NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619664 |
5u6l   |
30208 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5u6l
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 989
_Distance_constraint_stats_list.Viol_count 1916
_Distance_constraint_stats_list.Viol_total 3256.686
_Distance_constraint_stats_list.Viol_max 0.991
_Distance_constraint_stats_list.Viol_rms 0.0470
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0850
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.995 0.109 17 0 "[ . 1 . 2]"
1 4 LEU 0.995 0.109 17 0 "[ . 1 . 2]"
1 5 MET 0.021 0.011 8 0 "[ . 1 . 2]"
1 6 ARG 0.003 0.003 13 0 "[ . 1 . 2]"
1 7 THR 0.776 0.446 10 0 "[ . 1 . 2]"
1 8 ASP 5.279 0.446 10 0 "[ . 1 . 2]"
1 9 ARG 15.012 0.869 14 11 "[ ** .-* * *+*** *]"
1 10 LEU 12.415 0.869 14 11 "[ ** .-* * *+*** *]"
1 11 GLU 0.140 0.124 14 0 "[ . 1 . 2]"
1 12 VAL 7.963 0.617 20 2 "[ . - 1 . +]"
1 13 CYS 7.300 0.461 15 0 "[ . 1 . 2]"
1 14 ARG 4.576 0.609 20 1 "[ . 1 . +]"
1 15 GLU 2.860 0.119 15 0 "[ . 1 . 2]"
1 16 TYR 6.421 0.355 20 0 "[ . 1 . 2]"
1 17 GLN 11.311 0.609 20 1 "[ . 1 . +]"
1 18 ARG 7.015 0.429 20 0 "[ . 1 . 2]"
1 19 GLY 0.011 0.005 4 0 "[ . 1 . 2]"
1 20 ASN 1.416 0.081 15 0 "[ . 1 . 2]"
1 21 CYS 2.238 0.081 15 0 "[ . 1 . 2]"
1 22 ASN 0.076 0.073 19 0 "[ . 1 . 2]"
1 23 ARG 1.587 0.073 19 0 "[ . 1 . 2]"
1 24 GLY 1.095 0.088 19 0 "[ . 1 . 2]"
1 25 GLU 5.662 0.991 20 3 "[ -. * . +]"
1 26 ASN 2.962 0.991 20 2 "[ . - . +]"
1 27 ASP 2.287 0.088 19 0 "[ . 1 . 2]"
1 28 CYS 0.111 0.032 7 0 "[ . 1 . 2]"
1 29 ARG 5.430 0.653 6 6 "[* **+- * . 2]"
1 30 PHE 5.964 0.653 6 6 "[* **+- * . 2]"
1 31 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
1 32 HIS 0.766 0.055 18 0 "[ . 1 . 2]"
1 33 PRO 8.070 0.675 2 1 "[ + . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 2.192 0.675 2 1 "[ + . 1 . 2]"
1 40 ASP 14.833 0.892 14 5 "[ * . * 1- +. * 2]"
1 41 THR 3.581 0.408 14 0 "[ . 1 . 2]"
1 42 ASN 5.294 0.877 15 2 "[ . 1 + -2]"
1 43 ASP 11.363 0.877 15 6 "[ * . * 1- + **2]"
1 44 ASN 3.737 0.617 20 2 "[ . - 1 . +]"
1 45 THR 4.533 0.892 14 1 "[ . 1 +. 2]"
1 46 VAL 14.645 0.811 20 8 "[ - .** * *** +]"
1 47 THR 1.309 0.192 2 0 "[ . 1 . 2]"
1 48 VAL 3.815 0.816 9 1 "[ . +1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 MET 4.441 0.448 14 0 "[ . 1 . 2]"
1 51 ASP 3.887 0.097 20 0 "[ . 1 . 2]"
1 52 TYR 5.583 0.121 18 0 "[ . 1 . 2]"
1 53 ILE 12.041 0.448 14 0 "[ . 1 . 2]"
1 54 LYS 3.062 0.121 18 0 "[ . 1 . 2]"
1 55 GLY 2.388 0.097 10 0 "[ . 1 . 2]"
1 56 ARG 3.254 0.097 20 0 "[ . 1 . 2]"
1 57 CYS 1.774 0.103 19 0 "[ . 1 . 2]"
1 58 SER 2.370 0.115 20 0 "[ . 1 . 2]"
1 59 ARG 3.628 0.115 20 0 "[ . 1 . 2]"
1 60 GLU 1.488 0.067 5 0 "[ . 1 . 2]"
1 61 LYS 1.259 0.078 9 0 "[ . 1 . 2]"
1 62 CYS 4.517 0.109 12 0 "[ . 1 . 2]"
1 63 LYS 5.896 0.116 10 0 "[ . 1 . 2]"
1 64 TYR 3.743 0.116 10 0 "[ . 1 . 2]"
1 65 PHE 0.053 0.017 9 0 "[ . 1 . 2]"
1 66 HIS 4.366 0.814 9 1 "[ . +1 . 2]"
1 67 PRO 8.996 0.816 9 1 "[ . +1 . 2]"
1 68 PRO 8.937 0.691 4 3 "[- *+. 1 . 2]"
1 70 HIS 0.097 0.023 10 0 "[ . 1 . 2]"
1 71 LEU 10.109 0.553 3 2 "[- + . 1 . 2]"
1 72 GLN 11.351 0.472 3 0 "[ . 1 . 2]"
1 73 ALA 0.841 0.095 4 0 "[ . 1 . 2]"
1 74 LYS 5.995 0.296 11 0 "[ . 1 . 2]"
1 75 ILE 7.561 0.166 2 0 "[ . 1 . 2]"
1 76 LYS 2.652 0.203 5 0 "[ . 1 . 2]"
1 77 ALA 0.744 0.095 4 0 "[ . 1 . 2]"
1 78 ALA 3.906 0.166 2 0 "[ . 1 . 2]"
1 79 GLN 1.608 0.103 8 0 "[ . 1 . 2]"
1 81 GLN 0.868 0.072 10 0 "[ . 1 . 2]"
1 82 VAL 0.895 0.072 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS HA 1 4 LEU H . . 3.270 3.073 2.154 3.379 0.109 17 0 "[ . 1 . 2]" 1
2 1 4 LEU H 1 4 LEU QB . . 3.460 2.436 2.185 3.190 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 4 LEU QD . . 5.230 3.192 1.923 3.979 . 0 0 "[ . 1 . 2]" 1
4 1 4 LEU HA 1 4 LEU QD . . 3.800 2.414 2.075 3.471 . 0 0 "[ . 1 . 2]" 1
5 1 4 LEU HA 1 5 MET H . . 3.590 2.914 2.112 3.555 . 0 0 "[ . 1 . 2]" 1
6 1 5 MET H 1 5 MET QG . . 5.090 2.856 2.017 4.060 . 0 0 "[ . 1 . 2]" 1
7 1 5 MET HA 1 5 MET ME . . 4.490 4.059 2.653 4.501 0.011 8 0 "[ . 1 . 2]" 1
8 1 5 MET QB 1 6 ARG H . . 4.550 3.092 2.169 3.883 . 0 0 "[ . 1 . 2]" 1
9 1 5 MET QG 1 6 ARG H . . 5.520 3.772 2.431 4.607 . 0 0 "[ . 1 . 2]" 1
10 1 6 ARG H 1 6 ARG QB . . 3.830 2.734 2.243 3.310 . 0 0 "[ . 1 . 2]" 1
11 1 6 ARG H 1 6 ARG QD . . 5.750 4.452 3.656 5.094 . 0 0 "[ . 1 . 2]" 1
12 1 6 ARG H 1 6 ARG QG . . 4.180 3.113 2.095 4.183 0.003 13 0 "[ . 1 . 2]" 1
13 1 6 ARG HA 1 6 ARG QD . . 4.950 3.765 2.172 4.311 . 0 0 "[ . 1 . 2]" 1
14 1 6 ARG HA 1 7 THR H . . 3.760 2.276 2.101 2.459 . 0 0 "[ . 1 . 2]" 1
15 1 6 ARG QB 1 7 THR H . . 4.640 2.745 2.067 3.905 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG HB2 1 7 THR H . . 5.370 3.571 2.169 4.393 . 0 0 "[ . 1 . 2]" 1
17 1 6 ARG HB3 1 7 THR H . . 5.370 3.134 2.090 4.374 . 0 0 "[ . 1 . 2]" 1
18 1 6 ARG QG 1 7 THR H . . 5.560 3.740 2.260 4.651 . 0 0 "[ . 1 . 2]" 1
19 1 7 THR H 1 7 THR MG . . 4.540 3.499 2.618 4.021 . 0 0 "[ . 1 . 2]" 1
20 1 7 THR HA 1 7 THR MG . . 3.530 2.632 2.269 3.288 . 0 0 "[ . 1 . 2]" 1
21 1 7 THR HB 1 8 ASP H . . 4.380 3.311 2.057 4.088 . 0 0 "[ . 1 . 2]" 1
22 1 7 THR MG 1 8 ASP H . . 4.770 2.783 1.844 4.392 . 0 0 "[ . 1 . 2]" 1
23 1 7 THR MG 1 8 ASP HB2 . . 5.750 4.210 2.493 5.230 . 0 0 "[ . 1 . 2]" 1
24 1 7 THR MG 1 8 ASP HB3 . . 5.750 4.732 3.425 6.196 0.446 10 0 "[ . 1 . 2]" 1
25 1 7 THR MG 1 9 ARG H . . 5.750 5.236 4.267 5.825 0.075 10 0 "[ . 1 . 2]" 1
26 1 8 ASP H 1 8 ASP HB2 . . 4.350 3.023 2.638 3.724 . 0 0 "[ . 1 . 2]" 1
27 1 8 ASP H 1 8 ASP QB . . 3.710 2.788 2.569 3.136 . 0 0 "[ . 1 . 2]" 1
28 1 8 ASP H 1 8 ASP HB3 . . 4.350 3.465 2.861 3.896 . 0 0 "[ . 1 . 2]" 1
29 1 8 ASP H 1 9 ARG H . . 4.470 4.289 4.178 4.368 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASP H 1 9 ARG HA . . 5.160 4.811 4.605 5.110 . 0 0 "[ . 1 . 2]" 1
31 1 8 ASP H 1 9 ARG QB . . 5.340 5.362 5.171 5.433 0.093 4 0 "[ . 1 . 2]" 1
32 1 8 ASP H 1 47 THR MG . . 5.140 3.188 2.537 4.074 . 0 0 "[ . 1 . 2]" 1
33 1 8 ASP H 1 48 VAL H . . 4.610 3.803 3.429 4.678 0.068 9 0 "[ . 1 . 2]" 1
34 1 8 ASP H 1 48 VAL MG2 . . 5.750 5.046 4.687 5.534 . 0 0 "[ . 1 . 2]" 1
35 1 8 ASP H 1 50 MET ME . . 4.940 3.393 2.385 4.933 . 0 0 "[ . 1 . 2]" 1
36 1 8 ASP HA 1 48 VAL H . . 5.360 5.055 4.856 5.326 . 0 0 "[ . 1 . 2]" 1
37 1 8 ASP HA 1 48 VAL HB . . 5.190 5.136 4.937 5.223 0.033 19 0 "[ . 1 . 2]" 1
38 1 8 ASP HA 1 50 MET ME . . 4.710 4.394 4.114 4.724 0.014 4 0 "[ . 1 . 2]" 1
39 1 8 ASP HA 1 75 ILE MD . . 4.920 4.827 4.354 4.989 0.069 18 0 "[ . 1 . 2]" 1
40 1 8 ASP QB 1 9 ARG H . . 4.570 3.009 2.302 3.734 . 0 0 "[ . 1 . 2]" 1
41 1 8 ASP QB 1 48 VAL H . . 4.220 3.798 3.177 4.207 . 0 0 "[ . 1 . 2]" 1
42 1 8 ASP QB 1 48 VAL HB . . 4.640 2.771 2.251 3.001 . 0 0 "[ . 1 . 2]" 1
43 1 8 ASP QB 1 48 VAL MG2 . . 5.350 3.538 2.756 3.864 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASP QB 1 50 MET ME . . 4.580 2.070 1.971 2.342 . 0 0 "[ . 1 . 2]" 1
45 1 8 ASP QB 1 53 ILE QG . . 4.520 4.219 3.885 4.534 0.014 9 0 "[ . 1 . 2]" 1
46 1 8 ASP HB2 1 9 ARG H . . 5.180 4.009 3.300 4.413 . 0 0 "[ . 1 . 2]" 1
47 1 8 ASP HB2 1 47 THR MG . . 5.750 5.250 4.404 5.766 0.016 11 0 "[ . 1 . 2]" 1
48 1 8 ASP HB2 1 48 VAL H . . 5.090 4.719 3.225 5.327 0.237 11 0 "[ . 1 . 2]" 1
49 1 8 ASP HB2 1 50 MET ME . . 5.440 2.361 2.088 2.915 . 0 0 "[ . 1 . 2]" 1
50 1 8 ASP HB2 1 53 ILE QG . . 5.250 4.893 4.071 5.641 0.391 19 0 "[ . 1 . 2]" 1
51 1 8 ASP HB3 1 9 ARG H . . 5.180 3.175 2.327 4.097 . 0 0 "[ . 1 . 2]" 1
52 1 8 ASP HB3 1 47 THR MG . . 5.750 5.200 4.183 5.942 0.192 2 0 "[ . 1 . 2]" 1
53 1 8 ASP HB3 1 48 VAL H . . 5.090 4.211 3.341 4.921 . 0 0 "[ . 1 . 2]" 1
54 1 8 ASP HB3 1 50 MET ME . . 5.440 2.670 2.054 3.681 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASP HB3 1 53 ILE QG . . 5.250 4.824 4.156 5.633 0.383 9 0 "[ . 1 . 2]" 1
56 1 9 ARG H 1 9 ARG QB . . 3.680 2.604 2.433 2.764 . 0 0 "[ . 1 . 2]" 1
57 1 9 ARG H 1 9 ARG QD . . 5.590 4.700 4.322 5.048 . 0 0 "[ . 1 . 2]" 1
58 1 9 ARG H 1 10 LEU H . . 4.790 4.485 4.403 4.538 . 0 0 "[ . 1 . 2]" 1
59 1 9 ARG H 1 47 THR MG . . 5.750 5.290 5.046 5.694 . 0 0 "[ . 1 . 2]" 1
60 1 9 ARG H 1 48 VAL MG2 . . 5.160 3.973 3.150 4.242 . 0 0 "[ . 1 . 2]" 1
61 1 9 ARG HA 1 9 ARG HD2 . . 4.760 4.360 2.996 4.947 0.187 14 0 "[ . 1 . 2]" 1
62 1 9 ARG HA 1 9 ARG QD . . 4.140 3.569 2.102 4.108 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG HA 1 9 ARG HD3 . . 4.760 3.863 2.147 4.779 0.019 3 0 "[ . 1 . 2]" 1
64 1 9 ARG HA 1 10 LEU H . . 2.920 2.344 2.237 2.445 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG HA 1 45 THR HB . . 5.020 4.349 3.812 4.918 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG HA 1 47 THR H . . 5.750 4.751 4.628 4.946 . 0 0 "[ . 1 . 2]" 1
67 1 9 ARG HA 1 47 THR HA . . 3.970 2.541 2.412 2.800 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG HA 1 47 THR MG . . 4.970 4.067 3.927 4.306 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG HA 1 48 VAL H . . 3.830 2.839 2.606 3.196 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG HA 1 48 VAL MG2 . . 4.360 2.355 2.214 2.792 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG QB 1 10 LEU H . . 3.310 2.563 2.300 2.908 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG QB 1 10 LEU HA . . 4.510 4.096 3.958 4.274 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG QB 1 45 THR HB . . 3.810 2.311 2.098 2.617 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG QB 1 45 THR MG . . 4.080 2.999 2.634 3.498 . 0 0 "[ . 1 . 2]" 1
75 1 9 ARG QB 1 46 VAL H . . 4.290 3.499 3.016 3.934 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG QB 1 47 THR H . . 5.750 5.181 4.483 5.724 . 0 0 "[ . 1 . 2]" 1
77 1 9 ARG QB 1 47 THR HA . . 4.730 3.859 3.288 4.468 . 0 0 "[ . 1 . 2]" 1
78 1 9 ARG QB 1 48 VAL H . . 5.150 4.781 4.292 5.205 0.055 9 0 "[ . 1 . 2]" 1
79 1 9 ARG QD 1 45 THR MG . . 4.800 3.466 3.162 4.103 . 0 0 "[ . 1 . 2]" 1
80 1 9 ARG QD 1 46 VAL H . . 4.790 3.882 2.728 4.689 . 0 0 "[ . 1 . 2]" 1
81 1 9 ARG QD 1 47 THR H . . 5.310 4.276 3.144 5.095 . 0 0 "[ . 1 . 2]" 1
82 1 9 ARG QD 1 47 THR HA . . 4.960 3.576 2.067 4.156 . 0 0 "[ . 1 . 2]" 1
83 1 9 ARG QD 1 48 VAL H . . 5.590 5.198 3.811 5.611 0.021 13 0 "[ . 1 . 2]" 1
84 1 9 ARG HD2 1 10 LEU H . . 5.080 5.004 3.440 5.949 0.869 14 8 "[ * .-* * +** *]" 1
85 1 9 ARG HD2 1 45 THR HB . . 4.840 3.533 2.296 4.875 0.035 15 0 "[ . 1 . 2]" 1
