15 ILE MG 3.119 3.119 3.119 3.797 3.763 3.848 0.729 5 24 [****+***********-*******] 1
258 1 15 ILE H 1 16 ARG H 2.847 2.847 2.847 2.549 2.136 3.791 0.944 5 17 "[****+* * ** **.* **- **]" 1
259 1 15 ILE HA 1 15 ILE HB 2.204 2.204 2.204 3.024 3.020 3.027 0.823 23 24 [***********-**********+*] 1
260 1 15 ILE HA 1 15 ILE MD 2.282 2.282 2.282 2.194 2.003 3.848 1.566 5 2 "[ + - . 2 ]" 1
261 1 15 ILE HA 1 15 ILE QG 2.633 2.633 2.633 2.917 2.415 3.052 0.419 11 0 "[ . 1 . 2 ]" 1
262 1 15 ILE HA 1 15 ILE MG 2.824 2.824 2.824 2.416 2.342 2.481 0.482 11 0 "[ . 1 . 2 ]" 1
263 1 15 ILE HA 1 16 ARG H 3.041 3.041 3.041 3.286 2.261 3.562 0.780 5 8 "[ * +* - *** . 2* ]" 1
264 1 15 ILE HB 1 15 ILE MD 2.282 2.282 2.282 3.169 2.411 3.239 0.957 19 22 [****.*-**1********+*****] 1
265 1 15 ILE HB 1 16 ARG H 3.637 3.637 3.637 3.071 2.406 4.457 1.231 6 22 "[*****+*******-**** *** *]" 1
266 1 15 ILE MD 1 15 ILE MG 1.999 . 1.999 1.963 1.885 2.029 0.114 13 0 "[ . 1 . 2 ]" 1
267 1 15 ILE MD 1 16 ARG H 3.557 3.557 3.557 4.643 4.071 5.596 2.039 10 24 [*-*******+**************] 1
268 1 15 ILE QG 1 15 ILE MG 2.340 2.340 2.340 2.293 2.239 2.347 0.101 7 0 "[ . 1 . 2 ]" 1
269 1 15 ILE QG 1 16 ARG H 3.319 3.319 3.319 4.119 3.800 4.837 1.518 2 23 "[*+*** *****-************]" 1
270 1 15 ILE MG 1 17 ARG H 3.667 3.667 3.667 3.369 2.799 3.877 0.868 24 8 "[ *** *1 - .** 2 +]" 1
271 1 15 ILE MG 1 17 ARG QD 3.542 3.542 3.542 3.310 2.445 4.088 1.097 6 6 "[** .+ * * . - 2 ]" 1
272 1 15 ILE MG 1 17 ARG QG 2.846 2.846 2.846 3.200 1.936 4.336 1.490 1 24 [+**********-************] 1
273 1 16 ARG H 1 16 ARG HA 2.643 2.643 2.643 2.364 2.258 2.861 0.385 16 0 "[ . 1 . 2 ]" 1
274 1 16 ARG H 1 16 ARG QB 3.007 3.007 3.007 3.147 2.320 3.375 0.687 10 4 "[ * * +- . 2 ]" 1
275 1 16 ARG H 1 16 ARG QG 3.092 3.092 3.092 2.739 2.413 3.145 0.679 5 3 "[ * + - . 2 ]" 1
276 1 16 ARG H 1 17 ARG H 3.155 3.155 3.155 3.117 2.661 4.186 1.031 10 4 "[ * - +* . 2 ]" 1
277 1 16 ARG HA 1 16 ARG QD 2.315 2.315 2.315 3.690 1.995 4.220 1.905 8 20 "[** *** +**-***.*** *****]" 1
278 1 16 ARG HA 1 16 ARG QG 2.861 2.861 2.861 2.510 2.309 3.494 0.633 11 7 "[* .* *+ * .* 2 -]" 1
279 1 16 ARG HA 1 17 ARG H 2.723 2.723 2.723 2.535 2.165 2.852 0.558 11 2 "[ . -+ . 2 ]" 1
280 1 16 ARG QB 1 16 ARG QD 2.356 2.356 2.356 2.295 2.108 2.702 0.346 11 0 "[ . 1 . 2 ]" 1
281 1 16 ARG QB 1 16 ARG QG 2.164 2.164 2.164 2.070 2.004 2.088 0.160 19 0 "[ . 1 . 2 ]" 1
282 1 16 ARG QB 1 17 ARG H 3.372 3.372 3.372 3.847 3.675 3.903 0.531 17 10 "[* *. 1 * * +**- ** ]" 1
283 1 16 ARG QG 1 17 ARG H 3.690 3.690 3.690 4.500 4.230 4.739 1.049 19 24 [*********-********+*****] 1
284 1 17 ARG H 1 17 ARG HA 2.744 2.744 2.744 2.919 2.873 2.943 0.199 2 0 "[ . 1 . 2 ]" 1
285 1 17 ARG H 1 17 ARG QB 2.905 2.905 2.905 2.405 2.226 3.007 0.679 24 14 "[* *** * *1 *.* -****+]" 1
286 1 17 ARG H 1 17 ARG QG 2.821 2.821 2.821 3.565 2.278 4.146 1.325 11 16 "[* *** ***1+- *.*** 2** *]" 1
287 1 17 ARG HA 1 17 ARG QD 3.139 3.139 3.139 2.992 2.047 4.521 1.382 12 23 "[** ********+****-*******]" 1
288 1 17 ARG HA 1 17 ARG QG 2.948 2.948 2.948 2.719 2.275 3.360 0.673 15 9 "[ * * * * * + *-*2 ]" 1
289 1 17 ARG HA 1 18 LYS H 2.372 2.372 2.372 2.144 2.101 2.249 0.271 19 0 "[ . 1 . 2 ]" 1
290 1 17 ARG QB 1 17 ARG QD 3.030 3.030 3.030 2.374 2.123 2.852 0.907 19 19 "[-**** * ****** **+2****]" 1
291 1 17 ARG QB 1 18 LYS H 3.260 3.260 3.260 3.587 2.758 3.927 0.667 3 12 "[* +*. * *1*- *.* * 2 * *]" 1
292 1 17 ARG QG 1 18 LYS H 2.872 2.872 2.872 3.534 2.719 4.731 1.859 6 12 "[ **-.+ ** ** * ** * ]" 1
293 1 18 LYS H 1 18 LYS QB 2.553 2.553 2.553 2.367 2.220 2.518 0.333 9 0 "[ . 1 . 2 ]" 1
294 1 18 LYS H 1 18 LYS QD 2.659 2.659 2.659 2.248 1.700 3.619 0.960 1 22 "[+* -**** ***************]" 1
295 1 18 LYS H 1 18 LYS QG 2.973 2.973 2.973 3.126 2.036 3.553 0.937 8 6 "[* - . +** . *2 ]" 1
296 1 18 LYS H 1 19 ALA H 3.867 3.867 3.867 4.581 4.472 4.623 0.756 18 24 [*****************+**-***] 1
297 1 18 LYS HA 1 18 LYS QB 2.480 2.480 2.480 2.417 2.347 2.482 0.133 19 0 "[ . 1 . 2 ]" 1
298 1 18 LYS HA 1 18 LYS QD 2.759 2.759 2.759 2.864 2.094 3.160 0.665 10 1 "[ . + . 2 ]" 1
