NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636841 |
6fvc   |
34240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fvc
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 1681
_Distance_constraint_stats_list.Viol_count 1193
_Distance_constraint_stats_list.Viol_total 1032.872
_Distance_constraint_stats_list.Viol_max 2.440
_Distance_constraint_stats_list.Viol_rms 0.1934
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0683
_Distance_constraint_stats_list.Viol_average_violations_only 0.2886
_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 2 ALA 0.000 0.000 . 0 "[ ]"
1 3 MET 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.407 0.150 3 0 "[ ]"
1 5 LYS 1.950 0.637 3 1 "[ +]"
1 6 ARG 4.206 0.650 1 2 "[+ -]"
1 7 PRO 3.033 0.650 1 1 "[+ ]"
1 8 ARG 3.382 0.401 3 0 "[ ]"
1 9 THR 11.435 1.844 3 3 [*-+]
1 10 ALA 1.916 0.378 3 0 "[ ]"
1 11 PHE 32.774 2.440 1 3 [+-*]
1 12 SER 14.558 1.000 3 2 "[ -+]"
1 13 SER 3.426 0.570 3 1 "[ +]"
1 14 GLU 4.768 0.823 2 1 "[ + ]"
1 15 GLN 26.268 1.481 3 3 [**+]
1 16 LEU 16.797 1.033 2 3 [-+*]
1 17 ALA 4.902 0.570 3 1 "[ +]"
1 18 ARG 17.928 1.704 2 3 [-+*]
1 19 LEU 19.832 1.009 2 3 [*+*]
1 20 LYS 22.378 1.232 3 3 [*-+]
1 21 ARG 8.844 0.948 3 3 [*-+]
1 22 GLU 12.205 0.738 1 3 [+*-]
1 23 PHE 19.970 0.992 3 3 [-*+]
1 24 ASN 16.301 1.232 3 3 [*-+]
1 25 GLU 3.431 0.574 1 1 "[+ ]"
1 26 ASN 3.070 0.478 3 0 "[ ]"
1 27 ARG 5.354 0.508 1 1 "[+ ]"
1 28 TYR 5.176 0.772 2 3 [-+*]
1 29 LEU 21.207 1.773 2 3 [*+*]
1 30 THR 8.165 0.780 1 3 [+-*]
1 31 GLU 2.876 0.760 3 2 "[ -+]"
1 32 ARG 5.615 0.780 1 1 "[+ ]"
1 33 ARG 12.549 1.773 2 3 [*+-]
1 34 ARG 22.082 1.104 2 3 [*+*]
1 35 GLN 4.050 0.705 3 2 "[- +]"
1 36 GLN 1.676 0.705 3 1 "[ +]"
1 37 LEU 13.445 1.080 1 3 [+**]
1 38 SER 11.407 0.916 1 3 [+**]
1 39 SER 1.369 0.483 1 0 "[ ]"
1 40 GLU 1.893 0.425 3 0 "[ ]"
1 41 LEU 46.705 2.440 1 3 [+*-]
1 42 GLY 7.366 0.815 3 3 [*-+]
1 43 LEU 32.796 1.219 1 3 [+-*]
1 44 ASN 14.663 1.339 2 3 [-+*]
1 45 GLU 11.446 0.966 3 3 [**+]
1 46 ALA 8.290 1.339 2 3 [-+*]
1 47 GLN 7.687 0.579 3 2 "[- +]"
1 48 ILE 22.008 0.687 1 3 [+-*]
1 49 LYS 15.187 1.427 2 3 [-+*]
1 50 ILE 11.184 2.325 3 2 "[ -+]"