86 1 9 ARG HD2 1 46 VAL H . . 5.460 5.031 3.116 6.271 0.811 20 7 "[ .** * **- +]" 1
87 1 9 ARG HD2 1 47 THR HA . . 5.710 4.531 3.747 5.075 . 0 0 "[ . 1 . 2]" 1
88 1 9 ARG HD3 1 10 LEU H . . 5.080 4.380 3.168 5.801 0.721 3 3 "[ + . 1 - . * 2]" 1
89 1 9 ARG HD3 1 45 THR HB . . 4.840 3.143 2.116 4.738 . 0 0 "[ . 1 . 2]" 1
90 1 9 ARG HD3 1 46 VAL H . . 5.460 4.286 2.758 5.968 0.508 3 1 "[ + . 1 . 2]" 1
91 1 9 ARG HD3 1 47 THR HA . . 5.710 3.843 2.076 4.665 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU H 1 10 LEU HB2 . . 3.500 2.603 2.507 2.796 . 0 0 "[ . 1 . 2]" 1
93 1 10 LEU H 1 10 LEU HB3 . . 4.010 3.375 3.077 3.487 . 0 0 "[ . 1 . 2]" 1
94 1 10 LEU H 1 11 GLU H . . 4.870 4.404 4.329 4.473 . 0 0 "[ . 1 . 2]" 1
95 1 10 LEU H 1 11 GLU HA . . 5.150 5.018 4.871 5.128 . 0 0 "[ . 1 . 2]" 1
96 1 10 LEU H 1 12 VAL MG2 . . 5.150 4.683 4.637 4.729 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU H 1 45 THR HB . . 3.930 3.163 2.799 3.589 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU H 1 46 VAL HB . . 5.610 4.887 4.663 5.222 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU H 1 46 VAL MG1 . . 4.810 5.024 4.870 5.266 0.456 13 0 "[ . 1 . 2]" 1
100 1 10 LEU H 1 46 VAL MG2 . . 3.740 2.994 2.765 3.318 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU H 1 48 VAL H . . 4.900 4.641 4.544 4.774 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU H 1 48 VAL HB . . 5.750 5.423 5.162 5.777 0.027 9 0 "[ . 1 . 2]" 1
103 1 10 LEU H 1 48 VAL MG2 . . 3.550 2.896 2.747 3.047 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU H 1 65 PHE QD . . 5.750 4.985 4.685 5.211 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU H 1 75 ILE MD . . 5.340 4.944 4.779 5.215 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU HA 1 10 LEU HG . . 3.490 2.471 2.404 2.526 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU HB2 1 11 GLU H . . 4.780 4.346 4.248 4.483 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU HB2 1 31 ALA MB . . 4.950 3.862 3.528 4.648 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU HB2 1 46 VAL H . . 4.520 4.245 3.983 4.648 0.128 13 0 "[ . 1 . 2]" 1
110 1 10 LEU HB2 1 46 VAL MG2 . . 3.950 2.840 2.478 3.478 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HB2 1 48 VAL MG2 . . 3.870 2.260 2.060 2.391 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HB2 1 65 PHE HB3 . . 5.380 4.691 4.491 4.962 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HB2 1 71 LEU QD . . 5.550 5.463 5.359 5.782 0.232 9 0 "[ . 1 . 2]" 1
114 1 10 LEU HB2 1 75 ILE HG13 . . 4.720 3.968 3.105 4.101 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU HB3 1 11 GLU H . . 3.890 3.368 3.172 3.673 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU HB3 1 12 VAL MG2 . . 5.170 4.166 3.899 4.289 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU HB3 1 31 ALA MB . . 4.930 2.642 2.314 3.391 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU HB3 1 46 VAL H . . 5.150 4.237 3.843 4.504 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU HB3 1 46 VAL MG1 . . 5.670 5.360 4.973 5.700 0.030 13 0 "[ . 1 . 2]" 1
120 1 10 LEU HB3 1 46 VAL MG2 . . 4.190 2.960 2.510 3.322 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU HB3 1 71 LEU QD . . 5.390 4.538 4.343 5.107 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HG 1 71 LEU HB3 . . 4.850 4.461 4.434 4.485 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HG 1 75 ILE MD . . 3.320 2.228 2.173 2.336 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU HG 1 75 ILE HG12 . . 4.340 2.876 2.517 3.032 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HG 1 75 ILE HG13 . . 4.250 2.393 2.228 2.543 . 0 0 "[ . 1 . 2]" 1
126 1 11 GLU H 1 11 GLU QB . . 3.310 2.340 2.200 2.395 . 0 0 "[ . 1 . 2]" 1
127 1 11 GLU H 1 11 GLU QG . . 3.730 2.768 2.340 3.854 0.124 14 0 "[ . 1 . 2]" 1
128 1 11 GLU H 1 12 VAL H . . 4.910 4.520 4.438 4.628 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLU H 1 31 ALA MB . . 5.750 4.255 4.046 4.604 . 0 0 "[ . 1 . 2]" 1
130 1 11 GLU H 1 45 THR HA . . 5.750 4.920 4.812 5.042 . 0 0 "[ . 1 . 2]" 1
131 1 11 GLU H 1 45 THR MG . . 4.140 3.725 3.440 3.986 . 0 0 "[ . 1 . 2]" 1
132 1 11 GLU H 1 71 LEU QD . . 5.750 4.586 4.376 4.847 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLU HA 1 12 VAL H . . 2.880 2.100 2.041 2.197 . 0 0 "[ . 1 . 2]" 1
134 1 11 GLU HA 1 12 VAL HB . . 5.240 4.420 4.305 4.527 . 0 0 "[ . 1 . 2]" 1
135 1 11 GLU HA 1 12 VAL MG2 . . 4.440 3.634 3.340 3.789 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLU HA 1 45 THR HA . . 3.330 2.854 2.672 3.024 . 0 0 "[ . 1 . 2]" 1
137 1 11 GLU HA 1 45 THR HB . . 4.390 4.089 3.778 4.258 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLU HA 1 45 THR MG . . 3.320 2.141 2.081 2.213 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLU HA 1 46 VAL H . . 4.590 4.385 4.194 4.578 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLU QB 1 12 VAL H . . 3.750 3.265 2.902 3.746 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLU QB 1 45 THR HA . . 5.230 4.880 4.726 5.007 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLU QB 1 45 THR MG . . 4.290 3.716 3.128 3.868 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLU QG 1 12 VAL H . . 4.740 3.974 2.679 4.755 0.015 7 0 "[ . 1 . 2]" 1
144 1 11 GLU QG 1 45 THR MG . . 4.050 2.630 2.367 3.480 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL H 1 12 VAL HB . . 3.050 2.375 2.240 2.441 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL H 1 12 VAL MG1 . . 4.000 3.771 3.710 3.803 . 0 0 "[ . 1 . 2]" 1
147 1 12 VAL H 1 12 VAL MG2 . . 3.120 2.460 2.395 2.592 . 0 0 "[ . 1 . 2]" 1
148 1 12 VAL H 1 13 CYS H . . 4.850 4.591 4.513 4.627 . 0 0 "[ . 1 . 2]" 1
149 1 12 VAL H 1 44 ASN HB2 . . 5.290 4.684 3.442 5.907 0.617 20 2 "[ . - 1 . +]" 1
150 1 12 VAL H 1 44 ASN QB . . 4.660 3.950 3.106 4.452 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL H 1 44 ASN HB3 . . 5.290 4.715 3.347 5.448 0.158 16 0 "[ . 1 . 2]" 1
152 1 12 VAL H 1 44 ASN HD21 . . 5.750 3.525 2.659 5.360 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL H 1 45 THR H . . 5.330 4.687 4.304 4.842 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL H 1 45 THR HA . . 3.410 2.727 2.397 3.145 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL H 1 45 THR MG . . 3.830 3.421 3.304 3.642 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL H 1 46 VAL H . . 5.010 4.575 4.417 5.012 0.002 8 0 "[ . 1 . 2]" 1
157 1 12 VAL H 1 46 VAL MG1 . . 4.870 5.038 4.920 5.252 0.382 8 0 "[ . 1 . 2]" 1
158 1 12 VAL H 1 46 VAL MG2 . . 5.750 4.446 4.330 4.648 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL HA 1 12 VAL MG1 . . 3.600 2.488 2.430 2.628 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL HA 1 12 VAL MG2 . . 3.280 2.343 2.244 2.363 . 0 0 "[ . 1 . 2]" 1
161 1 12 VAL HA 1 13 CYS H . . 2.990 2.226 2.152 2.303 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL HA 1 30 PHE HB3 . . 5.130 3.300 3.080 3.494 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL HA 1 31 ALA H . . 4.280 2.985 2.816 3.112 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL HA 1 33 PRO HD2 . . 5.330 4.446 4.207 4.791 . 0 0 "[ . 1 . 2]" 1
165 1 12 VAL HA 1 46 VAL MG1 . . 5.130 4.948 4.716 5.257 0.127 11 0 "[ . 1 . 2]" 1
166 1 12 VAL HA 1 46 VAL MG2 . . 5.280 4.143 3.971 4.385 . 0 0 "[ . 1 . 2]" 1
167 1 12 VAL HB 1 44 ASN HA . . 5.540 3.705 3.063 4.060 . 0 0 "[ . 1 . 2]" 1
168 1 12 VAL HB 1 45 THR H . . 5.510 4.547 3.784 4.964 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL MG1 1 13 CYS H . . 3.300 2.440 2.300 2.671 . 0 0 "[ . 1 . 2]" 1
170 1 12 VAL MG1 1 13 CYS QB . . 5.240 3.452 3.310 3.563 . 0 0 "[ . 1 . 2]" 1
171 1 12 VAL MG1 1 14 ARG H . . 5.150 4.619 4.366 4.707 . 0 0 "[ . 1 . 2]" 1
172 1 12 VAL MG1 1 14 ARG HA . . 5.130 4.131 3.704 4.356 . 0 0 "[ . 1 . 2]" 1
173 1 12 VAL MG1 1 15 GLU H . . 5.750 5.200 5.068 5.255 . 0 0 "[ . 1 . 2]" 1
174 1 12 VAL MG1 1 16 TYR H . . 5.430 4.679 4.517 4.820 . 0 0 "[ . 1 . 2]" 1
175 1 12 VAL MG1 1 17 GLN H . . 4.210 3.198 3.106 3.325 . 0 0 "[ . 1 . 2]" 1
176 1 12 VAL MG1 1 17 GLN HB2 . . 4.160 2.202 2.101 2.398 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL MG1 1 17 GLN HB3 . . 5.060 3.469 3.105 3.768 . 0 0 "[ . 1 . 2]" 1
178 1 12 VAL MG1 1 17 GLN QG . . 3.890 3.296 2.945 3.553 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL MG1 1 18 ARG H . . 5.750 5.244 5.225 5.275 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL MG1 1 32 HIS HA . . 5.310 3.298 3.078 3.808 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL MG1 1 33 PRO HD2 . . 4.090 2.411 2.277 2.908 . 0 0 "[ . 1 . 2]" 1
182 1 12 VAL MG1 1 33 PRO HD3 . . 4.540 2.441 2.328 2.602 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL MG1 1 33 PRO HG2 . . 5.260 3.194 2.627 3.378 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL MG1 1 46 VAL H . . 5.750 5.699 5.606 5.795 0.045 8 0 "[ . 1 . 2]" 1
185 1 12 VAL MG2 1 13 CYS H . . 4.430 3.871 3.780 3.920 . 0 0 "[ . 1 . 2]" 1
186 1 12 VAL MG2 1 33 PRO HD2 . . 4.480 3.536 3.395 3.762 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL MG2 1 33 PRO HD3 . . 4.810 2.467 2.319 2.670 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL MG2 1 33 PRO HG2 . . 4.120 3.498 2.414 3.729 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL MG2 1 33 PRO HG3 . . 3.940 2.231 2.080 2.343 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL MG2 1 39 ILE MD . . 3.250 3.234 3.047 3.466 0.216 9 0 "[ . 1 . 2]" 1
191 1 12 VAL MG2 1 44 ASN HA . . 5.260 4.241 3.919 4.471 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL MG2 1 45 THR HA . . 3.550 2.300 2.225 2.368 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL MG2 1 45 THR HB . . 4.870 4.298 4.131 4.395 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL MG2 1 46 VAL H . . 3.740 2.966 2.866 3.090 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL MG2 1 46 VAL HA . . 5.080 4.162 4.039 4.285 . 0 0 "[ . 1 . 2]" 1
196 1 12 VAL MG2 1 46 VAL HB . . 4.620 4.187 4.136 4.229 . 0 0 "[ . 1 . 2]" 1
197 1 12 VAL MG2 1 46 VAL MG2 . . 3.700 2.160 2.096 2.244 . 0 0 "[ . 1 . 2]" 1
198 1 13 CYS H 1 13 CYS QB . . 3.030 2.241 2.205 2.275 . 0 0 "[ . 1 . 2]" 1
199 1 13 CYS H 1 14 ARG H . . 4.910 4.490 4.450 4.541 . 0 0 "[ . 1 . 2]" 1
200 1 13 CYS H 1 15 GLU H . . 5.750 5.410 5.310 5.547 . 0 0 "[ . 1 . 2]" 1
201 1 13 CYS H 1 16 TYR H . . 5.610 4.974 4.901 5.058 . 0 0 "[ . 1 . 2]" 1