299 1 18 LYS HA 1 18 LYS QG 2.578 2.578 2.578 2.460 2.292 2.923 0.345 19 0 "[ . 1 . 2 ]" 1
300 1 18 LYS HA 1 19 ALA H 2.358 2.358 2.358 2.196 2.116 2.337 0.242 21 0 "[ . 1 . 2 ]" 1
301 1 18 LYS QB 1 18 LYS QD 1.882 . 1.882 2.306 2.185 2.693 0.811 3 4 "[ + . *1 * . - ]" 1
302 1 18 LYS QB 1 19 ALA H 2.799 2.799 2.799 2.919 2.498 3.324 0.525 21 1 "[ . 1 . 2+ ]" 1
303 1 18 LYS QD 1 18 LYS QG 2.007 2.007 2.007 2.075 2.013 2.091 0.084 17 0 "[ . 1 . 2 ]" 1
304 1 18 LYS QG 1 19 ALA H 3.308 3.308 3.308 3.944 3.489 4.584 1.276 19 16 "[** **** * * .** +-****]" 1
305 1 19 ALA H 1 19 ALA HA 2.740 2.740 2.740 2.906 2.848 2.946 0.206 18 0 "[ . 1 . 2 ]" 1
306 1 19 ALA H 1 19 ALA MB 2.520 2.520 2.520 2.306 2.234 2.486 0.286 2 0 "[ . 1 . 2 ]" 1
307 1 19 ALA H 1 20 ASN H 3.214 3.214 3.214 4.366 4.140 4.600 1.386 2 24 [*+***********-**********] 1
308 1 19 ALA H 1 29 VAL QG 3.210 3.210 3.210 4.107 3.728 4.383 1.173 18 24 [********-********+******] 1
309 1 19 ALA HA 1 19 ALA MB 2.423 2.423 2.423 2.124 2.120 2.128 0.303 6 0 "[ . 1 . 2 ]" 1
310 1 19 ALA HA 1 20 ASN H 2.573 2.573 2.573 2.177 2.134 2.256 0.439 11 0 "[ . 1 . 2 ]" 1
311 1 19 ALA HA 1 21 ALA H 3.079 3.079 3.079 3.424 3.174 4.022 0.943 2 6 "[ + *. * 1 - . 2 * *]" 1
312 1 19 ALA HA 1 29 VAL QG 3.128 3.128 3.128 4.478 4.277 4.692 1.564 12 24 [***********+*********-**] 1
313 1 19 ALA HA 1 31 CYS H 3.739 3.739 3.739 4.074 3.756 4.444 0.705 9 5 "[ . +1* -*. * 2 ]" 1
314 1 19 ALA HA 1 31 CYS HA 2.339 2.339 2.339 2.514 2.137 3.127 0.788 9 3 "[- * +1 . 2 ]" 1
315 1 19 ALA MB 1 20 ASN H 2.908 2.908 2.908 3.203 2.692 3.510 0.602 21 7 "[* * * - . *2+ * ]" 1
316 1 19 ALA MB 1 21 ALA H 2.694 2.694 2.694 2.889 2.528 3.223 0.529 2 2 "[ + . 1 . - 2 ]" 1
317 1 19 ALA MB 1 29 VAL HA 3.257 3.257 3.257 3.527 3.411 3.648 0.391 18 0 "[ . 1 . 2 ]" 1
318 1 19 ALA MB 1 29 VAL HB 2.413 2.413 2.413 1.913 1.833 2.106 0.580 6 15 "[* ***+ ** * *-* ** **]" 1
319 1 19 ALA MB 1 29 VAL QG 2.196 2.196 2.196 2.287 2.169 2.426 0.230 12 0 "[ . 1 . 2 ]" 1
320 1 19 ALA MB 1 30 ILE H 3.030 3.030 3.030 2.474 2.304 2.637 0.726 15 17 "[****** ** * + ** *-***]" 1
321 1 19 ALA MB 1 30 ILE HA 2.643 2.643 2.643 3.299 3.046 3.511 0.868 22 22 "[******** **** ***-***+**]" 1
322 1 19 ALA MB 1 31 CYS H 3.297 3.297 3.297 3.993 3.548 4.346 1.049 11 20 "[**********+ - .** ******]" 1
323 1 19 ALA MB 1 31 CYS HA 2.816 2.816 2.816 3.651 3.208 3.958 1.142 1 22 "[+********** * ***-******]" 1
324 1 19 ALA MB 1 31 CYS QB 3.381 3.381 3.381 3.966 3.571 4.217 0.836 22 18 "[****** **** .** *-*+**]" 1
325 1 20 ASN H 1 20 ASN HA 2.466 2.466 2.466 2.922 2.877 2.951 0.485 8 0 "[ . 1 . 2 ]" 1
326 1 20 ASN H 1 20 ASN QB 3.681 3.681 3.681 2.461 2.319 2.781 1.362 18 24 [*************-***+******] 1
327 1 20 ASN H 1 21 ALA H 2.548 2.548 2.548 2.307 1.936 2.654 0.612 4 5 "[ +. * 1 .* 2 * -]" 1
328 1 20 ASN H 1 21 ALA MB 3.487 3.487 3.487 3.957 3.710 4.200 0.713 5 12 "[*** +- * . **2****]" 1
329 1 20 ASN H 1 31 CYS H 3.741 3.741 3.741 4.977 4.306 5.654 1.913 14 24 [*************+*********-] 1
330 1 20 ASN H 1 31 CYS HA 2.935 2.935 2.935 2.474 1.933 3.112 1.002 24 12 "[ * *-* * 1** ** 2 **+]" 1
331 1 20 ASN HA 1 20 ASN QB 2.477 2.477 2.477 2.378 2.184 2.446 0.293 14 0 "[ . 1 . 2 ]" 1
332 1 20 ASN HA 1 20 ASN QD 3.204 3.204 3.204 3.554 2.496 4.308 1.104 14 15 "[*** ** 1** +**** 2* -*]" 1
333 1 20 ASN HA 1 21 ALA H 2.818 2.818 2.818 3.237 2.935 3.509 0.691 2 8 "[*+ *. 1 .* * 2-* *]" 1
334 1 20 ASN QB 1 20 ASN QD 2.866 2.866 2.866 2.228 2.104 2.675 0.762 24 21 "[***** ********* **-*** +]" 1
335 1 20 ASN QB 1 21 ALA H 3.684 3.684 3.684 3.368 2.708 3.906 0.976 2 7 "[*+ -. 1 .* * 2 * *]" 1
336 1 20 ASN QB 1 32 ARG H 3.360 3.360 3.360 3.562 2.669 5.768 2.408 14 5 "[ . 1 *+. - * * ]" 1
337 1 20 ASN QD 1 32 ARG H 3.823 3.823 3.823 4.265 3.684 5.556 1.733 18 7 "[ ** . *1 * *. -+ 2 ]" 1
338 1 20 ASN QD 1 32 ARG QB 3.935 3.935 3.935 4.497 2.498 5.360 1.437 24 15 "[ * *.* ** -* .* ******+]" 1
339 1 20 ASN QD 1 32 ARG QG 3.444 3.444 3.444 3.654 2.539 5.011 1.567 9 10 "[* * * +1-* *. *2* * ]" 1
340 1 21 ALA H 1 21 ALA HA 2.785 2.785 2.785 2.917 2.877 2.945 0.160 18 0 "[ . 1 . 2 ]" 1