202 1 13 CYS H 1 16 TYR QD . . 4.690 4.406 3.977 4.667 . 0 0 "[ . 1 . 2]" 1
203 1 13 CYS H 1 17 GLN H . . 5.700 4.874 4.758 5.120 . 0 0 "[ . 1 . 2]" 1
204 1 13 CYS H 1 17 GLN HB2 . . 5.740 5.042 4.871 5.276 . 0 0 "[ . 1 . 2]" 1
205 1 13 CYS H 1 30 PHE HB3 . . 3.760 3.087 2.971 3.201 . 0 0 "[ . 1 . 2]" 1
206 1 13 CYS H 1 30 PHE QD . . 4.910 4.678 4.392 4.803 . 0 0 "[ . 1 . 2]" 1
207 1 13 CYS H 1 31 ALA H . . 4.040 3.611 3.431 3.752 . 0 0 "[ . 1 . 2]" 1
208 1 13 CYS H 1 31 ALA HA . . 5.750 4.921 4.813 5.003 . 0 0 "[ . 1 . 2]" 1
209 1 13 CYS H 1 32 HIS HA . . 4.460 3.652 3.561 3.752 . 0 0 "[ . 1 . 2]" 1
210 1 13 CYS H 1 32 HIS HD2 . . 3.910 3.104 2.870 3.436 . 0 0 "[ . 1 . 2]" 1
211 1 13 CYS H 1 33 PRO HD2 . . 5.000 4.264 4.166 4.625 . 0 0 "[ . 1 . 2]" 1
212 1 13 CYS H 1 33 PRO HG2 . . 5.750 6.095 5.417 6.211 0.461 15 0 "[ . 1 . 2]" 1
213 1 13 CYS HA 1 14 ARG H . . 2.990 2.074 2.011 2.128 . 0 0 "[ . 1 . 2]" 1
214 1 13 CYS HA 1 15 GLU H . . 3.990 3.732 3.686 3.784 . 0 0 "[ . 1 . 2]" 1
215 1 13 CYS HA 1 30 PHE H . . 5.420 4.877 4.757 5.058 . 0 0 "[ . 1 . 2]" 1
216 1 13 CYS HA 1 30 PHE HB2 . . 4.100 2.384 2.263 2.552 . 0 0 "[ . 1 . 2]" 1
217 1 13 CYS HA 1 30 PHE HB3 . . 3.940 2.957 2.772 3.361 . 0 0 "[ . 1 . 2]" 1
218 1 13 CYS HA 1 30 PHE QD . . 4.500 2.509 2.208 2.858 . 0 0 "[ . 1 . 2]" 1
219 1 13 CYS HA 1 32 HIS HD2 . . 4.960 4.658 4.552 4.810 . 0 0 "[ . 1 . 2]" 1
220 1 13 CYS QB 1 14 ARG H . . 4.360 3.807 3.740 3.894 . 0 0 "[ . 1 . 2]" 1
221 1 13 CYS QB 1 15 GLU H . . 3.910 3.661 3.532 3.838 . 0 0 "[ . 1 . 2]" 1
222 1 13 CYS QB 1 16 TYR HB2 . . 4.330 2.542 2.282 3.141 . 0 0 "[ . 1 . 2]" 1
223 1 13 CYS QB 1 16 TYR QD . . 4.750 3.833 3.697 3.976 . 0 0 "[ . 1 . 2]" 1
224 1 13 CYS QB 1 30 PHE HB3 . . 4.160 3.336 3.205 3.522 . 0 0 "[ . 1 . 2]" 1
225 1 13 CYS QB 1 30 PHE QD . . 4.970 3.485 3.278 3.703 . 0 0 "[ . 1 . 2]" 1
226 1 13 CYS QB 1 32 HIS HD2 . . 3.660 2.286 2.186 2.391 . 0 0 "[ . 1 . 2]" 1
227 1 14 ARG H 1 14 ARG QB . . 2.980 2.204 2.061 2.407 . 0 0 "[ . 1 . 2]" 1
228 1 14 ARG H 1 14 ARG QD . . 4.750 4.402 4.172 4.725 . 0 0 "[ . 1 . 2]" 1
229 1 14 ARG H 1 14 ARG QG . . 4.260 3.864 2.491 4.106 . 0 0 "[ . 1 . 2]" 1
230 1 14 ARG H 1 15 GLU H . . 3.390 2.816 2.772 2.844 . 0 0 "[ . 1 . 2]" 1
231 1 14 ARG H 1 15 GLU HA . . 5.750 5.460 5.435 5.493 . 0 0 "[ . 1 . 2]" 1
232 1 14 ARG H 1 15 GLU QB . . 5.040 4.924 4.833 5.020 . 0 0 "[ . 1 . 2]" 1
233 1 14 ARG H 1 15 GLU QG . . 4.890 4.496 4.298 4.714 . 0 0 "[ . 1 . 2]" 1
234 1 14 ARG H 1 16 TYR H . . 5.100 4.487 4.399 4.619 . 0 0 "[ . 1 . 2]" 1
235 1 14 ARG H 1 17 GLN H . . 5.470 4.836 4.725 4.933 . 0 0 "[ . 1 . 2]" 1
236 1 14 ARG H 1 17 GLN HB2 . . 5.390 5.478 5.077 5.999 0.609 20 1 "[ . 1 . +]" 1
237 1 14 ARG H 1 30 PHE HB3 . . 5.060 4.752 4.474 5.243 0.183 8 0 "[ . 1 . 2]" 1
238 1 14 ARG H 1 30 PHE QD . . 4.850 3.358 3.047 3.695 . 0 0 "[ . 1 . 2]" 1
239 1 14 ARG HA 1 14 ARG QG . . 4.010 2.927 2.330 3.516 . 0 0 "[ . 1 . 2]" 1
240 1 14 ARG HA 1 15 GLU H . . 3.850 3.437 3.376 3.496 . 0 0 "[ . 1 . 2]" 1
241 1 14 ARG HA 1 16 TYR H . . 5.490 4.646 4.462 4.750 . 0 0 "[ . 1 . 2]" 1
242 1 14 ARG HA 1 17 GLN H . . 3.730 3.529 3.159 3.755 0.025 3 0 "[ . 1 . 2]" 1
243 1 14 ARG HA 1 17 GLN HB2 . . 3.930 3.642 3.064 4.357 0.427 20 0 "[ . 1 . 2]" 1
244 1 14 ARG HA 1 17 GLN HB3 . . 4.670 2.564 2.115 2.892 . 0 0 "[ . 1 . 2]" 1
245 1 14 ARG HA 1 17 GLN QG . . 4.910 4.217 2.986 4.689 . 0 0 "[ . 1 . 2]" 1
246 1 14 ARG QB 1 15 GLU H . . 4.070 3.269 3.061 3.761 . 0 0 "[ . 1 . 2]" 1
247 1 14 ARG QD 1 15 GLU H . . 4.750 4.605 3.298 4.784 0.034 18 0 "[ . 1 . 2]" 1
248 1 14 ARG QD 1 18 ARG H . . 4.510 4.163 3.581 4.545 0.035 6 0 "[ . 1 . 2]" 1
249 1 14 ARG QD 1 18 ARG HB2 . . 4.100 4.034 3.587 4.147 0.047 7 0 "[ . 1 . 2]" 1
250 1 14 ARG QD 1 18 ARG QG . . 3.680 2.411 2.068 3.742 0.062 15 0 "[ . 1 . 2]" 1
251 1 15 GLU H 1 15 GLU QB . . 3.050 2.466 2.382 2.556 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLU H 1 15 GLU QG . . 3.180 2.710 2.449 2.919 . 0 0 "[ . 1 . 2]" 1
253 1 15 GLU H 1 16 TYR H . . 3.240 2.308 2.163 2.532 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLU H 1 16 TYR QD . . 5.750 5.822 5.778 5.869 0.119 15 0 "[ . 1 . 2]" 1
255 1 15 GLU H 1 17 GLN H . . 4.200 3.743 3.638 3.821 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLU H 1 18 ARG H . . 5.090 4.529 4.456 4.653 . 0 0 "[ . 1 . 2]" 1
257 1 15 GLU H 1 21 CYS HB2 . . 4.240 4.158 4.003 4.264 0.024 15 0 "[ . 1 . 2]" 1
258 1 15 GLU HA 1 18 ARG H . . 3.890 3.412 3.303 3.554 . 0 0 "[ . 1 . 2]" 1
259 1 15 GLU HA 1 18 ARG HB3 . . 4.280 4.295 4.131 4.370 0.090 20 0 "[ . 1 . 2]" 1
260 1 15 GLU HA 1 18 ARG QG . . 4.390 3.855 2.167 4.271 . 0 0 "[ . 1 . 2]" 1
261 1 15 GLU HA 1 19 GLY H . . 4.010 3.907 3.659 4.015 0.005 4 0 "[ . 1 . 2]" 1
262 1 15 GLU QB 1 16 TYR H . . 3.460 2.588 2.506 2.693 . 0 0 "[ . 1 . 2]" 1
263 1 15 GLU QB 1 20 ASN H . . 3.970 3.812 3.512 3.932 . 0 0 "[ . 1 . 2]" 1
264 1 15 GLU QB 1 21 CYS H . . 4.720 4.742 4.685 4.765 0.045 3 0 "[ . 1 . 2]" 1
265 1 15 GLU QB 1 21 CYS HA . . 4.660 3.827 3.588 4.011 . 0 0 "[ . 1 . 2]" 1
266 1 15 GLU QB 1 21 CYS HB2 . . 3.790 2.077 2.031 2.130 . 0 0 "[ . 1 . 2]" 1
267 1 15 GLU QB 1 21 CYS HB3 . . 4.870 3.348 3.221 3.516 . 0 0 "[ . 1 . 2]" 1
268 1 15 GLU QB 1 22 ASN H . . 5.750 5.543 5.367 5.753 0.003 14 0 "[ . 1 . 2]" 1
269 1 15 GLU QG 1 21 CYS HA . . 5.570 5.344 4.960 5.614 0.044 16 0 "[ . 1 . 2]" 1
270 1 16 TYR H 1 16 TYR HB2 . . 3.230 2.427 2.316 2.756 . 0 0 "[ . 1 . 2]" 1
271 1 16 TYR H 1 16 TYR HB3 . . 3.190 2.445 2.256 2.551 . 0 0 "[ . 1 . 2]" 1
272 1 16 TYR H 1 16 TYR QD . . 4.070 4.085 4.040 4.109 0.039 20 0 "[ . 1 . 2]" 1
273 1 16 TYR H 1 17 GLN H . . 3.600 2.793 2.708 2.851 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR H 1 17 GLN HB2 . . 4.980 5.102 4.878 5.335 0.355 20 0 "[ . 1 . 2]" 1
275 1 16 TYR H 1 18 ARG H . . 4.700 4.148 4.051 4.297 . 0 0 "[ . 1 . 2]" 1
276 1 16 TYR H 1 19 GLY H . . 5.680 4.812 4.767 4.927 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR H 1 21 CYS H . . 4.890 4.847 4.736 4.931 0.041 19 0 "[ . 1 . 2]" 1
278 1 16 TYR H 1 21 CYS HA . . 5.750 5.267 5.157 5.457 . 0 0 "[ . 1 . 2]" 1
279 1 16 TYR H 1 21 CYS HB2 . . 3.520 2.939 2.791 3.173 . 0 0 "[ . 1 . 2]" 1
280 1 16 TYR H 1 21 CYS HB3 . . 3.440 2.990 2.891 3.179 . 0 0 "[ . 1 . 2]" 1
281 1 16 TYR H 1 32 HIS HD2 . . 5.750 5.464 4.959 5.767 0.017 9 0 "[ . 1 . 2]" 1
282 1 16 TYR H 1 32 HIS HE1 . . 4.860 4.897 4.876 4.915 0.055 18 0 "[ . 1 . 2]" 1
283 1 16 TYR HA 1 16 TYR QD . . 3.910 2.873 2.737 3.138 . 0 0 "[ . 1 . 2]" 1
284 1 16 TYR HA 1 18 ARG H . . 4.270 4.317 4.259 4.393 0.123 15 0 "[ . 1 . 2]" 1
285 1 16 TYR HA 1 21 CYS H . . 3.620 3.019 2.903 3.232 . 0 0 "[ . 1 . 2]" 1
286 1 16 TYR HA 1 21 CYS HA . . 4.880 4.837 4.780 4.911 0.031 19 0 "[ . 1 . 2]" 1
287 1 16 TYR HA 1 21 CYS HB2 . . 4.370 3.592 3.493 3.714 . 0 0 "[ . 1 . 2]" 1
288 1 16 TYR HA 1 21 CYS HB3 . . 4.440 3.288 3.186 3.449 . 0 0 "[ . 1 . 2]" 1
289 1 16 TYR HB2 1 21 CYS H . . 4.220 3.725 3.112 3.928 . 0 0 "[ . 1 . 2]" 1
290 1 16 TYR HB2 1 21 CYS HA . . 5.570 4.971 4.617 5.063 . 0 0 "[ . 1 . 2]" 1
291 1 16 TYR HB2 1 21 CYS HB3 . . 4.670 2.154 2.056 2.297 . 0 0 "[ . 1 . 2]" 1
292 1 16 TYR HB2 1 32 HIS HD2 . . 5.750 4.124 3.531 4.872 . 0 0 "[ . 1 . 2]" 1
293 1 16 TYR HB3 1 17 GLN H . . 3.550 2.518 2.369 2.785 . 0 0 "[ . 1 . 2]" 1
294 1 16 TYR HB3 1 18 ARG H . . 5.410 4.914 4.756 5.137 . 0 0 "[ . 1 . 2]" 1
295 1 16 TYR HB3 1 32 HIS HD2 . . 5.750 4.238 3.647 4.662 . 0 0 "[ . 1 . 2]" 1
296 1 16 TYR QD 1 17 GLN H . . 3.850 3.259 2.790 3.456 . 0 0 "[ . 1 . 2]" 1
297 1 16 TYR QD 1 17 GLN HA . . 4.700 3.342 3.063 3.523 . 0 0 "[ . 1 . 2]" 1
298 1 16 TYR QD 1 18 ARG H . . 5.370 5.322 5.022 5.386 0.016 11 0 "[ . 1 . 2]" 1
299 1 16 TYR QD 1 21 CYS H . . 4.560 2.688 2.469 3.223 . 0 0 "[ . 1 . 2]" 1
300 1 16 TYR QD 1 21 CYS HB2 . . 5.410 4.486 4.192 5.166 . 0 0 "[ . 1 . 2]" 1
301 1 16 TYR QD 1 21 CYS HB3 . . 4.820 3.176 2.813 4.037 . 0 0 "[ . 1 . 2]" 1
302 1 16 TYR QD 1 33 PRO HD2 . . 4.290 2.665 2.339 3.139 . 0 0 "[ . 1 . 2]" 1
303 1 16 TYR QD 1 33 PRO HD3 . . 5.320 4.150 4.000 4.265 . 0 0 "[ . 1 . 2]" 1
304 1 16 TYR QD 1 33 PRO HG3 . . 5.750 4.632 4.245 5.460 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLN H 1 17 GLN HB2 . . 3.050 2.456 2.250 2.693 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLN H 1 17 GLN HB3 . . 3.810 2.404 2.144 2.669 . 0 0 "[ . 1 . 2]" 1
307 1 17 GLN H 1 17 GLN QG . . 4.000 3.972 3.849 4.010 0.010 5 0 "[ . 1 . 2]" 1
308 1 17 GLN H 1 18 ARG H . . 3.060 2.673 2.579 2.872 . 0 0 "[ . 1 . 2]" 1
309 1 17 GLN H 1 18 ARG QG . . 4.540 4.544 4.113 4.606 0.066 19 0 "[ . 1 . 2]" 1
310 1 17 GLN HA 1 17 GLN QG . . 3.890 2.611 2.322 3.299 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLN HA 1 18 ARG H . . 3.720 3.503 3.468 3.621 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLN HB2 1 18 ARG H . . 3.780 3.987 3.804 4.209 0.429 20 0 "[ . 1 . 2]" 1
313 1 18 ARG H 1 18 ARG HB2 . . 3.230 2.452 2.332 3.522 0.292 15 0 "[ . 1 . 2]" 1
314 1 18 ARG H 1 18 ARG HB3 . . 3.830 3.593 2.427 3.726 . 0 0 "[ . 1 . 2]" 1
315 1 18 ARG H 1 18 ARG QG . . 3.240 2.707 2.338 2.847 . 0 0 "[ . 1 . 2]" 1
316 1 18 ARG H 1 19 GLY H . . 4.220 2.468 2.358 2.631 . 0 0 "[ . 1 . 2]" 1
317 1 18 ARG HA 1 18 ARG QD . . 4.620 3.114 2.075 4.247 . 0 0 "[ . 1 . 2]" 1
318 1 18 ARG HA 1 18 ARG QG . . 3.940 2.636 2.208 3.355 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLY H 1 20 ASN H . . 4.170 2.875 2.669 3.119 . 0 0 "[ . 1 . 2]" 1
320 1 19 GLY H 1 20 ASN HA . . 5.230 4.152 4.050 4.293 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLY H 1 20 ASN QB . . 5.750 5.074 4.894 5.168 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLY H 1 20 ASN HD21 . . 5.750 5.268 4.881 5.479 . 0 0 "[ . 1 . 2]" 1
323 1 19 GLY QA 1 20 ASN H . . 3.410 2.391 2.314 2.506 . 0 0 "[ . 1 . 2]" 1
324 1 19 GLY HA2 1 20 ASN H . . 3.870 3.595 3.553 3.634 . 0 0 "[ . 1 . 2]" 1
325 1 19 GLY HA3 1 20 ASN H . . 3.870 2.427 2.345 2.555 . 0 0 "[ . 1 . 2]" 1
326 1 20 ASN H 1 20 ASN QB . . 3.640 3.071 2.759 3.312 . 0 0 "[ . 1 . 2]" 1
327 1 20 ASN H 1 21 CYS HA . . 4.960 5.013 4.971 5.041 0.081 15 0 "[ . 1 . 2]" 1
328 1 20 ASN H 1 21 CYS HB2 . . 4.650 4.666 4.619 4.709 0.059 19 0 "[ . 1 . 2]" 1
329 1 20 ASN HA 1 21 CYS H . . 3.380 2.221 2.134 2.279 . 0 0 "[ . 1 . 2]" 1
330 1 20 ASN QB 1 21 CYS H . . 4.740 2.699 2.445 3.066 . 0 0 "[ . 1 . 2]" 1
331 1 20 ASN QB 1 21 CYS HA . . 5.750 3.874 3.649 4.099 . 0 0 "[ . 1 . 2]" 1
332 1 20 ASN QB 1 22 ASN H . . 5.500 4.948 4.733 4.975 . 0 0 "[ . 1 . 2]" 1
333 1 21 CYS H 1 21 CYS HB2 . . 3.510 3.428 3.369 3.456 . 0 0 "[ . 1 . 2]" 1
334 1 21 CYS H 1 21 CYS HB3 . . 3.330 2.978 2.797 3.062 . 0 0 "[ . 1 . 2]" 1
335 1 21 CYS H 1 22 ASN H . . 5.600 3.924 2.090 4.096 . 0 0 "[ . 1 . 2]" 1
336 1 21 CYS HB2 1 32 HIS HE1 . . 4.960 3.622 3.579 3.666 . 0 0 "[ . 1 . 2]" 1
337 1 21 CYS HB3 1 23 ARG H . . 5.170 4.176 3.628 4.304 . 0 0 "[ . 1 . 2]" 1
338 1 21 CYS HB3 1 24 GLY H . . 5.320 4.646 4.525 4.844 . 0 0 "[ . 1 . 2]" 1
339 1 21 CYS HB3 1 32 HIS HE1 . . 4.210 2.178 2.114 2.250 . 0 0 "[ . 1 . 2]" 1
340 1 22 ASN H 1 23 ARG H . . 3.990 2.685 2.502 2.917 . 0 0 "[ . 1 . 2]" 1
341 1 22 ASN H 1 23 ARG QG . . 4.230 3.517 3.244 4.303 0.073 19 0 "[ . 1 . 2]" 1
342 1 22 ASN HA 1 23 ARG H . . 3.550 3.205 3.081 3.279 . 0 0 "[ . 1 . 2]" 1
343 1 22 ASN QB 1 23 ARG H . . 4.330 3.857 3.651 4.099 . 0 0 "[ . 1 . 2]" 1
344 1 23 ARG H 1 23 ARG QB . . 2.870 2.405 2.307 2.542 . 0 0 "[ . 1 . 2]" 1
345 1 23 ARG H 1 23 ARG QD . . 4.760 4.134 3.885 4.463 . 0 0 "[ . 1 . 2]" 1
346 1 23 ARG H 1 23 ARG QG . . 3.630 2.703 2.213 2.899 . 0 0 "[ . 1 . 2]" 1
347 1 23 ARG H 1 24 GLY H . . 3.280 2.345 2.322 2.397 . 0 0 "[ . 1 . 2]" 1
348 1 23 ARG H 1 24 GLY HA2 . . 5.090 4.875 4.834 4.908 . 0 0 "[ . 1 . 2]" 1
349 1 23 ARG H 1 24 GLY HA3 . . 4.690 4.646 4.619 4.674 . 0 0 "[ . 1 . 2]" 1
350 1 23 ARG H 1 28 CYS H . . 5.420 5.056 4.967 5.182 . 0 0 "[ . 1 . 2]" 1
351 1 23 ARG H 1 28 CYS QB . . 4.240 3.593 3.482 3.744 . 0 0 "[ . 1 . 2]" 1
352 1 23 ARG H 1 32 HIS HE1 . . 4.320 2.510 2.023 2.702 . 0 0 "[ . 1 . 2]" 1
353 1 23 ARG HA 1 23 ARG QD . . 4.510 3.944 2.247 4.266 . 0 0 "[ . 1 . 2]" 1
354 1 23 ARG HA 1 24 GLY H . . 3.650 3.442 3.401 3.481 . 0 0 "[ . 1 . 2]" 1
355 1 23 ARG HA 1 25 GLU QG . . 3.890 2.975 2.905 3.092 . 0 0 "[ . 1 . 2]" 1
356 1 23 ARG HA 1 27 ASP HB2 . . 3.890 3.296 3.064 3.600 . 0 0 "[ . 1 . 2]" 1
357 1 23 ARG QB 1 23 ARG QD . . 3.290 2.208 2.128 2.404 . 0 0 "[ . 1 . 2]" 1
358 1 23 ARG QB 1 24 GLY H . . 3.710 3.050 2.825 3.182 . 0 0 "[ . 1 . 2]" 1
359 1 23 ARG QB 1 25 GLU QG . . 4.330 4.378 4.363 4.388 0.058 19 0 "[ . 1 . 2]" 1
360 1 23 ARG QB 1 26 ASN H . . 5.020 4.396 4.301 4.498 . 0 0 "[ . 1 . 2]" 1
361 1 23 ARG QB 1 27 ASP HB2 . . 4.330 2.240 2.178 2.424 . 0 0 "[ . 1 . 2]" 1
362 1 23 ARG QB 1 27 ASP HB3 . . 4.360 3.167 2.817 3.399 . 0 0 "[ . 1 . 2]" 1
363 1 23 ARG QB 1 28 CYS H . . 3.600 2.565 2.437 2.757 . 0 0 "[ . 1 . 2]" 1
364 1 23 ARG QB 1 28 CYS HA . . 4.120 3.073 2.959 3.218 . 0 0 "[ . 1 . 2]" 1
365 1 23 ARG QB 1 29 ARG H . . 5.550 4.872 4.713 4.988 . 0 0 "[ . 1 . 2]" 1
366 1 23 ARG QB 1 30 PHE H . . 5.750 5.763 5.679 5.785 0.035 9 0 "[ . 1 . 2]" 1
367 1 23 ARG QD 1 24 GLY H . . 5.750 5.305 5.092 5.604 . 0 0 "[ . 1 . 2]" 1
368 1 23 ARG QD 1 27 ASP H . . 5.740 5.303 4.151 5.786 0.046 19 0 "[ . 1 . 2]" 1
369 1 23 ARG QD 1 28 CYS H . . 5.100 4.512 4.129 5.104 0.004 8 0 "[ . 1 . 2]" 1
370 1 23 ARG QD 1 28 CYS HA . . 4.430 3.836 3.670 4.462 0.032 7 0 "[ . 1 . 2]" 1
371 1 24 GLY H 1 25 GLU H . . 3.760 2.934 2.901 2.987 . 0 0 "[ . 1 . 2]" 1
372 1 24 GLY H 1 25 GLU HA . . 5.670 5.558 5.523 5.593 . 0 0 "[ . 1 . 2]" 1
373 1 24 GLY H 1 27 ASP H . . 5.700 4.861 4.796 5.093 . 0 0 "[ . 1 . 2]" 1
374 1 24 GLY H 1 27 ASP HB2 . . 5.500 5.555 5.512 5.588 0.088 19 0 "[ . 1 . 2]" 1
375 1 24 GLY H 1 28 CYS H . . 5.240 3.954 3.853 4.141 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLY H 1 28 CYS QB . . 4.450 2.667 2.606 2.759 . 0 0 "[ . 1 . 2]" 1
377 1 24 GLY H 1 32 HIS HE1 . . 4.090 2.508 2.314 2.716 . 0 0 "[ . 1 . 2]" 1
378 1 24 GLY HA2 1 25 GLU H . . 3.890 3.431 3.418 3.446 . 0 0 "[ . 1 . 2]" 1
379 1 24 GLY HA2 1 26 ASN H . . 4.180 3.927 3.875 3.957 . 0 0 "[ . 1 . 2]" 1
380 1 24 GLY HA2 1 27 ASP H . . 5.170 3.974 3.790 4.372 . 0 0 "[ . 1 . 2]" 1
381 1 24 GLY HA3 1 25 GLU H . . 3.390 2.942 2.894 2.984 . 0 0 "[ . 1 . 2]" 1
382 1 24 GLY HA3 1 26 ASN H . . 4.660 4.629 4.572 4.657 . 0 0 "[ . 1 . 2]" 1
383 1 25 GLU H 1 25 GLU QB . . 3.230 2.635 2.567 2.693 . 0 0 "[ . 1 . 2]" 1
384 1 25 GLU H 1 25 GLU QG . . 3.740 1.776 1.728 1.826 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLU H 1 26 ASN H . . 3.660 2.821 2.769 2.891 . 0 0 "[ . 1 . 2]" 1
386 1 25 GLU H 1 27 ASP H . . 5.000 4.098 4.040 4.171 . 0 0 "[ . 1 . 2]" 1
387 1 25 GLU H 1 28 CYS H . . 5.370 4.532 4.501 4.576 . 0 0 "[ . 1 . 2]" 1
388 1 25 GLU H 1 28 CYS QB . . 4.730 4.432 4.410 4.463 . 0 0 "[ . 1 . 2]" 1
389 1 25 GLU H 1 32 HIS HB2 . . 5.660 4.352 4.225 4.521 . 0 0 "[ . 1 . 2]" 1
390 1 25 GLU HA 1 26 ASN HB2 . . 5.070 4.845 4.632 6.061 0.991 20 2 "[ . - . +]" 1
391 1 25 GLU HA 1 27 ASP H . . 5.200 5.249 5.231 5.283 0.083 10 0 "[ . 1 . 2]" 1
392 1 25 GLU HA 1 32 HIS HB2 . . 5.510 4.868 4.663 5.020 . 0 0 "[ . 1 . 2]" 1
393 1 25 GLU HA 1 68 PRO HG2 . . 5.570 5.037 3.476 6.261 0.691 4 1 "[ +. 1 . 2]" 1
394 1 25 GLU HA 1 68 PRO HG3 . . 5.010 3.640 2.425 4.603 . 0 0 "[ . 1 . 2]" 1
395 1 25 GLU QB 1 26 ASN H . . 3.970 3.551 3.481 3.645 . 0 0 "[ . 1 . 2]" 1
396 1 25 GLU QB 1 32 HIS HB2 . . 5.750 5.222 4.970 5.419 . 0 0 "[ . 1 . 2]" 1
397 1 25 GLU QG 1 26 ASN H . . 3.780 2.412 2.365 2.504 . 0 0 "[ . 1 . 2]" 1
398 1 25 GLU QG 1 32 HIS HB2 . . 5.750 5.500 5.429 5.573 . 0 0 "[ . 1 . 2]" 1
399 1 26 ASN H 1 26 ASN HB2 . . 3.610 3.379 3.107 4.112 0.502 10 1 "[ . + . 2]" 1
400 1 26 ASN H 1 26 ASN HB3 . . 4.350 3.103 2.913 3.545 . 0 0 "[ . 1 . 2]" 1
401 1 26 ASN H 1 26 ASN QD . . 5.580 4.570 2.805 4.752 . 0 0 "[ . 1 . 2]" 1
402 1 26 ASN H 1 27 ASP H . . 3.290 1.821 1.786 1.869 . 0 0 "[ . 1 . 2]" 1
403 1 26 ASN H 1 27 ASP HB2 . . 4.720 3.989 3.886 4.084 . 0 0 "[ . 1 . 2]" 1
404 1 26 ASN H 1 28 CYS H . . 3.920 3.429 3.309 3.483 . 0 0 "[ . 1 . 2]" 1
405 1 26 ASN HB3 1 27 ASP H . . 4.070 3.448 3.222 4.139 0.069 20 0 "[ . 1 . 2]" 1
406 1 27 ASP H 1 27 ASP HB2 . . 3.460 2.510 2.380 2.590 . 0 0 "[ . 1 . 2]" 1
407 1 27 ASP H 1 27 ASP HB3 . . 3.920 3.725 3.615 3.773 . 0 0 "[ . 1 . 2]" 1
408 1 27 ASP H 1 28 CYS H . . 2.910 2.198 2.118 2.416 . 0 0 "[ . 1 . 2]" 1
409 1 27 ASP HA 1 28 CYS H . . 3.770 3.573 3.492 3.610 . 0 0 "[ . 1 . 2]" 1
410 1 27 ASP HB2 1 28 CYS H . . 3.750 3.067 2.911 3.323 . 0 0 "[ . 1 . 2]" 1
411 1 28 CYS H 1 28 CYS QB . . 2.820 2.173 2.132 2.232 . 0 0 "[ . 1 . 2]" 1
412 1 28 CYS H 1 29 ARG H . . 4.810 4.636 4.617 4.652 . 0 0 "[ . 1 . 2]" 1
413 1 28 CYS H 1 30 PHE H . . 5.130 5.085 4.914 5.149 0.019 6 0 "[ . 1 . 2]" 1
414 1 28 CYS HA 1 29 ARG H . . 2.760 2.242 2.207 2.291 . 0 0 "[ . 1 . 2]" 1
415 1 28 CYS HA 1 29 ARG QB . . 5.260 4.453 4.207 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 28 CYS HA 1 29 ARG QG . . 4.800 3.852 3.547 4.818 0.018 19 0 "[ . 1 . 2]" 1
417 1 28 CYS QB 1 29 ARG H . . 3.850 3.310 3.235 3.368 . 0 0 "[ . 1 . 2]" 1
418 1 28 CYS QB 1 30 PHE H . . 3.730 2.750 2.650 2.820 . 0 0 "[ . 1 . 2]" 1
419 1 29 ARG H 1 29 ARG QB . . 3.180 2.563 2.411 2.707 . 0 0 "[ . 1 . 2]" 1
420 1 29 ARG H 1 29 ARG QD . . 4.190 3.586 1.801 4.071 . 0 0 "[ . 1 . 2]" 1
421 1 29 ARG H 1 29 ARG HG2 . . 3.850 2.646 2.090 3.614 . 0 0 "[ . 1 . 2]" 1
422 1 29 ARG H 1 29 ARG QG . . 3.290 2.262 2.057 2.829 . 0 0 "[ . 1 . 2]" 1
423 1 29 ARG H 1 29 ARG HG3 . . 3.850 3.167 2.359 3.892 0.042 19 0 "[ . 1 . 2]" 1
424 1 29 ARG H 1 30 PHE H . . 3.290 2.602 2.544 2.652 . 0 0 "[ . 1 . 2]" 1
425 1 29 ARG H 1 30 PHE HA . . 5.470 5.342 5.291 5.399 . 0 0 "[ . 1 . 2]" 1
426 1 29 ARG H 1 30 PHE QD . . 4.600 4.404 4.044 4.618 0.018 19 0 "[ . 1 . 2]" 1
427 1 29 ARG H 1 71 LEU QD . . 5.750 5.103 4.718 5.448 . 0 0 "[ . 1 . 2]" 1
428 1 29 ARG HA 1 29 ARG QD . . 5.030 3.699 2.214 4.614 . 0 0 "[ . 1 . 2]" 1
429 1 29 ARG HA 1 29 ARG QG . . 3.950 3.031 2.409 3.483 . 0 0 "[ . 1 . 2]" 1
430 1 29 ARG HA 1 30 PHE H . . 3.670 3.320 3.256 3.395 . 0 0 "[ . 1 . 2]" 1
431 1 29 ARG HA 1 71 LEU QD . . 4.290 3.977 3.552 4.302 0.012 8 0 "[ . 1 . 2]" 1
432 1 29 ARG QB 1 30 PHE H . . 4.170 3.484 3.100 3.878 . 0 0 "[ . 1 . 2]" 1
433 1 29 ARG QG 1 30 PHE H . . 4.330 3.828 3.024 4.359 0.029 5 0 "[ . 1 . 2]" 1
434 1 29 ARG HG2 1 30 PHE H . . 4.930 4.315 3.072 5.237 0.307 3 0 "[ . 1 . 2]" 1
435 1 29 ARG HG3 1 30 PHE H . . 4.930 4.466 3.260 5.583 0.653 6 6 "[* **+- * . 2]" 1
436 1 30 PHE H 1 30 PHE HB2 . . 3.320 2.657 2.588 2.729 . 0 0 "[ . 1 . 2]" 1
437 1 30 PHE H 1 30 PHE HB3 . . 4.010 3.806 3.759 3.840 . 0 0 "[ . 1 . 2]" 1
438 1 30 PHE H 1 30 PHE QD . . 3.700 3.526 3.354 3.691 . 0 0 "[ . 1 . 2]" 1
439 1 30 PHE H 1 32 HIS HD2 . . 5.330 4.738 4.581 5.073 . 0 0 "[ . 1 . 2]" 1
440 1 30 PHE H 1 71 LEU QD . . 4.550 3.692 3.348 4.088 . 0 0 "[ . 1 . 2]" 1
441 1 30 PHE HA 1 30 PHE QD . . 3.930 2.420 2.298 2.596 . 0 0 "[ . 1 . 2]" 1
442 1 30 PHE HA 1 31 ALA H . . 3.240 2.546 2.509 2.580 . 0 0 "[ . 1 . 2]" 1
443 1 30 PHE HA 1 71 LEU QD . . 5.060 2.593 2.332 2.984 . 0 0 "[ . 1 . 2]" 1
444 1 30 PHE HA 1 71 LEU HG . . 5.220 4.419 4.095 4.940 . 0 0 "[ . 1 . 2]" 1
445 1 30 PHE HB2 1 31 ALA H . . 3.750 3.402 3.357 3.455 . 0 0 "[ . 1 . 2]" 1
446 1 30 PHE HB2 1 32 HIS HD2 . . 5.140 3.894 3.741 4.007 . 0 0 "[ . 1 . 2]" 1
447 1 30 PHE HB2 1 71 LEU QD . . 5.520 4.667 4.463 5.116 . 0 0 "[ . 1 . 2]" 1
448 1 30 PHE HB3 1 31 ALA H . . 3.470 2.246 2.194 2.322 . 0 0 "[ . 1 . 2]" 1
449 1 30 PHE HB3 1 32 HIS HD2 . . 5.410 4.542 4.394 4.679 . 0 0 "[ . 1 . 2]" 1
450 1 30 PHE QD 1 31 ALA H . . 4.300 3.779 3.627 3.921 . 0 0 "[ . 1 . 2]" 1
451 1 31 ALA H 1 31 ALA MB . . 3.350 2.253 2.232 2.282 . 0 0 "[ . 1 . 2]" 1
452 1 31 ALA H 1 32 HIS H . . 5.000 4.620 4.596 4.640 . 0 0 "[ . 1 . 2]" 1
453 1 31 ALA H 1 71 LEU QD . . 3.740 3.328 3.152 3.741 0.001 4 0 "[ . 1 . 2]" 1
454 1 31 ALA H 1 71 LEU HG . . 4.920 3.965 3.721 4.676 . 0 0 "[ . 1 . 2]" 1
455 1 31 ALA HA 1 32 HIS H . . 3.710 2.260 2.213 2.292 . 0 0 "[ . 1 . 2]" 1
456 1 31 ALA HA 1 32 HIS HD2 . . 5.370 3.634 3.427 3.826 . 0 0 "[ . 1 . 2]" 1
457 1 31 ALA HA 1 65 PHE QE . . 4.980 4.455 4.127 4.863 . 0 0 "[ . 1 . 2]" 1
458 1 31 ALA HA 1 71 LEU HG . . 3.870 2.517 2.278 3.216 . 0 0 "[ . 1 . 2]" 1
459 1 31 ALA MB 1 32 HIS H . . 4.520 2.756 2.630 2.820 . 0 0 "[ . 1 . 2]" 1
460 1 31 ALA MB 1 65 PHE QE . . 4.660 2.285 2.165 2.441 . 0 0 "[ . 1 . 2]" 1
461 1 31 ALA MB 1 71 LEU HB3 . . 4.970 3.196 2.968 3.810 . 0 0 "[ . 1 . 2]" 1
462 1 32 HIS H 1 32 HIS HB2 . . 3.770 2.499 2.442 2.527 . 0 0 "[ . 1 . 2]" 1