341 1 21 ALA H 1 21 ALA MB 2.577 2.577 2.577 2.600 2.432 2.748 0.171 5 0 "[ . 1 . 2 ]" 1
342 1 21 ALA H 1 22 SER H 2.972 2.972 2.972 4.396 4.325 4.486 1.514 18 24 [***********-*****+******] 1
343 1 21 ALA H 1 30 ILE H 3.358 3.358 3.358 3.385 2.981 3.652 0.377 8 0 "[ . 1 . 2 ]" 1
344 1 21 ALA H 1 30 ILE QG 3.654 3.654 3.654 3.777 3.165 4.106 0.489 2 0 "[ . 1 . 2 ]" 1
345 1 21 ALA H 1 31 CYS HA 3.351 3.351 3.351 3.617 3.355 3.997 0.646 13 2 "[ . - + . 2 ]" 1
346 1 21 ALA HA 1 21 ALA MB 2.172 2.172 2.172 2.131 2.127 2.135 0.045 21 0 "[ . 1 . 2 ]" 1
347 1 21 ALA HA 1 22 SER H 2.366 2.366 2.366 2.430 2.319 2.599 0.233 8 0 "[ . 1 . 2 ]" 1
348 1 21 ALA MB 1 22 SER H 2.443 2.443 2.443 2.357 2.086 2.582 0.357 8 0 "[ . 1 . 2 ]" 1
349 1 21 ALA MB 1 22 SER HA 3.354 3.354 3.354 3.917 3.854 3.993 0.639 24 23 "[********************-* +]" 1
350 1 21 ALA MB 1 30 ILE H 3.704 3.704 3.704 3.580 3.217 3.982 0.487 13 0 "[ . 1 . 2 ]" 1
351 1 21 ALA MB 1 30 ILE MD 2.878 2.878 2.878 3.041 2.840 3.304 0.426 9 0 "[ . 1 . 2 ]" 1
352 1 21 ALA MB 1 30 ILE QG 3.068 3.068 3.068 2.179 1.944 2.583 1.124 13 23 "[************+******** *-]" 1
353 1 21 ALA MB 1 37 ASP H 3.528 3.528 3.528 3.772 2.431 4.790 1.262 19 15 "[* * * **1**-** * +2*** ]" 1
354 1 21 ALA MB 1 37 ASP HA 3.359 3.359 3.359 2.803 2.029 4.234 1.330 11 16 "[* *** ***-+***. * *2* *]" 1
355 1 21 ALA MB 1 37 ASP QB 2.988 2.988 2.988 4.139 2.960 5.736 2.748 12 21 "[********-* +**.*** *****]" 1
356 1 21 ALA MB 1 38 MET H 3.028 3.028 3.028 4.854 4.237 5.496 2.468 10 24 [*********+*******-******] 1
357 1 22 SER H 1 22 SER HA 2.988 2.988 2.988 2.908 2.878 2.939 0.110 11 0 "[ . 1 . 2 ]" 1
358 1 22 SER H 1 22 SER QB 2.387 2.387 2.387 2.943 2.668 3.276 0.889 11 10 "[ * .** *-+** . 2* * ]" 1
359 1 22 SER H 1 23 CYS H 3.723 3.723 3.723 4.254 4.140 4.371 0.648 20 14 "[ * .* **1 ***-* +****]" 1
360 1 22 SER H 1 29 VAL HA 3.470 3.470 3.470 4.675 4.515 4.805 1.335 2 24 [*+*****-****************] 1
361 1 22 SER H 1 30 ILE H 3.778 3.778 3.778 4.413 4.185 4.743 0.965 2 21 "[*+**** ***-***.******* *]" 1
362 1 22 SER H 1 30 ILE QG 3.294 3.294 3.294 3.702 3.311 4.199 0.905 24 5 "[ * . 1 .* - 2 * +]" 1
363 1 22 SER HA 1 22 SER QB 2.406 2.406 2.406 2.283 2.177 2.392 0.229 13 0 "[ . 1 . 2 ]" 1
364 1 22 SER HA 1 23 CYS H 2.639 2.639 2.639 2.186 2.125 2.306 0.514 13 2 "[ - . 1 + . 2 ]" 1
365 1 22 SER HA 1 29 VAL H 3.545 3.545 3.545 4.649 4.519 4.804 1.259 20 24 [*******-***********+****] 1
366 1 22 SER HA 1 29 VAL HA 1.852 . 1.852 1.942 1.860 2.037 0.185 2 0 "[ . 1 . 2 ]" 1
367 1 22 SER HA 1 29 VAL HB 3.326 3.326 3.326 3.924 3.786 4.052 0.726 8 21 "[*******+******** **2*-* ]" 1
368 1 22 SER HA 1 29 VAL QG 2.782 2.782 2.782 3.141 2.724 3.363 0.581 23 6 "[ .* ** * 2- + ]" 1
369 1 22 SER HA 1 30 ILE H 3.079 3.079 3.079 2.685 2.469 3.018 0.610 15 7 "[* - .* 1 + ** * ]" 1
370 1 22 SER HA 1 30 ILE MD 3.318 3.318 3.318 3.870 3.395 4.146 0.828 24 19 "[***** * 1****.**-*****+]" 1
371 1 22 SER HA 1 30 ILE QG 3.829 3.829 3.829 2.659 2.092 3.122 1.737 15 24 [**************+********-] 1
372 1 22 SER HA 1 30 ILE MG 3.366 3.366 3.366 4.084 3.721 4.548 1.182 24 21 "[***** ***-***.********+]" 1
373 1 22 SER QB 1 23 CYS H 2.990 2.990 2.990 3.123 2.651 3.730 0.740 5 4 "[ + * 1 - *2 ]" 1
374 1 22 SER QB 1 29 VAL H 3.743 3.743 3.743 4.831 4.376 5.190 1.447 19 24 [**********-*******+*****] 1
375 1 22 SER QB 1 29 VAL HA 2.944 2.944 2.944 2.961 2.523 3.458 0.514 24 1 "[ . 1 . 2 +]" 1
376 1 22 SER QB 1 29 VAL HB 3.636 3.636 3.636 4.137 3.476 4.792 1.156 14 11 "[** *. - +.*** * * *]" 1
377 1 22 SER QB 1 29 VAL QG 2.562 2.562 2.562 2.367 2.052 2.893 0.510 8 1 "[ . + 1 . 2 ]" 1
378 1 22 SER QB 1 30 ILE H 3.757 3.757 3.757 4.210 3.663 4.888 1.131 24 11 "[** *. - *.*** * * +]" 1
379 1 23 CYS H 1 23 CYS HA 2.982 2.982 2.982 2.881 2.837 2.938 0.145 19 0 "[ . 1 . 2 ]" 1
380 1 23 CYS H 1 23 CYS QB 2.831 2.831 2.831 2.272 2.229 2.373 0.602 13 23 [************+*-****2****] 1
381 1 23 CYS H 1 28 LYS H 3.385 3.385 3.385 3.663 3.442 3.887 0.502 9 1 "[ . +1 . 2 ]" 1
382 1 23 CYS H 1 28 LYS QB 3.974 3.974 3.974 3.976 3.537 4.165 0.437 8 0 "[ . 1 . 2 ]" 1
383 1 23 CYS H 1 29 VAL HA 3.382 3.382 3.382 3.106 2.907 3.353 0.475 17 0 "[ . 1 . 2 ]" 1
384 1 23 CYS H 1 29 VAL QG 3.430 3.430 3.430 4.197 3.908 4.421 0.991 23 23 [*******************2**+-] 1
385 1 23 CYS H 1 30 ILE H 3.313 3.313 3.313 4.183 3.878 4.526 1.213 8 24 [**-****+****************] 1
386 1 23 CYS H 1 30 ILE MD 3.479 3.479 3.479 3.496 3.185 3.806 0.327 20 0 "[ . 1 . 2 ]" 1
387 1 23 CYS H 1 30 ILE QG 3.545 3.545 3.545 3.138 2.587 3.559 0.958 3 9 "[* + * *1- * * *2 * ]" 1
388 1 23 CYS H 1 30 ILE MG 3.295 3.295 3.295 3.754 3.456 4.125 0.830 2 10 "[ + *. **- * .* * * *]" 1
389 1 23 CYS H 1 39 CYS QB 2.858 2.858 2.858 4.220 3.765 4.614 1.756 18 24 [*********-*******+******] 1
390 1 23 CYS HA 1 24 LYS H 2.560 2.560 2.560 2.151 2.094 2.220 0.466 19 0 "[ . 1 . 2 ]" 1
391 1 23 CYS HA 1 24 LYS QB 3.288 3.288 3.288 4.270 3.975 4.536 1.248 22 24 [*****************-***+**] 1
392 1 23 CYS HA 1 28 LYS H 4.071 4.071 4.071 5.251 4.908 5.467 1.396 21 24 [***********-********+***] 1
393 1 23 CYS HA 1 30 ILE MD 3.041 3.041 3.041 3.534 3.227 3.980 0.939 11 12 "[-* *.** *+** .* * * ]" 1
394 1 23 CYS HA 1 38 MET HA 2.692 2.692 2.692 2.596 2.145 3.302 0.610 12 3 "[ .* 1 + . -2 ]" 1
395 1 23 CYS HA 1 39 CYS H 3.438 3.438 3.438 3.694 3.241 4.222 0.784 11 3 "[ . - *+ . 2 ]" 1
396 1 23 CYS QB 1 24 LYS H 3.427 3.427 3.427 3.880 3.722 3.998 0.571 12 7 "[ -*.* *1*+ . * ]" 1
397 1 23 CYS QB 1 26 CYS H 3.356 3.356 3.356 3.303 2.763 3.541 0.593 8 2 "[ . + - . 2 ]" 1
398 1 23 CYS QB 1 26 CYS QB 3.762 3.762 3.762 4.054 2.052 4.502 1.710 7 23 "[******+********** -*****]" 1
399 1 23 CYS QB 1 27 LYS H 2.948 2.948 2.948 3.561 3.094 3.990 1.042 11 18 "[******* *1+***-** * ** ]" 1
400 1 23 CYS QB 1 27 LYS HA 3.805 3.805 3.805 4.501 4.026 4.962 1.157 11 20 "[**********+**-*** * ** ]" 1
401 1 23 CYS QB 1 28 LYS H 2.971 2.971 2.971 2.731 2.489 3.063 0.482 6 0 "[ . 1 . 2 ]" 1
402 1 23 CYS QB 1 28 LYS QB 3.830 3.830 3.830 2.949 2.742 3.128 1.088 8 24 [******-+****************] 1
403 1 23 CYS QB 1 30 ILE MD 2.893 2.893 2.893 2.621 2.338 3.008 0.555 9 1 "[ . +1 . 2 ]" 1
404 1 23 CYS QB 1 30 ILE MG 2.678 2.678 2.678 3.331 3.008 3.748 1.070 10 17 "[ * *.****+****** *-* *]" 1
405 1 23 CYS QB 1 38 MET HA 3.076 3.076 3.076 3.053 2.663 3.654 0.578 7 1 "[ . + 1 . 2 ]" 1
406 1 23 CYS QB 1 39 CYS H 3.123 3.123 3.123 2.456 1.969 3.103 1.154 15 18 "[****** **1 -**+** *** *]" 1
407 1 23 CYS QB 1 39 CYS HA 3.308 3.308 3.308 3.837 3.416 4.201 0.893 7 14 "[* * + *-* * . ***2****]" 1
408 1 24 LYS H 1 24 LYS HA 2.850 2.850 2.850 2.816 2.758 2.864 0.092 11 0 "[ . 1 . 2 ]" 1
409 1 24 LYS H 1 24 LYS QB 2.708 2.708 2.708 2.342 2.130 2.593 0.578 9 4 "[ . *+1 . * 2 -]" 1
410 1 24 LYS H 1 24 LYS QD 2.843 2.843 2.843 3.361 1.807 4.240 1.397 24 20 "[ *************-* * ** *+]" 1
411 1 24 LYS H 1 24 LYS QG 3.077 3.077 3.077 3.036 1.891 4.053 1.186 19 19 "[* *** **** ** * **+*-***]" 1
412 1 24 LYS H 1 27 LYS H 3.648 3.648 3.648 4.707 4.551 4.984 1.336 21 24 [***********-********+***] 1
413 1 24 LYS H 1 38 MET HA 3.075 3.075 3.075 3.896 3.163 4.991 1.916 12 19 "[****.******+* .*** **-* ]" 1
414 1 24 LYS H 1 39 CYS H 3.643 3.643 3.643 5.205 4.656 6.017 2.374 11 24 [**********+*******-*****] 1
415 1 24 LYS HA 1 24 LYS QB 2.398 2.398 2.398 2.375 2.175 2.483 0.223 20 0 "[ . 1 . 2 ]" 1
416 1 24 LYS HA 1 24 LYS QD 2.400 2.400 2.400 2.745 1.946 4.456 2.056 20 8 "[ * . * *-.** + * ]" 1
417 1 24 LYS HA 1 24 LYS QG 2.332 2.332 2.332 2.726 2.368 3.352 1.020 20 12 "[* ** * 1 * * -*+** *]" 1
418 1 24 LYS HA 1 27 LYS H 3.660 3.660 3.660 3.562 3.068 4.173 0.592 12 3 "[ . 1 + . -*2 ]" 1
419 1 24 LYS HA 1 27 LYS QG 3.074 3.074 3.074 4.172 3.500 5.088 2.014 8 23 "[*-*****+*** ************]" 1
420 1 24 LYS QB 1 24 LYS QD 2.306 2.306 2.306 2.303 2.094 2.719 0.413 11 0 "[ . 1 . 2 ]" 1
421 1 24 LYS QD 1 24 LYS QG 2.284 2.284 2.284 2.078 2.005 2.093 0.279 23 0 "[ . 1 . 2 ]" 1
422 1 24 LYS QE 1 24 LYS QG 2.511 2.511 2.511 2.283 2.122 2.740 0.389 24 0 "[ . 1 . 2 ]" 1
423 1 26 CYS H 1 26 CYS QB 2.968 2.968 2.968 2.892 2.516 3.181 0.452 15 0 "[ . 1 . 2 ]" 1
424 1 26 CYS H 1 27 LYS H 2.687 2.687 2.687 1.975 1.633 2.336 1.054 14 20 "[*********1***+.*- *****]" 1