463 1 32 HIS H 1 32 HIS HB3 . . 4.130 3.676 3.632 3.703 . 0 0 "[ . 1 . 2]" 1
464 1 32 HIS H 1 32 HIS HD2 . . 4.850 3.360 3.253 3.475 . 0 0 "[ . 1 . 2]" 1
465 1 32 HIS H 1 33 PRO HD2 . . 5.410 4.733 4.663 4.972 . 0 0 "[ . 1 . 2]" 1
466 1 32 HIS H 1 33 PRO HD3 . . 5.220 3.967 3.843 4.056 . 0 0 "[ . 1 . 2]" 1
467 1 32 HIS H 1 65 PHE QE . . 5.260 4.279 3.996 4.564 . 0 0 "[ . 1 . 2]" 1
468 1 32 HIS H 1 71 LEU HG . . 5.780 4.447 4.116 5.051 . 0 0 "[ . 1 . 2]" 1
469 1 32 HIS HA 1 32 HIS HD2 . . 4.470 2.835 2.540 2.965 . 0 0 "[ . 1 . 2]" 1
470 1 32 HIS HA 1 33 PRO HD2 . . 3.980 2.198 2.106 2.456 . 0 0 "[ . 1 . 2]" 1
471 1 33 PRO HA 1 34 ALA MB . . 5.270 4.039 3.959 4.129 . 0 0 "[ . 1 . 2]" 1
472 1 33 PRO HA 1 46 VAL MG1 . . 5.470 4.462 3.570 4.900 . 0 0 "[ . 1 . 2]" 1
473 1 33 PRO HB2 1 34 ALA HA . . 5.150 4.801 4.604 4.890 . 0 0 "[ . 1 . 2]" 1
474 1 33 PRO HB3 1 46 VAL MG1 . . 4.690 2.492 2.238 2.929 . 0 0 "[ . 1 . 2]" 1
475 1 33 PRO HG2 1 39 ILE MD . . 4.330 2.299 2.210 2.481 . 0 0 "[ . 1 . 2]" 1
476 1 33 PRO HG2 1 46 VAL MG1 . . 4.370 3.388 2.652 3.576 . 0 0 "[ . 1 . 2]" 1
477 1 33 PRO HG2 1 46 VAL MG2 . . 5.260 4.494 3.629 4.810 . 0 0 "[ . 1 . 2]" 1
478 1 33 PRO HG3 1 39 ILE HB . . 5.850 5.454 5.287 6.525 0.675 2 1 "[ + . 1 . 2]" 1
479 1 33 PRO HG3 1 39 ILE MD . . 4.540 3.022 2.777 3.945 . 0 0 "[ . 1 . 2]" 1
480 1 33 PRO HG3 1 46 VAL HB . . 5.220 4.723 4.196 4.853 . 0 0 "[ . 1 . 2]" 1
481 1 33 PRO HG3 1 46 VAL MG1 . . 4.030 2.323 2.190 2.459 . 0 0 "[ . 1 . 2]" 1
482 1 33 PRO HG3 1 46 VAL MG2 . . 5.210 3.158 2.326 3.457 . 0 0 "[ . 1 . 2]" 1
483 1 35 ASP QB 1 65 PHE QD . . 4.940 4.130 2.879 4.418 . 0 0 "[ . 1 . 2]" 1
484 1 36 SER H 1 36 SER QB . . 3.720 2.505 2.223 2.801 . 0 0 "[ . 1 . 2]" 1
485 1 39 ILE HA 1 39 ILE MD . . 4.010 3.993 3.974 4.026 0.016 6 0 "[ . 1 . 2]" 1
486 1 39 ILE HA 1 40 ASP H . . 3.150 2.152 2.109 2.261 . 0 0 "[ . 1 . 2]" 1
487 1 39 ILE HA 1 46 VAL HA . . 4.970 3.218 2.904 3.725 . 0 0 "[ . 1 . 2]" 1
488 1 39 ILE HA 1 46 VAL MG1 . . 4.430 2.217 2.148 2.276 . 0 0 "[ . 1 . 2]" 1
489 1 39 ILE HB 1 40 ASP H . . 4.790 4.121 3.922 4.201 . 0 0 "[ . 1 . 2]" 1
490 1 39 ILE HB 1 41 THR MG . . 5.750 4.100 3.695 4.338 . 0 0 "[ . 1 . 2]" 1
491 1 39 ILE MD 1 39 ILE MG . . 3.270 2.138 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
492 1 39 ILE MD 1 40 ASP H . . 5.440 5.262 5.089 5.327 . 0 0 "[ . 1 . 2]" 1
493 1 39 ILE MG 1 40 ASP H . . 3.350 2.637 2.390 2.759 . 0 0 "[ . 1 . 2]" 1
494 1 39 ILE MG 1 41 THR HA . . 4.230 3.514 3.224 3.705 . 0 0 "[ . 1 . 2]" 1
495 1 39 ILE MG 1 41 THR MG . . 4.320 3.654 3.376 3.960 . 0 0 "[ . 1 . 2]" 1
496 1 39 ILE MG 1 42 ASN H . . 5.590 5.319 5.001 5.435 . 0 0 "[ . 1 . 2]" 1
497 1 39 ILE MG 1 43 ASP H . . 4.950 4.974 4.953 5.003 0.053 15 0 "[ . 1 . 2]" 1
498 1 39 ILE MG 1 44 ASN H . . 3.970 3.937 3.864 3.995 0.025 2 0 "[ . 1 . 2]" 1
499 1 39 ILE MG 1 44 ASN HA . . 3.650 2.668 2.391 2.885 . 0 0 "[ . 1 . 2]" 1
500 1 39 ILE MG 1 44 ASN HB2 . . 5.180 4.262 3.453 4.958 . 0 0 "[ . 1 . 2]" 1
501 1 39 ILE MG 1 44 ASN HB3 . . 5.180 4.555 3.431 5.242 0.062 5 0 "[ . 1 . 2]" 1
502 1 39 ILE MG 1 45 THR H . . 3.650 3.016 2.634 3.304 . 0 0 "[ . 1 . 2]" 1
503 1 40 ASP H 1 40 ASP HB2 . . 3.780 2.716 2.378 2.923 . 0 0 "[ . 1 . 2]" 1
504 1 40 ASP H 1 40 ASP HB3 . . 3.340 2.520 2.345 3.633 0.293 14 0 "[ . 1 . 2]" 1
505 1 40 ASP H 1 41 THR H . . 5.070 4.338 4.296 4.426 . 0 0 "[ . 1 . 2]" 1
506 1 40 ASP H 1 41 THR MG . . 5.640 5.206 4.972 5.290 . 0 0 "[ . 1 . 2]" 1
507 1 40 ASP H 1 43 ASP H . . 5.390 5.167 4.996 5.367 . 0 0 "[ . 1 . 2]" 1
508 1 40 ASP H 1 45 THR H . . 3.860 2.977 2.571 3.197 . 0 0 "[ . 1 . 2]" 1
509 1 40 ASP H 1 46 VAL MG1 . . 4.250 3.656 3.461 3.762 . 0 0 "[ . 1 . 2]" 1
510 1 40 ASP HA 1 41 THR H . . 3.300 2.033 2.017 2.186 . 0 0 "[ . 1 . 2]" 1
511 1 40 ASP HA 1 41 THR MG . . 5.100 3.751 3.573 3.831 . 0 0 "[ . 1 . 2]" 1
512 1 40 ASP HA 1 42 ASN H . . 4.230 3.668 3.612 3.743 . 0 0 "[ . 1 . 2]" 1
513 1 40 ASP HA 1 45 THR H . . 5.160 4.975 4.720 5.167 0.007 20 0 "[ . 1 . 2]" 1
514 1 40 ASP HB2 1 41 THR H . . 4.080 4.249 4.142 4.488 0.408 14 0 "[ . 1 . 2]" 1
515 1 40 ASP HB2 1 43 ASP H . . 4.590 4.915 3.841 5.330 0.740 8 4 "[ * . + 1- . * 2]" 1
516 1 40 ASP HB2 1 45 THR H . . 4.340 4.393 3.061 4.665 0.325 10 0 "[ . 1 . 2]" 1
517 1 40 ASP HB3 1 42 ASN H . . 4.490 4.061 3.046 4.382 . 0 0 "[ . 1 . 2]" 1
518 1 40 ASP HB3 1 43 ASP H . . 4.440 3.560 3.279 3.924 . 0 0 "[ . 1 . 2]" 1
519 1 40 ASP HB3 1 45 THR H . . 3.510 2.990 2.389 4.402 0.892 14 1 "[ . 1 +. 2]" 1
520 1 41 THR H 1 41 THR HB . . 3.890 3.656 3.603 3.674 . 0 0 "[ . 1 . 2]" 1
521 1 41 THR H 1 41 THR MG . . 3.180 2.342 2.223 2.396 . 0 0 "[ . 1 . 2]" 1
522 1 41 THR H 1 42 ASN H . . 3.280 2.656 2.616 2.741 . 0 0 "[ . 1 . 2]" 1
523 1 41 THR H 1 42 ASN HB2 . . 5.190 4.848 4.603 5.297 0.107 19 0 "[ . 1 . 2]" 1
524 1 41 THR HA 1 41 THR HB . . 3.100 2.506 2.482 2.514 . 0 0 "[ . 1 . 2]" 1
525 1 41 THR HA 1 41 THR MG . . 3.230 2.338 2.323 2.362 . 0 0 "[ . 1 . 2]" 1
526 1 41 THR HA 1 42 ASN H . . 3.800 3.418 3.356 3.439 . 0 0 "[ . 1 . 2]" 1
527 1 41 THR HA 1 42 ASN HA . . 5.180 4.801 4.664 4.842 . 0 0 "[ . 1 . 2]" 1
528 1 41 THR HB 1 42 ASN H . . 4.850 4.003 3.959 4.148 . 0 0 "[ . 1 . 2]" 1
529 1 41 THR MG 1 42 ASN H . . 4.560 4.167 4.122 4.215 . 0 0 "[ . 1 . 2]" 1
530 1 41 THR MG 1 43 ASP H . . 5.750 5.411 5.353 5.504 . 0 0 "[ . 1 . 2]" 1
531 1 41 THR MG 1 44 ASN H . . 5.530 5.203 5.038 5.574 0.044 9 0 "[ . 1 . 2]" 1
532 1 42 ASN H 1 42 ASN HB2 . . 3.090 2.463 2.360 2.971 . 0 0 "[ . 1 . 2]" 1
533 1 42 ASN H 1 42 ASN HB3 . . 3.760 3.434 2.034 3.603 . 0 0 "[ . 1 . 2]" 1
534 1 42 ASN H 1 42 ASN HD21 . . 4.000 2.586 2.372 3.660 . 0 0 "[ . 1 . 2]" 1
535 1 42 ASN H 1 42 ASN HD22 . . 4.580 3.833 3.570 5.163 0.583 15 2 "[ . 1 + -2]" 1
536 1 42 ASN H 1 43 ASP H . . 3.140 2.555 2.061 2.680 . 0 0 "[ . 1 . 2]" 1
537 1 42 ASN H 1 43 ASP QB . . 5.470 4.481 4.123 5.096 . 0 0 "[ . 1 . 2]" 1
538 1 42 ASN H 1 44 ASN H . . 4.270 3.895 3.569 3.991 . 0 0 "[ . 1 . 2]" 1
539 1 42 ASN H 1 45 THR H . . 5.460 5.472 5.259 5.523 0.063 19 0 "[ . 1 . 2]" 1
540 1 42 ASN HB2 1 43 ASP H . . 3.430 3.280 3.066 4.307 0.877 15 2 "[ . 1 + -2]" 1
541 1 42 ASN HB3 1 43 ASP H . . 3.930 3.941 3.174 4.101 0.171 5 0 "[ . 1 . 2]" 1
542 1 42 ASN HD21 1 43 ASP H . . 5.250 4.436 3.080 4.868 . 0 0 "[ . 1 . 2]" 1
543 1 43 ASP H 1 43 ASP QB . . 3.580 2.663 2.505 3.232 . 0 0 "[ . 1 . 2]" 1
544 1 43 ASP H 1 44 ASN H . . 2.930 1.950 1.815 2.140 . 0 0 "[ . 1 . 2]" 1
545 1 43 ASP H 1 44 ASN HA . . 4.170 4.070 3.929 4.186 0.016 9 0 "[ . 1 . 2]" 1
546 1 43 ASP H 1 45 THR MG . . 5.090 4.989 4.449 5.117 0.027 5 0 "[ . 1 . 2]" 1
547 1 43 ASP QB 1 44 ASN H . . 4.630 3.463 3.205 3.974 . 0 0 "[ . 1 . 2]" 1
548 1 43 ASP QB 1 45 THR H . . 5.140 3.668 3.102 4.727 . 0 0 "[ . 1 . 2]" 1
549 1 44 ASN H 1 44 ASN HA . . 2.900 2.233 2.204 2.252 . 0 0 "[ . 1 . 2]" 1
550 1 44 ASN H 1 44 ASN HB2 . . 4.300 3.471 3.005 3.995 . 0 0 "[ . 1 . 2]" 1
551 1 44 ASN H 1 44 ASN QB . . 3.760 2.942 2.816 3.408 . 0 0 "[ . 1 . 2]" 1
552 1 44 ASN H 1 44 ASN HB3 . . 4.300 3.396 2.888 4.086 . 0 0 "[ . 1 . 2]" 1
553 1 44 ASN H 1 45 THR H . . 3.570 2.894 2.620 3.234 . 0 0 "[ . 1 . 2]" 1
554 1 44 ASN H 1 45 THR MG . . 4.870 4.422 4.095 4.589 . 0 0 "[ . 1 . 2]" 1
555 1 44 ASN HA 1 45 THR H . . 3.210 2.539 2.355 2.764 . 0 0 "[ . 1 . 2]" 1
556 1 44 ASN QB 1 45 THR H . . 4.740 4.009 3.942 4.069 . 0 0 "[ . 1 . 2]" 1
557 1 45 THR H 1 45 THR HB . . 4.350 3.879 3.799 3.984 . 0 0 "[ . 1 . 2]" 1
558 1 45 THR H 1 45 THR MG . . 3.670 3.187 3.071 3.310 . 0 0 "[ . 1 . 2]" 1
559 1 45 THR H 1 46 VAL H . . 4.930 4.489 4.466 4.500 . 0 0 "[ . 1 . 2]" 1
560 1 45 THR HA 1 45 THR MG . . 3.280 2.408 2.345 2.492 . 0 0 "[ . 1 . 2]" 1
561 1 45 THR HA 1 46 VAL H . . 3.030 2.330 2.282 2.409 . 0 0 "[ . 1 . 2]" 1
562 1 45 THR HA 1 46 VAL MG2 . . 5.440 3.504 3.374 3.576 . 0 0 "[ . 1 . 2]" 1
563 1 45 THR HB 1 46 VAL H . . 3.060 2.339 2.239 2.521 . 0 0 "[ . 1 . 2]" 1
564 1 45 THR MG 1 46 VAL H . . 4.090 3.533 3.418 3.740 . 0 0 "[ . 1 . 2]" 1
565 1 46 VAL H 1 46 VAL MG1 . . 3.820 3.230 3.116 3.368 . 0 0 "[ . 1 . 2]" 1
566 1 46 VAL H 1 46 VAL MG2 . . 3.240 2.299 2.212 2.428 . 0 0 "[ . 1 . 2]" 1
567 1 46 VAL H 1 47 THR H . . 4.850 4.427 4.386 4.494 . 0 0 "[ . 1 . 2]" 1
568 1 46 VAL HA 1 46 VAL MG1 . . 3.560 2.281 2.243 2.329 . 0 0 "[ . 1 . 2]" 1
569 1 46 VAL HA 1 47 THR H . . 3.380 2.225 2.163 2.315 . 0 0 "[ . 1 . 2]" 1
570 1 46 VAL HB 1 47 THR H . . 3.640 2.958 2.637 3.183 . 0 0 "[ . 1 . 2]" 1
571 1 46 VAL HB 1 65 PHE HB2 . . 4.490 2.829 2.501 3.299 . 0 0 "[ . 1 . 2]" 1
572 1 46 VAL HB 1 65 PHE HB3 . . 4.830 3.450 3.066 3.989 . 0 0 "[ . 1 . 2]" 1
573 1 46 VAL MG1 1 47 THR H . . 4.340 3.654 3.499 3.734 . 0 0 "[ . 1 . 2]" 1
574 1 46 VAL MG1 1 65 PHE HB2 . . 5.220 3.762 3.512 4.223 . 0 0 "[ . 1 . 2]" 1
575 1 46 VAL MG1 1 65 PHE HB3 . . 5.740 4.650 4.386 5.093 . 0 0 "[ . 1 . 2]" 1
576 1 46 VAL MG2 1 47 THR H . . 4.290 4.042 3.780 4.190 . 0 0 "[ . 1 . 2]" 1
577 1 46 VAL MG2 1 47 THR HB . . 5.750 5.715 5.353 5.906 0.156 6 0 "[ . 1 . 2]" 1
578 1 46 VAL MG2 1 48 VAL H . . 5.560 5.023 4.888 5.116 . 0 0 "[ . 1 . 2]" 1
579 1 46 VAL MG2 1 48 VAL HA . . 5.750 4.544 4.337 4.688 . 0 0 "[ . 1 . 2]" 1
580 1 46 VAL MG2 1 48 VAL MG2 . . 3.950 3.106 2.959 3.282 . 0 0 "[ . 1 . 2]" 1
581 1 46 VAL MG2 1 65 PHE HA . . 5.380 4.996 4.705 5.190 . 0 0 "[ . 1 . 2]" 1
582 1 46 VAL MG2 1 65 PHE HB2 . . 4.260 3.079 2.729 3.370 . 0 0 "[ . 1 . 2]" 1
583 1 46 VAL MG2 1 65 PHE HB3 . . 4.310 3.066 2.821 3.217 . 0 0 "[ . 1 . 2]" 1
584 1 47 THR H 1 47 THR HB . . 3.450 2.611 2.523 2.662 . 0 0 "[ . 1 . 2]" 1
585 1 47 THR H 1 47 THR MG . . 4.350 3.806 3.776 3.855 . 0 0 "[ . 1 . 2]" 1
586 1 47 THR H 1 64 TYR QD . . 5.100 4.562 4.219 4.869 . 0 0 "[ . 1 . 2]" 1
587 1 47 THR H 1 65 PHE HB2 . . 5.750 4.847 4.571 5.285 . 0 0 "[ . 1 . 2]" 1
588 1 47 THR H 1 65 PHE HB3 . . 5.610 4.996 4.804 5.376 . 0 0 "[ . 1 . 2]" 1
589 1 47 THR HA 1 47 THR MG . . 3.600 2.314 2.279 2.374 . 0 0 "[ . 1 . 2]" 1
590 1 47 THR HA 1 48 VAL H . . 3.490 2.162 2.116 2.227 . 0 0 "[ . 1 . 2]" 1
591 1 47 THR HB 1 64 TYR HA . . 4.900 3.544 3.339 4.084 . 0 0 "[ . 1 . 2]" 1
592 1 47 THR HB 1 64 TYR QD . . 3.610 2.320 2.229 2.428 . 0 0 "[ . 1 . 2]" 1
593 1 47 THR MG 1 48 VAL H . . 3.500 2.614 2.544 2.757 . 0 0 "[ . 1 . 2]" 1
594 1 47 THR MG 1 49 CYS H . . 5.750 5.032 4.880 5.141 . 0 0 "[ . 1 . 2]" 1