425 1 26 CYS H 1 28 LYS H 3.055 3.055 3.055 3.545 3.397 3.903 0.848 10 9 "[* . - + * ** **2* ]" 1
426 1 26 CYS H 1 42 CYS QB 3.352 3.352 3.352 4.865 4.232 5.678 2.326 8 24 [*******+**********-*****] 1
427 1 26 CYS HA 1 26 CYS QB 2.446 2.446 2.446 2.204 2.175 2.407 0.271 17 0 "[ . 1 . 2 ]" 1
428 1 26 CYS HA 1 27 LYS H 3.938 3.938 3.938 3.331 3.252 3.428 0.686 12 24 [******-****+************] 1
429 1 26 CYS QB 1 27 LYS H 3.500 3.500 3.500 3.702 3.016 3.879 0.484 7 0 "[ . 1 . 2 ]" 1
430 1 27 LYS H 1 27 LYS HA 2.436 2.436 2.436 2.252 2.241 2.268 0.195 14 0 "[ . 1 . 2 ]" 1
431 1 27 LYS H 1 27 LYS QB 3.202 3.202 3.202 3.353 3.288 3.408 0.206 9 0 "[ . 1 . 2 ]" 1
432 1 27 LYS H 1 27 LYS QD 3.374 3.374 3.374 3.628 2.317 4.867 1.493 12 9 "[ ** * * 1 + **- *2 ]" 1
433 1 27 LYS H 1 27 LYS QG 3.250 3.250 3.250 2.994 2.817 3.697 0.447 3 0 "[ . 1 . 2 ]" 1
434 1 27 LYS H 1 28 LYS H 3.015 3.015 3.015 2.612 2.528 2.735 0.487 7 0 "[ . 1 . 2 ]" 1
435 1 27 LYS HA 1 27 LYS QB 2.500 2.500 2.500 2.393 2.363 2.456 0.137 9 0 "[ . 1 . 2 ]" 1
436 1 27 LYS HA 1 27 LYS QD 2.481 2.481 2.481 2.673 1.960 4.194 1.713 19 11 "[ * * * 1 * *** +*- * ]" 1
437 1 27 LYS HA 1 27 LYS QG 2.837 2.837 2.837 2.680 2.321 2.969 0.516 17 2 "[ . 1 .-+ 2 ]" 1
438 1 27 LYS HA 1 28 LYS H 3.161 3.161 3.161 3.008 2.836 3.245 0.325 3 0 "[ . 1 . 2 ]" 1
439 1 27 LYS QB 1 27 LYS QD 2.572 2.572 2.572 2.423 2.117 2.809 0.455 16 0 "[ . 1 . 2 ]" 1
440 1 27 LYS QB 1 28 LYS H 3.699 3.699 3.699 3.719 3.454 3.840 0.245 8 0 "[ . 1 . 2 ]" 1
441 1 27 LYS QD 1 27 LYS QE 2.040 2.040 2.040 2.039 1.995 2.091 0.051 19 0 "[ . 1 . 2 ]" 1
442 1 27 LYS QD 1 27 LYS QG 1.963 . 1.963 2.053 2.001 2.094 0.131 23 0 "[ . 1 . 2 ]" 1
443 1 27 LYS QE 1 27 LYS QG 2.728 2.728 2.728 2.404 2.134 2.789 0.594 3 6 "[ -+ * 1* . 2 **]" 1
444 1 28 LYS H 1 28 LYS HA 2.852 2.852 2.852 2.916 2.866 2.947 0.095 12 0 "[ . 1 . 2 ]" 1
445 1 28 LYS H 1 28 LYS QB 2.655 2.655 2.655 2.427 2.230 2.581 0.425 1 0 "[ . 1 . 2 ]" 1
446 1 28 LYS H 1 28 LYS QG 3.055 3.055 3.055 2.714 2.426 3.703 0.648 1 7 "[+ . **1 *.* * -]" 1
447 1 28 LYS H 1 29 VAL H 3.191 3.191 3.191 4.509 4.436 4.611 1.420 19 24 [**-***************+*****] 1
448 1 28 LYS HA 1 28 LYS QB 2.299 2.299 2.299 2.395 2.348 2.486 0.187 1 0 "[ . 1 . 2 ]" 1
449 1 28 LYS HA 1 28 LYS QD 2.985 2.985 2.985 3.297 1.989 4.033 1.048 8 23 "[ -*****+****************]" 1
450 1 28 LYS HA 1 28 LYS QG 2.854 2.854 2.854 2.585 2.340 3.035 0.514 11 1 "[ . 1+ . 2 ]" 1
451 1 28 LYS HA 1 29 VAL H 2.394 2.394 2.394 2.201 2.110 2.319 0.284 11 0 "[ . 1 . 2 ]" 1
452 1 28 LYS HA 1 29 VAL QG 2.762 2.762 2.762 3.234 3.123 3.353 0.591 8 6 "[ * + 1 -* 2* * ]" 1
453 1 28 LYS QB 1 28 LYS QD 1.830 . 1.830 2.208 2.103 2.376 0.546 13 6 "[** . 1 *+ .* 2 -]" 1
454 1 28 LYS QB 1 29 VAL H 2.865 2.865 2.865 2.961 2.682 3.195 0.330 11 0 "[ . 1 . 2 ]" 1
455 1 28 LYS QB 1 39 CYS QB 3.625 3.625 3.625 3.486 2.704 4.384 0.921 8 4 "[ .-*+ * . 2 ]" 1
456 1 28 LYS QD 1 28 LYS QG 2.192 2.192 2.192 2.086 1.998 2.093 0.194 16 0 "[ . 1 . 2 ]" 1
457 1 28 LYS QE 1 28 LYS QG 2.657 2.657 2.657 2.274 2.130 2.386 0.527 14 8 "[* . ** +. **2* - ]" 1
458 1 28 LYS QG 1 29 VAL H 3.323 3.323 3.323 4.141 3.635 4.580 1.257 13 23 "[ ***********+*****-*****]" 1
459 1 29 VAL H 1 29 VAL HB 2.883 2.883 2.883 3.659 3.630 3.713 0.830 2 24 [-+**********************] 1
460 1 29 VAL H 1 29 VAL QG 2.220 2.220 2.220 1.874 1.820 1.933 0.400 15 0 "[ . 1 . 2 ]" 1
461 1 29 VAL H 1 30 ILE H 3.560 3.560 3.560 4.567 4.529 4.606 1.046 6 24 [*****+************-*****] 1
462 1 29 VAL HA 1 29 VAL HB 2.689 2.689 2.689 2.474 2.448 2.509 0.241 5 0 "[ . 1 . 2 ]" 1
463 1 29 VAL HA 1 29 VAL QG 2.352 2.352 2.352 2.259 2.191 2.290 0.161 16 0 "[ . 1 . 2 ]" 1
464 1 29 VAL HA 1 30 ILE H 2.654 2.654 2.654 2.245 2.208 2.282 0.446 19 0 "[ . 1 . 2 ]" 1
465 1 29 VAL HB 1 29 VAL QG 2.055 2.055 2.055 1.895 1.893 1.897 0.162 16 0 "[ . 1 . 2 ]" 1
466 1 29 VAL HB 1 30 ILE H 3.140 3.140 3.140 2.786 2.670 2.939 0.470 24 0 "[ . 1 . 2 ]" 1
467 1 29 VAL QG 1 30 ILE H 2.927 2.927 2.927 3.329 3.271 3.403 0.476 1 0 "[ . 1 . 2 ]" 1
468 1 29 VAL QG 1 30 ILE HA 3.363 3.363 3.363 3.849 3.732 3.971 0.608 15 9 "[ -**. * 1 +** ** ]" 1
469 1 30 ILE H 1 30 ILE MD 3.412 3.412 3.412 3.887 3.786 3.976 0.564 11 9 "[* * ** *1+ . - 2* * ]" 1
470 1 30 ILE H 1 30 ILE QG 2.950 2.950 2.950 2.176 2.050 2.283 0.900 8 24 [*******+**-*************] 1
471 1 30 ILE H 1 30 ILE MG 3.017 3.017 3.017 3.239 3.123 3.363 0.346 9 0 "[ . 1 . 2 ]" 1
472 1 30 ILE H 1 31 CYS H 3.783 3.783 3.783 4.394 4.361 4.422 0.639 6 24 [*****+********-*********] 1
473 1 30 ILE HA 1 30 ILE HB 2.612 2.612 2.612 2.541 2.497 2.574 0.115 7 0 "[ . 1 . 2 ]" 1
474 1 30 ILE HA 1 30 ILE MD 3.216 3.216 3.216 4.178 4.151 4.194 0.978 19 24 [*******-**********+*****] 1
475 1 30 ILE HA 1 30 ILE QG 3.391 3.391 3.391 3.295 3.277 3.315 0.114 9 0 "[ . 1 . 2 ]" 1
476 1 30 ILE HA 1 30 ILE MG 2.465 2.465 2.465 2.259 2.230 2.304 0.235 2 0 "[ . 1 . 2 ]" 1
477 1 30 ILE HA 1 31 CYS H 2.530 2.530 2.530 2.297 2.223 2.420 0.307 18 0 "[ . 1 . 2 ]" 1
478 1 30 ILE HA 1 34 HIS QB 3.558 3.558 3.558 4.056 3.564 4.532 0.974 9 12 "[* * * * +1* * * - *2* * ]" 1
479 1 30 ILE HB 1 30 ILE MD 2.752 2.752 2.752 2.492 2.431 2.577 0.321 23 0 "[ . 1 . 2 ]" 1
480 1 30 ILE HB 1 31 CYS H 2.951 2.951 2.951 2.646 2.300 2.893 0.651 11 2 "[ . 1+ . 2 - ]" 1
481 1 30 ILE HB 1 34 HIS QB 3.210 3.210 3.210 3.023 2.456 3.492 0.754 16 5 "[ .* 1 * -.+ 2 *]" 1
482 1 30 ILE MD 1 30 ILE MG 2.329 2.329 2.329 1.926 1.864 1.956 0.465 9 0 "[ . 1 . 2 ]" 1
483 1 30 ILE MD 1 31 CYS H 3.879 3.879 3.879 4.663 4.242 4.888 1.009 24 22 "[****-***** *********** +]" 1
484 1 30 ILE MD 1 35 ASN H 3.309 3.309 3.309 3.958 3.416 4.419 1.110 4 14 "[ * +.* * * * *-*** * * *]" 1
485 1 30 ILE MD 1 35 ASN QB 3.060 3.060 3.060 2.298 1.814 3.342 1.246 15 17 "[***** ***-* * + ***2* * ]" 1
486 1 30 ILE MD 1 37 ASP HA 2.476 2.476 2.476 3.076 2.272 4.221 1.745 12 12 "[ * *. ** * + *.* * - * *]" 1
487 1 30 ILE MD 1 37 ASP QB 2.957 2.957 2.957 4.522 3.947 5.494 2.537 12 24 [********-**+************] 1
488 1 30 ILE MD 1 38 MET H 2.975 2.975 2.975 2.895 2.253 3.914 0.939 4 10 "[ *+.* *** * . * 2* -]" 1
489 1 30 ILE MD 1 38 MET HA 3.427 3.427 3.427 3.391 3.067 3.746 0.360 18 0 "[ . 1 . 2 ]" 1
490 1 30 ILE MD 1 39 CYS H 3.742 3.742 3.742 3.495 3.141 3.935 0.601 5 4 "[* - + 1 . 2* ]" 1
491 1 30 ILE MD 1 39 CYS HA 3.068 3.068 3.068 2.850 2.571 3.247 0.497 16 0 "[ . 1 . 2 ]" 1
492 1 30 ILE MD 1 39 CYS QB 2.929 2.929 2.929 2.789 2.532 3.273 0.397 5 0 "[ . 1 . 2 ]" 1
493 1 30 ILE MD 1 40 GLN H 3.615 3.615 3.615 4.671 4.177 5.157 1.542 23 24 [*********-************+*] 1
494 1 30 ILE QG 1 30 ILE MG 2.551 2.551 2.551 2.384 2.322 2.462 0.229 5 0 "[ . 1 . 2 ]" 1
495 1 30 ILE QG 1 31 CYS H 3.747 3.747 3.747 3.932 3.647 4.126 0.379 15 0 "[ . 1 . 2 ]" 1
496 1 30 ILE QG 1 37 ASP HA 3.824 3.824 3.824 4.105 2.990 5.507 1.683 12 10 "[ * . **-*+ *.* * 2 * ]" 1
497 1 30 ILE MG 1 31 CYS H 3.163 3.163 3.163 3.521 3.393 3.629 0.466 12 0 "[ . 1 . 2 ]" 1
498 1 30 ILE MG 1 34 HIS QB 2.701 2.701 2.701 3.376 2.746 3.848 1.147 1 12 "[+ * * * *1* * * - *2* * ]" 1
499 1 30 ILE MG 1 39 CYS HA 2.807 2.807 2.807 3.219 2.735 3.986 1.179 7 8 "[ . + *1- * ***2 * ]" 1
500 1 30 ILE MG 1 39 CYS QB 2.630 2.630 2.630 2.608 2.260 3.060 0.430 11 0 "[ . 1 . 2 ]" 1
501 1 31 CYS H 1 31 CYS QB 3.242 3.242 3.242 2.600 2.537 2.671 0.705 18 24 [**********-******+******] 1
502 1 31 CYS H 1 32 ARG H 3.616 3.616 3.616 4.557 4.514 4.612 0.996 12 24 [**********-+************] 1
503 1 31 CYS H 1 34 HIS H 3.081 3.081 3.081 3.854 3.530 4.136 1.055 21 23 "[*-***** ************+***]" 1
504 1 31 CYS H 1 34 HIS QB 3.342 3.342 3.342 2.660 2.278 3.010 1.064 24 18 "[ * *.*** ***-*.***** **+]" 1
505 1 31 CYS H 1 35 ASN H 4.162 4.162 4.162 4.614 3.861 5.543 1.381 14 12 "[ * *.* - * * +.* * * * *]" 1
506 1 31 CYS HA 1 32 ARG H 2.616 2.616 2.616 2.377 2.244 2.569 0.372 1 0 "[ . 1 . 2 ]" 1
507 1 31 CYS HA 1 33 GLU H 4.028 4.028 4.028 4.028 3.699 4.705 0.677 24 1 "[ . 1 . 2 +]" 1
508 1 31 CYS QB 1 32 ARG H 2.687 2.687 2.687 2.600 2.199 3.015 0.488 24 0 "[ . 1 . 2 ]" 1
509 1 31 CYS QB 1 33 GLU H 3.528 3.528 3.528 2.896 2.592 3.384 0.936 23 19 "[*** *****1* -******** + ]" 1
510 1 31 CYS QB 1 34 HIS H 4.099 4.099 4.099 3.830 3.632 4.114 0.467 7 0 "[ . 1 . 2 ]" 1