595 1 47 THR MG 1 50 MET H . . 5.600 5.018 4.645 5.251 . 0 0 "[ . 1 . 2]" 1
596 1 47 THR MG 1 64 TYR HA . . 5.650 4.207 3.879 4.538 . 0 0 "[ . 1 . 2]" 1
597 1 48 VAL H 1 48 VAL HB . . 3.310 2.524 2.436 2.914 . 0 0 "[ . 1 . 2]" 1
598 1 48 VAL H 1 48 VAL MG2 . . 3.210 2.410 2.080 2.526 . 0 0 "[ . 1 . 2]" 1
599 1 48 VAL H 1 65 PHE QD . . 5.700 5.623 5.490 5.717 0.017 9 0 "[ . 1 . 2]" 1
600 1 48 VAL HA 1 49 CYS H . . 3.220 2.206 2.157 2.237 . 0 0 "[ . 1 . 2]" 1
601 1 48 VAL HA 1 64 TYR QB . . 5.750 3.121 3.051 3.293 . 0 0 "[ . 1 . 2]" 1
602 1 48 VAL HA 1 65 PHE HB2 . . 4.780 4.089 3.930 4.188 . 0 0 "[ . 1 . 2]" 1
603 1 48 VAL HA 1 65 PHE HB3 . . 4.200 2.554 2.460 2.620 . 0 0 "[ . 1 . 2]" 1
604 1 48 VAL HB 1 49 CYS H . . 4.350 4.050 3.875 4.146 . 0 0 "[ . 1 . 2]" 1
605 1 48 VAL HB 1 53 ILE QG . . 4.000 3.525 2.947 3.742 . 0 0 "[ . 1 . 2]" 1
606 1 48 VAL HB 1 67 PRO QD . . 5.300 4.733 4.676 4.756 . 0 0 "[ . 1 . 2]" 1
607 1 48 VAL HB 1 75 ILE HG13 . . 4.730 4.078 3.872 4.261 . 0 0 "[ . 1 . 2]" 1
608 1 48 VAL MG2 1 49 CYS H . . 4.420 3.986 3.864 4.334 . 0 0 "[ . 1 . 2]" 1
609 1 48 VAL MG2 1 65 PHE HB2 . . 5.240 4.382 4.183 4.977 . 0 0 "[ . 1 . 2]" 1
610 1 48 VAL MG2 1 65 PHE HB3 . . 4.930 2.917 2.715 3.602 . 0 0 "[ . 1 . 2]" 1
611 1 48 VAL MG2 1 66 HIS H . . 5.750 5.671 5.471 6.564 0.814 9 1 "[ . +1 . 2]" 1
612 1 48 VAL MG2 1 66 HIS HA . . 5.320 5.180 4.985 6.012 0.692 9 1 "[ . +1 . 2]" 1
613 1 48 VAL MG2 1 67 PRO HA . . 5.440 5.341 5.109 6.256 0.816 9 1 "[ . +1 . 2]" 1
614 1 48 VAL MG2 1 67 PRO QD . . 4.160 3.120 2.890 3.981 . 0 0 "[ . 1 . 2]" 1
615 1 48 VAL MG2 1 75 ILE HG13 . . 4.710 2.395 2.307 2.573 . 0 0 "[ . 1 . 2]" 1
616 1 49 CYS H 1 49 CYS HB2 . . 3.570 2.316 2.261 2.347 . 0 0 "[ . 1 . 2]" 1
617 1 49 CYS H 1 49 CYS HB3 . . 3.600 2.730 2.696 2.771 . 0 0 "[ . 1 . 2]" 1
618 1 49 CYS H 1 50 MET H . . 4.750 4.347 4.327 4.383 . 0 0 "[ . 1 . 2]" 1
619 1 49 CYS H 1 52 TYR H . . 5.520 5.169 5.119 5.198 . 0 0 "[ . 1 . 2]" 1
620 1 49 CYS H 1 53 ILE MD . . 5.390 4.709 4.578 4.782 . 0 0 "[ . 1 . 2]" 1
621 1 49 CYS H 1 53 ILE QG . . 4.790 3.865 3.757 4.003 . 0 0 "[ . 1 . 2]" 1
622 1 49 CYS H 1 64 TYR HA . . 5.350 4.962 4.872 5.073 . 0 0 "[ . 1 . 2]" 1
623 1 49 CYS H 1 64 TYR QB . . 3.810 2.726 2.641 2.814 . 0 0 "[ . 1 . 2]" 1
624 1 49 CYS H 1 65 PHE HB3 . . 4.360 4.000 3.911 4.023 . 0 0 "[ . 1 . 2]" 1
625 1 49 CYS H 1 65 PHE QD . . 5.520 5.098 5.021 5.162 . 0 0 "[ . 1 . 2]" 1
626 1 49 CYS H 1 66 HIS HA . . 4.610 3.856 3.804 3.907 . 0 0 "[ . 1 . 2]" 1
627 1 49 CYS H 1 66 HIS HD2 . . 4.170 3.059 2.982 3.157 . 0 0 "[ . 1 . 2]" 1
628 1 49 CYS H 1 67 PRO QD . . 5.300 3.712 3.602 3.811 . 0 0 "[ . 1 . 2]" 1
629 1 49 CYS HA 1 50 MET H . . 2.940 2.095 2.061 2.154 . 0 0 "[ . 1 . 2]" 1
630 1 49 CYS HA 1 50 MET HA . . 4.850 4.461 4.433 4.497 . 0 0 "[ . 1 . 2]" 1
631 1 49 CYS HA 1 51 ASP H . . 4.380 3.624 3.560 3.778 . 0 0 "[ . 1 . 2]" 1
632 1 49 CYS HA 1 64 TYR QB . . 3.880 2.430 2.391 2.462 . 0 0 "[ . 1 . 2]" 1
633 1 49 CYS HA 1 64 TYR QD . . 4.660 2.310 2.174 2.909 . 0 0 "[ . 1 . 2]" 1
634 1 49 CYS HA 1 66 HIS HD2 . . 4.860 4.696 4.656 4.764 . 0 0 "[ . 1 . 2]" 1
635 1 49 CYS HB2 1 64 TYR H . . 5.260 4.005 3.893 4.091 . 0 0 "[ . 1 . 2]" 1
636 1 49 CYS HB2 1 64 TYR QB . . 4.100 2.142 2.074 2.180 . 0 0 "[ . 1 . 2]" 1
637 1 49 CYS HB2 1 66 HIS HA . . 5.110 4.433 4.357 4.490 . 0 0 "[ . 1 . 2]" 1
638 1 49 CYS HB2 1 66 HIS HD2 . . 3.920 2.489 2.415 2.574 . 0 0 "[ . 1 . 2]" 1
639 1 49 CYS HB2 1 67 PRO QD . . 5.750 5.073 4.991 5.134 . 0 0 "[ . 1 . 2]" 1
640 1 49 CYS HB3 1 51 ASP H . . 5.460 3.713 3.658 3.885 . 0 0 "[ . 1 . 2]" 1
641 1 49 CYS HB3 1 52 TYR H . . 4.120 2.841 2.759 2.909 . 0 0 "[ . 1 . 2]" 1
642 1 49 CYS HB3 1 52 TYR QB . . 4.330 2.518 2.419 2.746 . 0 0 "[ . 1 . 2]" 1
643 1 49 CYS HB3 1 53 ILE H . . 4.730 4.109 4.009 4.285 . 0 0 "[ . 1 . 2]" 1
644 1 49 CYS HB3 1 66 HIS HA . . 5.370 3.991 3.912 4.079 . 0 0 "[ . 1 . 2]" 1
645 1 49 CYS HB3 1 66 HIS HD2 . . 3.870 2.131 2.108 2.176 . 0 0 "[ . 1 . 2]" 1
646 1 50 MET H 1 50 MET QB . . 3.170 2.413 2.199 2.494 . 0 0 "[ . 1 . 2]" 1
647 1 50 MET H 1 50 MET ME . . 4.420 3.102 2.925 3.680 . 0 0 "[ . 1 . 2]" 1
648 1 50 MET H 1 50 MET HG2 . . 3.840 2.376 2.214 3.933 0.093 14 0 "[ . 1 . 2]" 1
649 1 50 MET H 1 50 MET HG3 . . 4.040 3.656 3.362 3.895 . 0 0 "[ . 1 . 2]" 1
650 1 50 MET H 1 51 ASP H . . 3.400 2.877 2.839 2.959 . 0 0 "[ . 1 . 2]" 1
651 1 50 MET H 1 51 ASP HA . . 5.580 5.526 5.492 5.585 0.005 18 0 "[ . 1 . 2]" 1
652 1 50 MET H 1 52 TYR H . . 4.880 4.679 4.630 4.771 . 0 0 "[ . 1 . 2]" 1
653 1 50 MET H 1 53 ILE H . . 5.350 4.924 4.875 4.993 . 0 0 "[ . 1 . 2]" 1
654 1 50 MET H 1 53 ILE QG . . 4.530 4.544 4.513 4.557 0.027 13 0 "[ . 1 . 2]" 1
655 1 50 MET H 1 64 TYR QB . . 4.150 4.170 4.118 4.206 0.056 10 0 "[ . 1 . 2]" 1
656 1 50 MET HA 1 50 MET ME . . 4.300 2.134 1.989 2.237 . 0 0 "[ . 1 . 2]" 1
657 1 50 MET HA 1 50 MET HG2 . . 4.170 3.009 2.811 3.619 . 0 0 "[ . 1 . 2]" 1
658 1 50 MET HA 1 50 MET HG3 . . 4.210 3.625 2.419 3.787 . 0 0 "[ . 1 . 2]" 1
659 1 50 MET HA 1 52 TYR H . . 4.930 4.448 4.364 4.532 . 0 0 "[ . 1 . 2]" 1
660 1 50 MET HA 1 53 ILE H . . 3.720 3.289 3.207 3.387 . 0 0 "[ . 1 . 2]" 1
661 1 50 MET HA 1 53 ILE HA . . 5.420 5.114 5.046 5.196 . 0 0 "[ . 1 . 2]" 1
662 1 50 MET HA 1 53 ILE HB . . 3.810 2.147 2.104 2.226 . 0 0 "[ . 1 . 2]" 1
663 1 50 MET HA 1 53 ILE MD . . 4.740 4.745 4.598 4.785 0.045 9 0 "[ . 1 . 2]" 1
664 1 50 MET HA 1 53 ILE QG . . 4.630 3.199 2.987 3.285 . 0 0 "[ . 1 . 2]" 1
665 1 50 MET HA 1 53 ILE MG . . 4.550 3.392 3.262 3.537 . 0 0 "[ . 1 . 2]" 1
666 1 50 MET HA 1 54 LYS H . . 4.580 4.390 4.324 4.459 . 0 0 "[ . 1 . 2]" 1
667 1 50 MET QB 1 51 ASP HA . . 5.310 4.274 4.176 4.330 . 0 0 "[ . 1 . 2]" 1
668 1 50 MET QB 1 52 TYR H . . 5.210 5.229 5.125 5.256 0.046 5 0 "[ . 1 . 2]" 1
669 1 50 MET QB 1 53 ILE H . . 5.590 4.964 4.834 5.067 . 0 0 "[ . 1 . 2]" 1
670 1 50 MET HB2 1 51 ASP H . . 4.110 3.447 3.230 3.555 . 0 0 "[ . 1 . 2]" 1
671 1 50 MET HB3 1 51 ASP H . . 4.110 4.115 3.941 4.148 0.038 16 0 "[ . 1 . 2]" 1
672 1 50 MET ME 1 50 MET HG2 . . 3.900 2.359 2.265 3.357 . 0 0 "[ . 1 . 2]" 1
673 1 50 MET ME 1 52 TYR H . . 5.750 5.320 5.192 5.604 . 0 0 "[ . 1 . 2]" 1
674 1 50 MET ME 1 53 ILE H . . 5.750 4.059 3.930 4.263 . 0 0 "[ . 1 . 2]" 1
675 1 50 MET ME 1 53 ILE HA . . 5.570 4.930 4.640 5.199 . 0 0 "[ . 1 . 2]" 1
676 1 50 MET ME 1 53 ILE QG . . 4.340 2.198 2.100 2.580 . 0 0 "[ . 1 . 2]" 1
677 1 50 MET HG2 1 53 ILE HB . . 5.080 4.898 4.733 5.528 0.448 14 0 "[ . 1 . 2]" 1
678 1 50 MET HG2 1 53 ILE QG . . 5.700 4.847 4.615 5.914 0.214 14 0 "[ . 1 . 2]" 1
679 1 50 MET HG3 1 53 ILE QG . . 5.750 5.767 4.574 6.019 0.269 18 0 "[ . 1 . 2]" 1
680 1 51 ASP H 1 51 ASP HB2 . . 4.090 2.418 2.337 2.446 . 0 0 "[ . 1 . 2]" 1
681 1 51 ASP H 1 52 TYR H . . 5.750 2.479 2.420 2.634 . 0 0 "[ . 1 . 2]" 1
682 1 51 ASP H 1 52 TYR HA . . 5.140 5.132 5.077 5.224 0.084 8 0 "[ . 1 . 2]" 1
683 1 51 ASP H 1 53 ILE H . . 4.860 3.713 3.629 3.920 . 0 0 "[ . 1 . 2]" 1
684 1 51 ASP H 1 53 ILE HB . . 4.910 4.595 4.468 4.806 . 0 0 "[ . 1 . 2]" 1
685 1 51 ASP H 1 54 LYS QG . . 5.600 5.094 5.026 5.137 . 0 0 "[ . 1 . 2]" 1
686 1 51 ASP H 1 57 CYS QB . . 4.320 3.859 3.831 3.876 . 0 0 "[ . 1 . 2]" 1
687 1 51 ASP HA 1 53 ILE H . . 4.380 4.389 4.337 4.411 0.031 13 0 "[ . 1 . 2]" 1
688 1 51 ASP HA 1 54 LYS H . . 4.580 3.539 3.482 3.562 . 0 0 "[ . 1 . 2]" 1
689 1 51 ASP HA 1 54 LYS HB2 . . 5.100 3.353 3.076 3.476 . 0 0 "[ . 1 . 2]" 1
690 1 51 ASP HA 1 54 LYS QG . . 4.820 4.285 4.045 4.330 . 0 0 "[ . 1 . 2]" 1
691 1 51 ASP HA 1 55 GLY H . . 3.550 3.569 3.523 3.609 0.059 12 0 "[ . 1 . 2]" 1
692 1 51 ASP HA 1 56 ARG H . . 3.710 3.789 3.775 3.807 0.097 20 0 "[ . 1 . 2]" 1
693 1 51 ASP HA 1 57 CYS QB . . 5.590 4.434 4.373 4.478 . 0 0 "[ . 1 . 2]" 1
694 1 51 ASP HB2 1 52 TYR H . . 5.750 2.786 2.723 2.833 . 0 0 "[ . 1 . 2]" 1
695 1 51 ASP HB2 1 54 LYS H . . 5.680 5.608 5.583 5.631 . 0 0 "[ . 1 . 2]" 1
696 1 51 ASP HB2 1 57 CYS HA . . 4.770 4.417 3.998 4.634 . 0 0 "[ . 1 . 2]" 1
697 1 51 ASP HB2 1 57 CYS QB . . 4.630 2.182 2.143 2.205 . 0 0 "[ . 1 . 2]" 1
698 1 51 ASP HB3 1 54 LYS H . . 5.200 5.220 5.203 5.231 0.031 5 0 "[ . 1 . 2]" 1
699 1 51 ASP HB3 1 55 GLY H . . 5.410 4.722 4.690 4.772 . 0 0 "[ . 1 . 2]" 1
700 1 51 ASP HB3 1 56 ARG H . . 3.200 3.230 3.218 3.240 0.040 20 0 "[ . 1 . 2]" 1
701 1 51 ASP HB3 1 57 CYS HA . . 5.340 4.114 3.634 4.327 . 0 0 "[ . 1 . 2]" 1
702 1 51 ASP HB3 1 57 CYS QB . . 3.540 2.640 2.526 2.751 . 0 0 "[ . 1 . 2]" 1
703 1 52 TYR H 1 53 ILE H . . 5.010 2.577 2.545 2.612 . 0 0 "[ . 1 . 2]" 1
704 1 52 TYR H 1 53 ILE HB . . 5.450 4.556 4.474 4.637 . 0 0 "[ . 1 . 2]" 1
705 1 52 TYR H 1 53 ILE MD . . 5.110 5.145 5.130 5.158 0.048 1 0 "[ . 1 . 2]" 1
706 1 52 TYR H 1 54 LYS H . . 5.340 4.064 4.031 4.085 . 0 0 "[ . 1 . 2]" 1
707 1 52 TYR H 1 55 GLY H . . 5.750 4.739 4.701 4.772 . 0 0 "[ . 1 . 2]" 1
708 1 52 TYR H 1 57 CYS H . . 4.480 4.511 4.477 4.532 0.052 18 0 "[ . 1 . 2]" 1
709 1 52 TYR H 1 66 HIS HD2 . . 4.380 4.370 4.294 4.391 0.011 2 0 "[ . 1 . 2]" 1
710 1 52 TYR HA 1 52 TYR QE . . 5.750 4.665 4.528 4.784 . 0 0 "[ . 1 . 2]" 1
711 1 52 TYR HA 1 54 LYS H . . 3.640 3.737 3.707 3.761 0.121 18 0 "[ . 1 . 2]" 1
712 1 52 TYR HA 1 55 GLY H . . 4.770 3.535 3.466 3.591 . 0 0 "[ . 1 . 2]" 1
713 1 52 TYR HA 1 56 ARG H . . 3.670 3.572 3.455 3.682 0.012 13 0 "[ . 1 . 2]" 1
714 1 52 TYR HA 1 56 ARG HA . . 4.960 2.438 2.283 2.629 . 0 0 "[ . 1 . 2]" 1
715 1 52 TYR HA 1 57 CYS H . . 4.970 2.893 2.785 3.042 . 0 0 "[ . 1 . 2]" 1
716 1 52 TYR HA 1 57 CYS HA . . 5.750 5.044 5.009 5.103 . 0 0 "[ . 1 . 2]" 1
717 1 52 TYR HA 1 57 CYS QB . . 4.380 3.427 3.361 3.499 . 0 0 "[ . 1 . 2]" 1
718 1 52 TYR QB 1 53 ILE H . . 4.360 2.778 2.695 2.875 . 0 0 "[ . 1 . 2]" 1
719 1 52 TYR QB 1 53 ILE QG . . 5.350 3.355 3.250 3.484 . 0 0 "[ . 1 . 2]" 1
720 1 52 TYR QB 1 56 ARG QG . . 5.750 5.128 5.078 5.163 . 0 0 "[ . 1 . 2]" 1
721 1 52 TYR QB 1 57 CYS H . . 3.840 2.898 2.741 3.059 . 0 0 "[ . 1 . 2]" 1
722 1 52 TYR QB 1 57 CYS HA . . 5.020 4.406 4.272 4.518 . 0 0 "[ . 1 . 2]" 1
723 1 52 TYR QB 1 66 HIS HA . . 3.830 3.441 3.415 3.468 . 0 0 "[ . 1 . 2]" 1
724 1 52 TYR QB 1 66 HIS HD2 . . 5.360 2.762 2.602 2.855 . 0 0 "[ . 1 . 2]" 1
725 1 52 TYR QB 1 67 PRO QD . . 4.840 3.865 3.842 3.886 . 0 0 "[ . 1 . 2]" 1
726 1 52 TYR QD 1 53 ILE HA . . 5.000 4.183 3.992 4.319 . 0 0 "[ . 1 . 2]" 1
727 1 52 TYR QD 1 53 ILE MD . . 5.630 2.771 2.553 2.991 . 0 0 "[ . 1 . 2]" 1
728 1 52 TYR QD 1 55 GLY H . . 5.420 5.482 5.439 5.517 0.097 10 0 "[ . 1 . 2]" 1
729 1 52 TYR QD 1 66 HIS HA . . 5.680 2.523 2.288 2.721 . 0 0 "[ . 1 . 2]" 1
730 1 52 TYR QD 1 67 PRO QD . . 4.330 2.211 2.084 2.420 . 0 0 "[ . 1 . 2]" 1
731 1 52 TYR QE 1 53 ILE HA . . 5.290 5.216 5.020 5.348 0.058 15 0 "[ . 1 . 2]" 1
732 1 52 TYR QE 1 53 ILE MD . . 5.650 3.562 3.254 3.892 . 0 0 "[ . 1 . 2]" 1
733 1 52 TYR QE 1 57 CYS H . . 5.750 4.725 4.431 5.148 . 0 0 "[ . 1 . 2]" 1
734 1 52 TYR QE 1 66 HIS HA . . 5.270 3.486 3.197 4.014 . 0 0 "[ . 1 . 2]" 1
735 1 52 TYR QE 1 67 PRO QD . . 4.110 2.776 2.353 3.406 . 0 0 "[ . 1 . 2]" 1
736 1 53 ILE H 1 53 ILE MD . . 4.680 3.338 3.313 3.370 . 0 0 "[ . 1 . 2]" 1
737 1 53 ILE H 1 53 ILE MG . . 4.270 3.735 3.718 3.748 . 0 0 "[ . 1 . 2]" 1
738 1 53 ILE H 1 54 LYS HA . . 5.560 5.398 5.359 5.449 . 0 0 "[ . 1 . 2]" 1
739 1 53 ILE H 1 54 LYS QG . . 4.630 3.997 3.946 4.077 . 0 0 "[ . 1 . 2]" 1
740 1 53 ILE HA 1 53 ILE MD . . 4.680 2.081 2.060 2.128 . 0 0 "[ . 1 . 2]" 1
741 1 53 ILE HA 1 54 LYS HA . . 4.820 4.567 4.542 4.609 . 0 0 "[ . 1 . 2]" 1
742 1 53 ILE HA 1 54 LYS QG . . 5.750 4.261 4.191 4.362 . 0 0 "[ . 1 . 2]" 1
743 1 53 ILE HA 1 72 GLN HG2 . . 3.970 3.826 3.668 4.017 0.047 3 0 "[ . 1 . 2]" 1
744 1 53 ILE HA 1 72 GLN QG . . 3.680 3.460 3.338 3.506 . 0 0 "[ . 1 . 2]" 1
745 1 53 ILE HA 1 72 GLN HG3 . . 3.880 3.971 3.797 4.231 0.351 9 0 "[ . 1 . 2]" 1
746 1 53 ILE HA 1 76 LYS HA . . 4.100 4.161 4.114 4.204 0.104 15 0 "[ . 1 . 2]" 1
747 1 53 ILE HB 1 53 ILE MD . . 3.460 3.288 3.274 3.296 . 0 0 "[ . 1 . 2]" 1
748 1 53 ILE HB 1 54 LYS H . . 3.680 3.370 3.285 3.436 . 0 0 "[ . 1 . 2]" 1
749 1 53 ILE HB 1 54 LYS QG . . 3.420 2.846 2.816 2.894 . 0 0 "[ . 1 . 2]" 1
750 1 53 ILE HB 1 76 LYS HA . . 5.400 5.083 4.937 5.236 . 0 0 "[ . 1 . 2]" 1
751 1 53 ILE MD 1 54 LYS H . . 5.520 4.765 4.725 4.797 . 0 0 "[ . 1 . 2]" 1
752 1 53 ILE MD 1 66 HIS HA . . 5.750 4.228 4.154 4.344 . 0 0 "[ . 1 . 2]" 1
753 1 53 ILE MD 1 67 PRO QD . . 4.700 2.634 2.552 2.744 . 0 0 "[ . 1 . 2]" 1
754 1 53 ILE MD 1 72 GLN HA . . 4.120 3.041 2.956 3.111 . 0 0 "[ . 1 . 2]" 1
755 1 53 ILE MD 1 72 GLN HB2 . . 4.850 3.999 3.919 4.075 . 0 0 "[ . 1 . 2]" 1
756 1 53 ILE MD 1 72 GLN HB3 . . 5.690 4.525 4.433 4.644 . 0 0 "[ . 1 . 2]" 1
757 1 53 ILE MD 1 72 GLN HG2 . . 5.750 2.619 2.258 3.002 . 0 0 "[ . 1 . 2]" 1
758 1 53 ILE MD 1 72 GLN QG . . 5.750 2.149 2.069 2.249 . 0 0 "[ . 1 . 2]" 1
759 1 53 ILE MD 1 72 GLN HG3 . . 4.840 2.334 2.178 2.732 . 0 0 "[ . 1 . 2]" 1
760 1 53 ILE MD 1 75 ILE HB . . 5.070 2.338 2.273 2.419 . 0 0 "[ . 1 . 2]" 1
761 1 53 ILE QG 1 54 LYS H . . 5.310 4.493 4.413 4.547 . 0 0 "[ . 1 . 2]" 1
762 1 53 ILE QG 1 54 LYS QG . . 4.960 4.447 4.406 4.497 . 0 0 "[ . 1 . 2]" 1
763 1 53 ILE QG 1 64 TYR QB . . 5.630 5.660 5.585 5.714 0.084 8 0 "[ . 1 . 2]" 1
764 1 53 ILE QG 1 66 HIS HA . . 4.520 4.579 4.557 4.614 0.094 4 0 "[ . 1 . 2]" 1
765 1 53 ILE MG 1 54 LYS H . . 4.180 3.880 3.789 4.002 . 0 0 "[ . 1 . 2]" 1
766 1 53 ILE MG 1 54 LYS HA . . 5.750 3.944 3.843 4.081 . 0 0 "[ . 1 . 2]" 1
767 1 53 ILE MG 1 54 LYS QG . . 5.120 2.422 2.249 2.662 . 0 0 "[ . 1 . 2]" 1
768 1 53 ILE MG 1 76 LYS HA . . 5.400 2.168 2.070 2.323 . 0 0 "[ . 1 . 2]" 1
769 1 53 ILE MG 1 76 LYS QB . . 5.470 3.744 3.136 3.999 . 0 0 "[ . 1 . 2]" 1
770 1 54 LYS H 1 54 LYS HB3 . . 4.110 3.899 3.829 3.933 . 0 0 "[ . 1 . 2]" 1
771 1 54 LYS H 1 54 LYS QE . . 5.020 4.180 3.975 4.238 . 0 0 "[ . 1 . 2]" 1
772 1 54 LYS H 1 54 LYS QG . . 3.180 2.822 2.793 2.857 . 0 0 "[ . 1 . 2]" 1
773 1 54 LYS H 1 56 ARG H . . 4.520 4.480 4.390 4.527 0.007 7 0 "[ . 1 . 2]" 1
774 1 54 LYS HB2 1 55 GLY H . . 3.550 3.107 2.969 3.177 . 0 0 "[ . 1 . 2]" 1
775 1 54 LYS HB2 1 55 GLY QA . . 5.400 4.082 4.036 4.118 . 0 0 "[ . 1 . 2]" 1
776 1 54 LYS QE 1 55 GLY H . . 4.780 4.816 4.787 4.832 0.052 6 0 "[ . 1 . 2]" 1
777 1 54 LYS QG 1 55 GLY H . . 4.610 4.141 4.123 4.179 . 0 0 "[ . 1 . 2]" 1
778 1 55 GLY H 1 56 ARG H . . 4.160 2.906 2.839 2.998 . 0 0 "[ . 1 . 2]" 1
779 1 55 GLY H 1 56 ARG HA . . 5.370 4.210 4.114 4.311 . 0 0 "[ . 1 . 2]" 1
780 1 56 ARG H 1 56 ARG HB2 . . 3.610 3.483 3.374 3.569 . 0 0 "[ . 1 . 2]" 1
781 1 56 ARG H 1 56 ARG HB3 . . 4.390 3.157 3.059 3.239 . 0 0 "[ . 1 . 2]" 1
782 1 56 ARG H 1 56 ARG QD . . 4.520 4.553 4.418 4.615 0.095 4 0 "[ . 1 . 2]" 1
783 1 56 ARG H 1 56 ARG QG . . 4.410 4.418 4.337 4.442 0.032 5 0 "[ . 1 . 2]" 1
784 1 56 ARG H 1 57 CYS QB . . 5.000 4.449 4.380 4.481 . 0 0 "[ . 1 . 2]" 1
785 1 56 ARG HA 1 56 ARG QD . . 4.990 2.469 2.001 3.648 . 0 0 "[ . 1 . 2]" 1
786 1 56 ARG HA 1 57 CYS H . . 3.200 2.168 2.124 2.247 . 0 0 "[ . 1 . 2]" 1
787 1 56 ARG QB 1 57 CYS H . . 5.400 3.600 3.533 3.677 . 0 0 "[ . 1 . 2]" 1
788 1 56 ARG QD 1 57 CYS H . . 4.250 2.520 1.853 3.234 . 0 0 "[ . 1 . 2]" 1
789 1 56 ARG QG 1 57 CYS H . . 3.980 2.580 2.445 2.750 . 0 0 "[ . 1 . 2]" 1
790 1 57 CYS H 1 57 CYS QB . . 3.600 2.822 2.619 2.902 . 0 0 "[ . 1 . 2]" 1
791 1 57 CYS H 1 58 SER H . . 4.210 4.045 3.020 4.169 . 0 0 "[ . 1 . 2]" 1
792 1 57 CYS H 1 58 SER HB3 . . 4.010 4.066 3.985 4.113 0.103 19 0 "[ . 1 . 2]" 1
793 1 58 SER H 1 59 ARG H . . 4.890 2.178 2.054 3.067 . 0 0 "[ . 1 . 2]" 1
794 1 58 SER H 1 59 ARG QG . . 3.470 3.093 2.931 3.585 0.115 20 0 "[ . 1 . 2]" 1
795 1 58 SER HA 1 59 ARG H . . 5.350 3.215 2.288 3.320 . 0 0 "[ . 1 . 2]" 1
796 1 58 SER HB2 1 59 ARG H . . 4.550 4.437 4.133 4.480 . 0 0 "[ . 1 . 2]" 1
797 1 58 SER HB2 1 59 ARG HA . . 4.820 4.874 4.846 4.922 0.102 20 0 "[ . 1 . 2]" 1
798 1 58 SER HB3 1 59 ARG H . . 4.890 4.619 4.508 4.710 . 0 0 "[ . 1 . 2]" 1
799 1 59 ARG H 1 59 ARG QD . . 3.920 3.548 3.495 3.643 . 0 0 "[ . 1 . 2]" 1
800 1 59 ARG H 1 60 GLU H . . 4.530 4.545 4.442 4.586 0.056 8 0 "[ . 1 . 2]" 1
801 1 59 ARG H 1 61 LYS H . . 5.000 5.056 5.013 5.078 0.078 9 0 "[ . 1 . 2]" 1
802 1 59 ARG H 1 62 CYS HB2 . . 4.980 3.508 2.772 3.864 . 0 0 "[ . 1 . 2]" 1
803 1 59 ARG H 1 62 CYS HB3 . . 5.310 5.133 4.316 5.359 0.049 1 0 "[ . 1 . 2]" 1
804 1 59 ARG HA 1 59 ARG QD . . 4.610 4.166 4.091 4.301 . 0 0 "[ . 1 . 2]" 1
805 1 59 ARG HA 1 59 ARG HG3 . . 4.050 3.357 3.076 3.740 . 0 0 "[ . 1 . 2]" 1
806 1 59 ARG HA 1 60 GLU H . . 5.030 2.149 2.044 2.290 . 0 0 "[ . 1 . 2]" 1
807 1 59 ARG QB 1 60 GLU H . . 4.330 3.040 2.626 3.332 . 0 0 "[ . 1 . 2]" 1
808 1 59 ARG QB 1 60 GLU QB . . 5.750 4.542 4.208 5.096 . 0 0 "[ . 1 . 2]" 1
809 1 59 ARG QB 1 61 LYS H . . 3.200 2.477 2.344 2.880 . 0 0 "[ . 1 . 2]" 1
810 1 59 ARG QB 1 61 LYS QG . . 4.750 4.076 2.599 4.770 0.020 20 0 "[ . 1 . 2]" 1
811 1 59 ARG QB 1 62 CYS H . . 5.750 3.034 2.619 4.273 . 0 0 "[ . 1 . 2]" 1
812 1 59 ARG QB 1 62 CYS HA . . 4.560 3.081 2.532 4.592 0.032 1 0 "[ . 1 . 2]" 1
813 1 59 ARG QB 1 62 CYS HB2 . . 4.310 2.571 2.011 4.226 . 0 0 "[ . 1 . 2]" 1
814 1 59 ARG QD 1 62 CYS HA . . 4.130 2.154 1.996 2.245 . 0 0 "[ . 1 . 2]" 1
815 1 59 ARG QD 1 62 CYS HB2 . . 3.540 2.767 2.116 3.197 . 0 0 "[ . 1 . 2]" 1
816 1 59 ARG QD 1 63 LYS H . . 3.840 3.477 3.443 3.538 . 0 0 "[ . 1 . 2]" 1
817 1 59 ARG QG 1 62 CYS HB2 . . 3.600 3.329 2.033 3.652 0.052 9 0 "[ . 1 . 2]" 1
818 1 60 GLU H 1 60 GLU QG . . 3.500 2.560 2.114 3.324 . 0 0 "[ . 1 . 2]" 1
819 1 60 GLU H 1 61 LYS H . . 5.000 2.597 2.499 2.986 . 0 0 "[ . 1 . 2]" 1
820 1 60 GLU HA 1 61 LYS H . . 4.990 3.352 3.270 3.450 . 0 0 "[ . 1 . 2]" 1
821 1 60 GLU QB 1 61 LYS H . . 4.820 3.147 2.841 3.884 . 0 0 "[ . 1 . 2]" 1
822 1 60 GLU QB 1 61 LYS QG . . 3.700 2.990 2.518 3.753 0.053 1 0 "[ . 1 . 2]" 1
823 1 60 GLU QB 1 62 CYS H . . 5.000 5.023 4.836 5.067 0.067 5 0 "[ . 1 . 2]" 1
824 1 60 GLU QG 1 61 LYS H . . 5.740 4.353 3.628 4.792 . 0 0 "[ . 1 . 2]" 1
825 1 60 GLU QG 1 61 LYS QG . . 5.010 4.627 2.159 5.020 0.010 12 0 "[ . 1 . 2]" 1
826 1 61 LYS H 1 61 LYS QG . . 3.340 2.761 2.117 3.120 . 0 0 "[ . 1 . 2]" 1
827 1 61 LYS H 1 62 CYS H . . 3.750 2.657 2.484 2.846 . 0 0 "[ . 1 . 2]" 1
828 1 61 LYS HA 1 61 LYS QG . . 4.000 2.888 2.386 3.397 . 0 0 "[ . 1 . 2]" 1
829 1 61 LYS HA 1 62 CYS H . . 5.370 2.831 2.712 3.178 . 0 0 "[ . 1 . 2]" 1
830 1 61 LYS QG 1 62 CYS H . . 5.290 4.392 3.736 4.853 . 0 0 "[ . 1 . 2]" 1
831 1 62 CYS H 1 62 CYS HB3 . . 4.320 2.702 2.604 2.807 . 0 0 "[ . 1 . 2]" 1
832 1 62 CYS H 1 63 LYS H . . 4.380 4.428 4.404 4.463 0.083 5 0 "[ . 1 . 2]" 1
833 1 62 CYS HA 1 63 LYS H . . 3.370 2.326 2.167 2.423 . 0 0 "[ . 1 . 2]" 1
834 1 62 CYS HA 1 64 TYR H . . 4.500 4.134 4.062 4.215 . 0 0 "[ . 1 . 2]" 1
835 1 62 CYS HB2 1 63 LYS H . . 3.420 3.518 3.502 3.529 0.109 12 0 "[ . 1 . 2]" 1
836 1 62 CYS HB3 1 63 LYS H . . 5.000 3.070 2.957 3.259 . 0 0 "[ . 1 . 2]" 1
837 1 62 CYS HB3 1 64 TYR H . . 4.630 3.076 2.861 3.504 . 0 0 "[ . 1 . 2]" 1
838 1 63 LYS H 1 63 LYS HB2 . . 3.860 3.800 2.804 3.907 0.047 10 0 "[ . 1 . 2]" 1
839 1 63 LYS H 1 63 LYS HG2 . . 5.480 2.430 2.147 4.410 . 0 0 "[ . 1 . 2]" 1
840 1 63 LYS H 1 63 LYS QG . . 4.380 2.367 2.114 3.788 . 0 0 "[ . 1 . 2]" 1
841 1 63 LYS H 1 63 LYS HG3 . . 4.050 3.501 3.176 4.126 0.076 5 0 "[ . 1 . 2]" 1
842 1 63 LYS H 1 64 TYR H . . 4.880 2.133 2.056 2.188 . 0 0 "[ . 1 . 2]" 1
843 1 63 LYS H 1 64 TYR QB . . 4.050 4.107 4.091 4.128 0.078 5 0 "[ . 1 . 2]" 1
844 1 63 LYS H 1 64 TYR QD . . 4.990 4.909 4.484 5.013 0.023 14 0 "[ . 1 . 2]" 1
845 1 63 LYS QB 1 64 TYR H . . 5.750 3.654 2.655 3.834 . 0 0 "[ . 1 . 2]" 1
846 1 63 LYS QG 1 64 TYR H . . 3.480 2.718 2.562 3.397 . 0 0 "[ . 1 . 2]" 1
847 1 63 LYS QG 1 64 TYR HA . . 3.810 3.883 3.858 3.926 0.116 10 0 "[ . 1 . 2]" 1
848 1 64 TYR H 1 64 TYR QD . . 5.570 3.806 3.583 3.904 . 0 0 "[ . 1 . 2]" 1
849 1 65 PHE HA 1 66 HIS H . . 5.750 2.191 2.167 2.209 . 0 0 "[ . 1 . 2]" 1
850 1 65 PHE HB2 1 66 HIS H . . 4.640 4.066 4.021 4.123 . 0 0 "[ . 1 . 2]" 1
851 1 65 PHE HB3 1 66 HIS HA . . 5.320 5.000 4.937 5.027 . 0 0 "[ . 1 . 2]" 1
852 1 65 PHE HB3 1 67 PRO QD . . 4.790 3.754 3.638 3.872 . 0 0 "[ . 1 . 2]" 1
853 1 65 PHE QD 1 66 HIS H . . 4.640 2.641 2.306 2.909 . 0 0 "[ . 1 . 2]" 1
854 1 65 PHE QD 1 67 PRO HA . . 5.300 4.006 3.865 4.133 . 0 0 "[ . 1 . 2]" 1
855 1 65 PHE QD 1 67 PRO QD . . 5.750 3.010 2.827 3.236 . 0 0 "[ . 1 . 2]" 1
856 1 65 PHE QE 1 67 PRO HA . . 4.140 2.639 2.464 2.883 . 0 0 "[ . 1 . 2]" 1
857 1 65 PHE QE 1 67 PRO QD . . 4.190 3.739 3.714 3.759 . 0 0 "[ . 1 . 2]" 1
858 1 65 PHE QE 1 68 PRO HD2 . . 5.140 3.428 3.278 3.630 . 0 0 "[ . 1 . 2]" 1