511 1 32 ARG H 1 32 ARG HA 2.653 2.653 2.653 2.828 2.774 2.871 0.218 21 0 "[ . 1 . 2 ]" 1
512 1 32 ARG H 1 32 ARG QB 2.581 2.581 2.581 2.411 2.240 2.558 0.341 24 0 "[ . 1 . 2 ]" 1
513 1 32 ARG H 1 32 ARG QD 3.421 3.421 3.421 3.804 2.952 4.685 1.264 24 9 "[ *** -1* * 2* *+]" 1
514 1 32 ARG H 1 32 ARG QG 2.631 2.631 2.631 2.373 2.099 3.960 1.329 24 2 "[ . - . 2 +]" 1
515 1 32 ARG H 1 33 GLU H 2.574 2.574 2.574 2.631 2.477 2.828 0.254 24 0 "[ . 1 . 2 ]" 1
516 1 32 ARG H 1 34 HIS H 3.374 3.374 3.374 4.062 3.910 4.166 0.792 18 24 [*****-***********+******] 1
517 1 32 ARG HA 1 32 ARG QB 2.446 2.446 2.446 2.379 2.338 2.423 0.108 10 0 "[ . 1 . 2 ]" 1
518 1 32 ARG HA 1 32 ARG QD 2.428 2.428 2.428 3.137 1.981 4.217 1.789 1 13 "[+ * *** *1* ** * 2- **]" 1
519 1 32 ARG HA 1 32 ARG QG 2.250 2.250 2.250 2.633 2.231 3.066 0.816 10 11 "[ - *. * + ***. * ** * ]" 1
520 1 32 ARG HA 1 33 GLU H 3.065 3.065 3.065 3.371 3.126 3.558 0.493 24 0 "[ . 1 . 2 ]" 1
521 1 32 ARG HA 1 34 HIS H 2.875 2.875 2.875 3.669 3.259 3.928 1.053 10 23 "[-********+********** ***]" 1
522 1 32 ARG HA 1 35 ASN H 3.228 3.228 3.228 3.372 2.771 3.806 0.578 13 1 "[ . 1 + . 2 ]" 1
523 1 32 ARG HA 1 35 ASN QB 3.328 3.328 3.328 3.782 1.870 5.225 1.897 13 18 "[* * *-* ****+** * ***** ]" 1
524 1 32 ARG QB 1 32 ARG QD 2.948 2.948 2.948 2.528 2.116 2.878 0.832 18 14 "[* * *** -1* ** + ** **]" 1
525 1 32 ARG QB 1 32 ARG QG 1.818 . 1.818 2.043 1.978 2.088 0.270 7 0 "[ . 1 . 2 ]" 1
526 1 32 ARG QB 1 33 GLU H 3.017 3.017 3.017 3.097 2.559 3.575 0.558 14 1 "[ . 1 +. 2 ]" 1
527 1 32 ARG QD 1 32 ARG QG 2.341 2.341 2.341 2.006 1.987 2.093 0.354 13 0 "[ . 1 . 2 ]" 1
528 1 32 ARG HE 1 32 ARG QG 3.227 3.227 3.227 2.605 2.271 2.824 0.956 20 18 "[** ** ** **** .*-**+ ***]" 1
529 1 33 GLU H 1 33 GLU HA 2.640 2.640 2.640 2.885 2.817 2.943 0.303 14 0 "[ . 1 . 2 ]" 1
530 1 33 GLU H 1 33 GLU QB 2.441 2.441 2.441 2.387 2.198 2.766 0.325 24 0 "[ . 1 . 2 ]" 1
531 1 33 GLU H 1 33 GLU QG 3.204 3.204 3.204 3.172 2.230 4.055 0.974 23 17 "[*** * ** *** -* * *2**+*]" 1
532 1 33 GLU H 1 34 HIS H 2.675 2.675 2.675 2.332 1.932 2.629 0.743 14 4 "[ . * 1 +.* - ]" 1
533 1 33 GLU H 1 35 ASN H 3.437 3.437 3.437 4.063 3.701 4.487 1.050 13 18 "[******* ** *+ * * *-** *]" 1
534 1 33 GLU HA 1 33 GLU QB 2.279 2.279 2.279 2.368 2.167 2.420 0.141 7 0 "[ . 1 . 2 ]" 1
535 1 33 GLU HA 1 33 GLU QG 2.140 2.140 2.140 2.619 2.296 3.445 1.305 24 8 "[ * * - 1 * * **2 +]" 1
536 1 33 GLU HA 1 34 HIS H 3.146 3.146 3.146 3.389 3.195 3.463 0.317 10 0 "[ . 1 . 2 ]" 1
537 1 33 GLU HA 1 35 ASN H 3.340 3.340 3.340 4.491 3.634 5.346 2.006 15 22 "[*********-* **+******** ]" 1
538 1 33 GLU QB 1 33 GLU QG 2.045 2.045 2.045 2.043 1.979 2.087 0.066 5 0 "[ . 1 . 2 ]" 1
539 1 33 GLU QB 1 34 HIS H 3.008 3.008 3.008 3.105 2.861 3.934 0.926 24 1 "[ . 1 . 2 +]" 1
540 1 34 HIS H 1 34 HIS HA 2.950 2.950 2.950 2.938 2.913 2.954 0.037 11 0 "[ . 1 . 2 ]" 1
541 1 34 HIS H 1 34 HIS QB 2.721 2.721 2.721 2.379 2.201 2.604 0.520 7 3 "[ . + 1* . -2 ]" 1
542 1 34 HIS H 1 34 HIS HD2 3.467 3.467 3.467 4.610 4.406 4.809 1.342 19 24 [******************+**-**] 1
543 1 34 HIS H 1 35 ASN H 2.696 2.696 2.696 2.303 1.994 2.505 0.702 18 4 "[ . 1 .- + 2 **]" 1
544 1 34 HIS HA 1 34 HIS HD2 2.192 2.192 2.192 2.209 2.089 2.339 0.147 20 0 "[ . 1 . 2 ]" 1
545 1 34 HIS HA 1 35 ASN H 2.950 2.950 2.950 3.318 2.918 3.568 0.618 21 12 "[* * * * *1- * * * *2+ * ]" 1
546 1 34 HIS QB 1 34 HIS HD2 2.748 2.748 2.748 3.160 3.122 3.233 0.485 24 0 "[ . 1 . 2 ]" 1
547 1 34 HIS QB 1 35 ASN H 2.955 2.955 2.955 3.083 2.289 3.810 0.855 6 16 "[ ****+ *** *-*** * * *]" 1
548 1 35 ASN H 1 35 ASN QB 2.715 2.715 2.715 2.701 2.340 3.044 0.375 22 0 "[ . 1 . 2 ]" 1
549 1 35 ASN QB 1 37 ASP HA 3.364 3.364 3.364 4.316 3.054 5.225 1.861 1 17 "[+ * *** *-***** * *2*** ]" 1
550 1 35 ASN QB 1 38 MET H 3.249 3.249 3.249 3.932 2.722 5.534 2.285 10 16 "[ **.*** + ******- * * *]" 1
551 1 37 ASP H 1 37 ASP QB 2.734 2.734 2.734 3.129 2.648 3.367 0.633 13 11 "[ * * **1 *+ .* * 2* -*]" 1
552 1 37 ASP H 1 38 MET H 3.663 3.663 3.663 2.671 1.784 4.094 1.879 23 18 "[ ** .****1** *.*****-*+*]" 1