859 1 65 PHE QE 1 68 PRO HD3 . . 5.750 3.721 3.593 3.850 . 0 0 "[ . 1 . 2]" 1
860 1 66 HIS H 1 66 HIS HD2 . . 3.560 3.623 3.607 3.669 0.109 20 0 "[ . 1 . 2]" 1
861 1 66 HIS H 1 67 PRO QD . . 4.220 3.775 3.763 3.786 . 0 0 "[ . 1 . 2]" 1
862 1 66 HIS HA 1 67 PRO QD . . 3.740 1.991 1.971 2.019 . 0 0 "[ . 1 . 2]" 1
863 1 66 HIS QB 1 67 PRO QD . . 4.930 3.565 3.547 3.583 . 0 0 "[ . 1 . 2]" 1
864 1 66 HIS HD2 1 67 PRO QD . . 4.030 3.654 3.623 3.666 . 0 0 "[ . 1 . 2]" 1
865 1 67 PRO HA 1 68 PRO HD2 . . 4.730 2.354 2.325 2.374 . 0 0 "[ . 1 . 2]" 1
866 1 67 PRO HA 1 68 PRO QD . . 4.960 2.137 2.104 2.157 . 0 0 "[ . 1 . 2]" 1
867 1 67 PRO HA 1 68 PRO HD3 . . 5.390 2.451 2.394 2.492 . 0 0 "[ . 1 . 2]" 1
868 1 67 PRO HA 1 68 PRO HG3 . . 5.170 4.600 4.543 4.630 . 0 0 "[ . 1 . 2]" 1
869 1 67 PRO HA 1 71 LEU HB2 . . 5.050 4.162 4.041 4.276 . 0 0 "[ . 1 . 2]" 1
870 1 67 PRO HA 1 72 GLN H . . 5.050 5.048 4.996 5.069 0.019 9 0 "[ . 1 . 2]" 1
871 1 67 PRO HA 1 72 GLN HB2 . . 4.590 4.627 4.597 4.668 0.078 4 0 "[ . 1 . 2]" 1
872 1 67 PRO HA 1 72 GLN QG . . 5.510 5.454 5.327 5.512 0.002 4 0 "[ . 1 . 2]" 1
873 1 67 PRO HB2 1 68 PRO HD2 . . 3.780 2.817 2.758 2.860 . 0 0 "[ . 1 . 2]" 1
874 1 67 PRO HB2 1 68 PRO HD3 . . 5.750 4.170 4.118 4.204 . 0 0 "[ . 1 . 2]" 1
875 1 67 PRO HB2 1 71 LEU HB2 . . 3.780 2.676 2.539 2.856 . 0 0 "[ . 1 . 2]" 1
876 1 67 PRO HB2 1 72 GLN H . . 4.790 2.627 2.581 2.666 . 0 0 "[ . 1 . 2]" 1
877 1 67 PRO HB2 1 72 GLN HA . . 4.510 2.824 2.706 2.903 . 0 0 "[ . 1 . 2]" 1
878 1 67 PRO HB2 1 72 GLN QG . . 5.750 3.915 3.843 3.955 . 0 0 "[ . 1 . 2]" 1
879 1 67 PRO HB2 1 75 ILE H . . 5.600 5.682 5.656 5.694 0.094 7 0 "[ . 1 . 2]" 1
880 1 67 PRO HB3 1 68 PRO HD2 . . 5.330 3.039 2.946 3.113 . 0 0 "[ . 1 . 2]" 1
881 1 67 PRO HB3 1 68 PRO QD . . 3.270 2.969 2.885 3.037 . 0 0 "[ . 1 . 2]" 1
882 1 67 PRO HB3 1 68 PRO HD3 . . 5.270 4.175 4.091 4.223 . 0 0 "[ . 1 . 2]" 1
883 1 67 PRO HB3 1 71 LEU HB2 . . 4.710 3.506 3.333 3.757 . 0 0 "[ . 1 . 2]" 1
884 1 67 PRO HB3 1 71 LEU HB3 . . 5.270 3.364 3.145 3.515 . 0 0 "[ . 1 . 2]" 1
885 1 67 PRO HB3 1 71 LEU HG . . 5.450 4.649 4.369 4.936 . 0 0 "[ . 1 . 2]" 1
886 1 67 PRO QD 1 72 GLN HB2 . . 4.790 4.277 4.244 4.291 . 0 0 "[ . 1 . 2]" 1
887 1 67 PRO QD 1 72 GLN HG2 . . 4.610 4.851 4.346 5.082 0.472 3 0 "[ . 1 . 2]" 1
888 1 67 PRO QD 1 72 GLN QG . . 4.500 3.411 3.341 3.431 . 0 0 "[ . 1 . 2]" 1
889 1 67 PRO QD 1 72 GLN HG3 . . 4.290 3.490 3.416 3.575 . 0 0 "[ . 1 . 2]" 1
890 1 68 PRO QB 1 71 LEU H . . 4.420 3.914 3.797 3.999 . 0 0 "[ . 1 . 2]" 1
891 1 68 PRO QD 1 71 LEU H . . 4.470 3.867 3.788 3.986 . 0 0 "[ . 1 . 2]" 1
892 1 68 PRO QD 1 71 LEU HB2 . . 5.060 2.334 2.280 2.442 . 0 0 "[ . 1 . 2]" 1
893 1 68 PRO QD 1 71 LEU QD . . 5.340 3.316 3.152 3.464 . 0 0 "[ . 1 . 2]" 1
894 1 68 PRO QD 1 71 LEU HG . . 4.480 3.362 3.144 3.529 . 0 0 "[ . 1 . 2]" 1
895 1 68 PRO HD2 1 71 LEU HG . . 4.770 3.428 3.201 3.599 . 0 0 "[ . 1 . 2]" 1
896 1 68 PRO HD3 1 71 LEU HG . . 5.590 4.858 4.604 5.088 . 0 0 "[ . 1 . 2]" 1
897 1 68 PRO HG2 1 71 LEU H . . 4.420 2.734 2.617 2.832 . 0 0 "[ . 1 . 2]" 1
898 1 68 PRO HG2 1 71 LEU HG . . 4.670 3.654 3.310 3.872 . 0 0 "[ . 1 . 2]" 1
899 1 68 PRO HG2 1 72 GLN H . . 4.640 4.044 3.967 4.133 . 0 0 "[ . 1 . 2]" 1
900 1 68 PRO HG3 1 71 LEU H . . 4.420 4.517 4.395 4.624 0.204 3 0 "[ . 1 . 2]" 1
901 1 68 PRO HG3 1 71 LEU HG . . 4.100 4.338 3.965 4.653 0.553 3 2 "[- + . 1 . 2]" 1
902 1 70 HIS HA 1 70 HIS HD2 . . 4.290 3.949 2.989 4.228 . 0 0 "[ . 1 . 2]" 1
903 1 70 HIS HA 1 72 GLN H . . 5.750 4.685 4.603 4.818 . 0 0 "[ . 1 . 2]" 1
904 1 70 HIS HA 1 73 ALA H . . 4.290 3.984 3.769 4.226 . 0 0 "[ . 1 . 2]" 1
905 1 70 HIS HA 1 73 ALA MB . . 5.460 3.445 3.187 3.737 . 0 0 "[ . 1 . 2]" 1
906 1 70 HIS QB 1 71 LEU H . . 4.020 2.577 2.418 2.691 . 0 0 "[ . 1 . 2]" 1
907 1 70 HIS HD2 1 71 LEU HA . . 3.720 3.621 3.178 3.743 0.023 10 0 "[ . 1 . 2]" 1
908 1 70 HIS HD2 1 71 LEU QD . . 5.310 2.295 2.113 3.142 . 0 0 "[ . 1 . 2]" 1
909 1 71 LEU H 1 71 LEU QD . . 3.800 2.364 2.287 2.433 . 0 0 "[ . 1 . 2]" 1
910 1 71 LEU H 1 71 LEU HG . . 4.760 4.018 3.931 4.101 . 0 0 "[ . 1 . 2]" 1
911 1 71 LEU H 1 72 GLN HA . . 5.500 5.095 5.082 5.120 . 0 0 "[ . 1 . 2]" 1
912 1 71 LEU H 1 72 GLN HB2 . . 4.320 4.406 4.388 4.416 0.096 10 0 "[ . 1 . 2]" 1
913 1 71 LEU H 1 73 ALA H . . 5.750 4.175 4.064 4.265 . 0 0 "[ . 1 . 2]" 1
914 1 71 LEU HA 1 73 ALA H . . 4.990 4.265 4.162 4.334 . 0 0 "[ . 1 . 2]" 1
915 1 71 LEU HA 1 73 ALA MB . . 5.520 4.569 4.477 4.721 . 0 0 "[ . 1 . 2]" 1
916 1 71 LEU HB2 1 72 GLN H . . 4.630 2.717 2.688 2.759 . 0 0 "[ . 1 . 2]" 1
917 1 71 LEU HB2 1 72 GLN HA . . 5.750 4.545 4.500 4.588 . 0 0 "[ . 1 . 2]" 1
918 1 71 LEU HB3 1 72 GLN HA . . 4.550 4.335 4.258 4.381 . 0 0 "[ . 1 . 2]" 1
919 1 71 LEU QD 1 74 LYS H . . 4.760 4.763 4.650 4.788 0.028 15 0 "[ . 1 . 2]" 1
920 1 71 LEU QD 1 74 LYS QB . . 4.290 4.072 3.933 4.176 . 0 0 "[ . 1 . 2]" 1
921 1 71 LEU QD 1 74 LYS QE . . 3.170 2.849 2.565 3.187 0.017 10 0 "[ . 1 . 2]" 1
922 1 71 LEU HG 1 72 GLN H . . 5.020 5.045 5.029 5.059 0.039 17 0 "[ . 1 . 2]" 1
923 1 72 GLN H 1 72 GLN HB2 . . 4.310 2.275 2.226 2.298 . 0 0 "[ . 1 . 2]" 1
924 1 72 GLN H 1 72 GLN QG . . 4.080 3.937 3.925 3.947 . 0 0 "[ . 1 . 2]" 1
925 1 72 GLN H 1 73 ALA H . . 5.750 2.907 2.837 2.973 . 0 0 "[ . 1 . 2]" 1
926 1 72 GLN H 1 74 LYS H . . 4.550 4.512 4.465 4.551 0.001 10 0 "[ . 1 . 2]" 1
927 1 72 GLN HA 1 72 GLN HG3 . . 4.310 2.851 2.687 3.221 . 0 0 "[ . 1 . 2]" 1
928 1 72 GLN HA 1 75 ILE H . . 5.750 3.408 3.331 3.513 . 0 0 "[ . 1 . 2]" 1
929 1 72 GLN HA 1 75 ILE HB . . 5.160 3.194 2.933 3.441 . 0 0 "[ . 1 . 2]" 1
930 1 72 GLN HA 1 75 ILE HG12 . . 4.830 3.603 3.441 3.783 . 0 0 "[ . 1 . 2]" 1
931 1 72 GLN HA 1 75 ILE HG13 . . 5.750 4.398 4.239 4.604 . 0 0 "[ . 1 . 2]" 1
932 1 72 GLN HB2 1 73 ALA H . . 4.090 3.894 3.852 3.933 . 0 0 "[ . 1 . 2]" 1
933 1 72 GLN HB3 1 73 ALA H . . 3.970 2.657 2.603 2.715 . 0 0 "[ . 1 . 2]" 1
934 1 72 GLN QG 1 75 ILE HB . . 3.930 3.957 3.929 3.983 0.053 2 0 "[ . 1 . 2]" 1
935 1 73 ALA H 1 74 LYS H . . 5.590 2.893 2.836 2.932 . 0 0 "[ . 1 . 2]" 1
936 1 73 ALA H 1 74 LYS QD . . 3.710 3.707 3.651 3.728 0.018 4 0 "[ . 1 . 2]" 1
937 1 73 ALA HA 1 76 LYS H . . 3.600 3.488 3.359 3.581 . 0 0 "[ . 1 . 2]" 1
938 1 73 ALA HA 1 76 LYS HB2 . . 4.820 2.571 2.270 4.430 . 0 0 "[ . 1 . 2]" 1
939 1 73 ALA HA 1 76 LYS QB . . 4.460 2.393 2.250 3.055 . 0 0 "[ . 1 . 2]" 1
940 1 73 ALA HA 1 76 LYS HB3 . . 4.300 3.590 2.300 4.019 . 0 0 "[ . 1 . 2]" 1
941 1 73 ALA HA 1 77 ALA H . . 3.800 3.835 3.757 3.895 0.095 4 0 "[ . 1 . 2]" 1
942 1 73 ALA MB 1 74 LYS H . . 4.740 2.687 2.591 2.828 . 0 0 "[ . 1 . 2]" 1
943 1 74 LYS H 1 74 LYS QD . . 3.390 1.907 1.858 2.005 . 0 0 "[ . 1 . 2]" 1
944 1 74 LYS H 1 75 ILE H . . 4.300 2.674 2.622 2.719 . 0 0 "[ . 1 . 2]" 1
945 1 74 LYS H 1 76 LYS H . . 5.750 4.127 4.019 4.236 . 0 0 "[ . 1 . 2]" 1
946 1 74 LYS HA 1 74 LYS HD2 . . 4.480 3.702 2.891 3.860 . 0 0 "[ . 1 . 2]" 1
947 1 74 LYS HA 1 74 LYS HD3 . . 4.300 4.496 3.767 4.596 0.296 11 0 "[ . 1 . 2]" 1
948 1 74 LYS HA 1 75 ILE MD . . 4.450 4.473 4.460 4.494 0.044 12 0 "[ . 1 . 2]" 1
949 1 74 LYS QD 1 75 ILE H . . 3.880 3.917 3.899 3.978 0.098 13 0 "[ . 1 . 2]" 1
950 1 75 ILE H 1 75 ILE HG12 . . 5.530 2.299 2.204 2.415 . 0 0 "[ . 1 . 2]" 1
951 1 75 ILE H 1 75 ILE MG . . 4.270 3.853 3.829 3.879 . 0 0 "[ . 1 . 2]" 1
952 1 75 ILE H 1 76 LYS QB . . 4.200 4.235 4.196 4.279 0.079 7 0 "[ . 1 . 2]" 1
953 1 75 ILE HA 1 75 ILE MD . . 3.940 2.203 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
954 1 75 ILE HA 1 75 ILE HG12 . . 4.160 3.366 3.332 3.400 . 0 0 "[ . 1 . 2]" 1
955 1 75 ILE HA 1 75 ILE HG13 . . 3.940 3.788 3.730 3.830 . 0 0 "[ . 1 . 2]" 1
956 1 75 ILE HA 1 78 ALA H . . 5.520 2.682 2.593 2.734 . 0 0 "[ . 1 . 2]" 1
957 1 75 ILE HA 1 78 ALA HA . . 4.250 4.394 4.339 4.416 0.166 2 0 "[ . 1 . 2]" 1
958 1 75 ILE HA 1 78 ALA MB . . 5.290 2.031 1.959 2.079 . 0 0 "[ . 1 . 2]" 1
959 1 75 ILE HA 1 79 GLN H . . 4.010 3.974 3.755 4.113 0.103 8 0 "[ . 1 . 2]" 1
960 1 75 ILE HB 1 78 ALA H . . 5.080 5.067 5.010 5.092 0.012 13 0 "[ . 1 . 2]" 1
961 1 75 ILE HB 1 78 ALA MB . . 4.510 4.423 4.381 4.489 . 0 0 "[ . 1 . 2]" 1
962 1 75 ILE HG12 1 75 ILE MG . . 3.750 3.213 3.208 3.218 . 0 0 "[ . 1 . 2]" 1
963 1 75 ILE MG 1 76 LYS H . . 4.570 3.814 3.645 3.950 . 0 0 "[ . 1 . 2]" 1
964 1 75 ILE MG 1 76 LYS HA . . 5.400 4.071 3.895 4.204 . 0 0 "[ . 1 . 2]" 1
965 1 75 ILE MG 1 78 ALA H . . 5.470 4.066 3.952 4.130 . 0 0 "[ . 1 . 2]" 1
966 1 76 LYS H 1 76 LYS QG . . 3.460 2.940 2.431 3.663 0.203 5 0 "[ . 1 . 2]" 1
967 1 76 LYS H 1 77 ALA H . . 5.580 2.675 2.577 2.744 . 0 0 "[ . 1 . 2]" 1
968 1 76 LYS HA 1 76 LYS QG . . 3.930 2.312 2.145 3.269 . 0 0 "[ . 1 . 2]" 1
969 1 76 LYS HA 1 77 ALA MB . . 5.590 5.040 4.999 5.061 . 0 0 "[ . 1 . 2]" 1
970 1 76 LYS HA 1 78 ALA MB . . 5.750 4.934 4.806 5.141 . 0 0 "[ . 1 . 2]" 1
971 1 76 LYS HA 1 79 GLN H . . 5.750 3.851 3.624 4.404 . 0 0 "[ . 1 . 2]" 1
972 1 76 LYS HA 1 79 GLN QB . . 4.330 3.336 2.967 4.340 0.010 12 0 "[ . 1 . 2]" 1
973 1 76 LYS HA 1 79 GLN QG . . 4.030 3.951 2.779 4.085 0.055 2 0 "[ . 1 . 2]" 1
974 1 76 LYS QB 1 77 ALA H . . 3.930 2.577 2.365 3.395 . 0 0 "[ . 1 . 2]" 1
975 1 78 ALA H 1 79 GLN H . . 4.820 2.511 2.384 2.635 . 0 0 "[ . 1 . 2]" 1
976 1 78 ALA H 1 79 GLN QB . . 4.320 4.360 4.328 4.415 0.095 8 0 "[ . 1 . 2]" 1
977 1 78 ALA H 1 79 GLN QG . . 4.540 4.345 3.727 4.573 0.033 17 0 "[ . 1 . 2]" 1
978 1 78 ALA HA 1 79 GLN QG . . 5.340 5.207 4.971 5.379 0.039 8 0 "[ . 1 . 2]" 1
979 1 78 ALA MB 1 79 GLN H . . 3.720 2.584 2.295 3.021 . 0 0 "[ . 1 . 2]" 1
980 1 79 GLN HA 1 79 GLN QG . . 3.720 2.959 2.448 3.375 . 0 0 "[ . 1 . 2]" 1
981 1 79 GLN HA 1 81 GLN H . . 4.800 3.738 3.121 4.733 . 0 0 "[ . 1 . 2]" 1
982 1 79 GLN QB 1 82 VAL H . . 4.740 4.057 3.033 4.766 0.026 8 0 "[ . 1 . 2]" 1
983 1 81 GLN H 1 81 GLN QG . . 4.710 2.700 1.841 4.002 . 0 0 "[ . 1 . 2]" 1
984 1 81 GLN H 1 82 VAL HA . . 5.320 5.324 4.924 5.392 0.072 10 0 "[ . 1 . 2]" 1
985 1 81 GLN HA 1 82 VAL H . . 5.160 3.391 2.410 3.541 . 0 0 "[ . 1 . 2]" 1
986 1 81 GLN QB 1 82 VAL H . . 5.290 3.343 2.790 3.914 . 0 0 "[ . 1 . 2]" 1
987 1 81 GLN QB 1 82 VAL HA . . 5.210 4.497 4.014 4.901 . 0 0 "[ . 1 . 2]" 1
988 1 81 GLN QB 1 82 VAL QG . . 5.750 3.421 2.537 4.508 . 0 0 "[ . 1 . 2]" 1
989 1 81 GLN QG 1 82 VAL H . . 4.380 3.855 2.633 4.439 0.059 13 0 "[ . 1 . 2]" 1
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