553 1 37 ASP HA 1 38 MET H 2.376 2.376 2.376 3.101 2.190 3.562 1.186 3 17 "[* +** **** **. * *-****]" 1
554 1 37 ASP HA 1 38 MET HA 3.342 3.342 3.342 4.465 4.353 4.627 1.285 4 24 [***+***-****************] 1
555 1 37 ASP QB 1 38 MET H 3.182 3.182 3.182 3.339 2.304 4.001 0.878 4 16 "[***+. * ****-.****2 ** ]" 1
556 1 38 MET H 1 38 MET QB 3.140 3.140 3.140 2.754 2.274 3.328 0.866 4 9 "[* *+* * * * . * 2 - ]" 1
557 1 38 MET H 1 39 CYS H 3.799 3.799 3.799 4.262 3.776 4.579 0.780 7 10 "[* *** + ** * . * 2 - ]" 1
558 1 38 MET HA 1 38 MET QG 2.925 2.925 2.925 2.674 2.408 3.364 0.517 15 3 "[ . * 1 -+ 2 ]" 1
559 1 38 MET HA 1 39 CYS H 2.533 2.533 2.533 2.300 2.099 2.641 0.434 15 0 "[ . 1 . 2 ]" 1
560 1 38 MET HA 1 39 CYS HA 3.449 3.449 3.449 4.352 4.283 4.409 0.960 7 24 [**-***+*****************] 1
561 1 38 MET QB 1 39 CYS H 3.397 3.397 3.397 3.230 2.206 3.815 1.191 8 6 "[ * . *+ *- . 2 * ]" 1
562 1 38 MET QB 1 39 CYS HA 3.610 3.610 3.610 4.534 4.024 4.860 1.250 15 22 "[****** **-****+****** **]" 1
563 1 38 MET QG 1 39 CYS H 3.113 3.113 3.113 3.264 2.058 4.661 1.548 5 18 "[ ***+** ******. ***2 **-]" 1
564 1 39 CYS H 1 39 CYS QB 2.982 2.982 2.982 2.463 2.317 2.675 0.665 17 13 "[* * *- *1 ** * + *** *]" 1
565 1 39 CYS H 1 40 GLN H 3.812 3.812 3.812 4.545 4.403 4.589 0.777 3 24 [**+***-*****************] 1
566 1 39 CYS HA 1 39 CYS QB 2.545 2.545 2.545 2.170 2.149 2.178 0.396 7 0 "[ . 1 . 2 ]" 1
567 1 39 CYS HA 1 40 GLN H 2.623 2.623 2.623 2.320 2.208 2.547 0.415 7 0 "[ . 1 . 2 ]" 1
568 1 39 CYS HA 1 40 GLN HA 3.350 3.350 3.350 4.245 4.179 4.374 1.024 15 24 [***********-**+*********] 1
569 1 39 CYS HA 1 41 SER H 3.599 3.599 3.599 4.057 3.826 4.442 0.843 16 7 "[ * * *1*- .+ 2 *]" 1
570 1 39 CYS QB 1 40 GLN H 2.955 2.955 2.955 2.744 2.386 3.238 0.569 11 1 "[ . 1+ . 2 ]" 1
571 1 39 CYS QB 1 41 SER H 3.166 3.166 3.166 3.206 2.862 3.602 0.436 7 0 "[ . 1 . 2 ]" 1
572 1 40 GLN H 1 40 GLN HA 2.955 2.955 2.955 2.837 2.751 2.942 0.204 16 0 "[ . 1 . 2 ]" 1
573 1 40 GLN H 1 40 GLN QB 2.841 2.841 2.841 2.393 2.177 2.825 0.664 2 9 "[*+* * 1-* *.* 2 *]" 1
574 1 40 GLN H 1 40 GLN QG 3.105 3.105 3.105 2.869 1.907 4.020 1.198 21 24 [****************-***+***] 1
575 1 40 GLN H 1 41 SER H 3.104 3.104 3.104 2.633 2.170 2.878 0.934 11 7 "[ -. *1+ * * * * ]" 1
576 1 40 GLN H 1 42 CYS H 3.772 3.772 3.772 4.344 3.940 5.228 1.456 7 12 "[** .*+*** - *** *2 ]" 1
577 1 40 GLN HA 1 40 GLN QB 2.232 2.232 2.232 2.331 2.173 2.404 0.172 2 0 "[ . 1 . 2 ]" 1
578 1 40 GLN HA 1 40 GLN QG 2.247 2.247 2.247 2.649 2.359 3.341 1.094 15 7 "[ - * * 1 + * 2** ]" 1
579 1 40 GLN HA 1 41 SER H 3.187 3.187 3.187 3.355 2.970 3.547 0.360 16 0 "[ . 1 . 2 ]" 1
580 1 40 GLN HA 1 42 CYS H 3.471 3.471 3.471 3.673 3.251 4.208 0.737 16 3 "[ .* 1- .+ 2 ]" 1
581 1 40 GLN QB 1 40 GLN QG 2.166 2.166 2.166 2.076 1.997 2.086 0.169 2 0 "[ . 1 . 2 ]" 1
582 1 40 GLN QB 1 41 SER H 3.024 3.024 3.024 3.261 2.595 4.018 0.994 7 6 "[ . + 1 * ** 2*- ]" 1
583 1 40 GLN QE 1 40 GLN QG 2.636 2.636 2.636 2.324 2.134 2.691 0.502 16 1 "[ . 1 .+ 2 ]" 1
584 1 40 GLN QG 1 41 SER H 3.288 3.288 3.288 3.934 2.705 4.426 1.138 9 19 "[****** *+*****. * ** -**]" 1
585 1 40 GLN QG 1 42 CYS H 3.501 3.501 3.501 5.126 4.594 5.578 2.077 6 24 [*****+***************-**] 1
586 1 41 SER H 1 41 SER HA 2.722 2.722 2.722 2.879 2.821 2.943 0.221 17 0 "[ . 1 . 2 ]" 1
587 1 41 SER H 1 41 SER QB 2.449 2.449 2.449 2.367 2.231 2.620 0.218 10 0 "[ . 1 . 2 ]" 1
588 1 41 SER H 1 42 CYS H 2.616 2.616 2.616 2.524 2.357 3.152 0.536 15 1 "[ . 1 + 2 ]" 1
589 1 41 SER HA 1 41 SER QB 2.272 2.272 2.272 2.368 2.333 2.407 0.135 8 0 "[ . 1 . 2 ]" 1
590 1 41 SER HA 1 42 CYS H 3.303 3.303 3.303 3.317 2.598 3.499 0.705 15 2 "[ . - 1 + 2 ]" 1
591 1 41 SER QB 1 42 CYS H 2.795 2.795 2.795 3.227 2.834 3.986 1.191 15 8 "[* . * *1 -+ * *2 * ]" 1
592 1 42 CYS H 1 42 CYS HA 2.727 2.727 2.727 2.933 2.872 2.952 0.225 14 0 "[ . 1 . 2 ]" 1
593 1 42 CYS H 1 42 CYS QB 2.549 2.549 2.549 2.624 2.414 3.327 0.778 7 2 "[ . + 1 . - 2 ]" 1
594 1 42 CYS HA 1 42 CYS QB 2.359 2.359 2.359 2.338 2.158 2.416 0.201 11 0 "[ . 1 . 2 ]" 1
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