1 51 TRP 28.438 0.969 3 3 [-*+]
1 52 PHE 14.076 0.587 2 2 "[ +-]"
1 53 GLN 9.458 1.968 3 3 [-*+]
1 54 ASN 13.243 2.325 3 3 [**+]
1 55 GLU 12.763 1.979 1 3 [+-*]
1 56 ARG 10.561 1.187 1 3 [+**]
1 57 ALA 1.813 0.444 1 0 "[ ]"
1 58 LYS 10.008 1.844 3 3 [**+]
1 59 ILE 5.178 0.969 3 2 "[* +]"
1 60 LYS 1.118 0.300 1 0 "[ ]"
1 61 LYS 5.342 0.870 3 3 [**+]
1 62 SER 0.855 0.417 2 0 "[ ]"
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 2 ALA MB 1 3 MET H . . 5.500 3.589 3.348 3.794 . 0 0 "[ ]" 1
2 1 3 MET H 1 3 MET HB2 . . 3.990 3.681 3.196 3.926 . 0 0 "[ ]" 1
3 1 3 MET H 1 3 MET QB . . 3.480 3.089 3.062 3.112 . 0 0 "[ ]" 1
4 1 3 MET H 1 3 MET HB3 . . 3.990 3.474 3.237 3.921 . 0 0 "[ ]" 1
5 1 3 MET H 1 3 MET HG2 . . 4.770 3.955 3.859 4.090 . 0 0 "[ ]" 1
6 1 3 MET H 1 3 MET QG . . 4.110 3.522 3.317 3.668 . 0 0 "[ ]" 1
7 1 3 MET H 1 3 MET HG3 . . 4.770 4.056 3.508 4.422 . 0 0 "[ ]" 1
8 1 3 MET H 1 4 GLU H . . 4.980 4.320 4.134 4.523 . 0 0 "[ ]" 1
9 1 3 MET HA 1 4 GLU H . . 3.350 2.322 2.100 2.526 . 0 0 "[ ]" 1
10 1 3 MET QB 1 4 GLU H . . 3.380 2.859 2.781 2.929 . 0 0 "[ ]" 1
11 1 3 MET QG 1 4 GLU H . . 4.850 3.915 3.513 4.272 . 0 0 "[ ]" 1
12 1 4 GLU H 1 4 GLU HB2 . . 3.950 3.266 3.146 3.372 . 0 0 "[ ]" 1
13 1 4 GLU H 1 4 GLU HB3 . . 3.950 2.821 2.614 3.139 . 0 0 "[ ]" 1
14 1 4 GLU H 1 4 GLU QG . . 4.110 4.161 4.081 4.246 0.136 1 0 "[ ]" 1
15 1 4 GLU HA 1 4 GLU QG . . 3.910 3.074 2.884 3.190 . 0 0 "[ ]" 1
16 1 4 GLU HA 1 5 LYS H . . 3.550 2.274 2.205 2.380 . 0 0 "[ ]" 1
17 1 4 GLU HA 1 5 LYS QB . . 4.820 4.205 3.942 4.372 . 0 0 "[ ]" 1
18 1 4 GLU QB 1 5 LYS H . . 3.750 3.728 3.567 3.900 0.150 3 0 "[ ]" 1
19 1 4 GLU HB2 1 5 LYS H . . 4.340 4.189 3.980 4.398 0.058 3 0 "[ ]" 1
20 1 4 GLU HB3 1 5 LYS H . . 4.340 4.181 4.029 4.358 0.018 3 0 "[ ]" 1
21 1 5 LYS H 1 5 LYS QB . . 3.130 2.644 2.522 2.812 . 0 0 "[ ]" 1
22 1 5 LYS H 1 5 LYS QD . . 4.110 4.126 3.914 4.372 0.262 3 0 "[ ]" 1
23 1 5 LYS H 1 5 LYS QG . . 4.090 2.366 2.240 2.499 . 0 0 "[ ]" 1
24 1 5 LYS HA 1 5 LYS QD . . 4.490 4.247 4.189 4.296 . 0 0 "[ ]" 1
25 1 5 LYS HA 1 5 LYS HG2 . . 4.090 3.853 3.824 3.885 . 0 0 "[ ]" 1
26 1 5 LYS HA 1 5 LYS QG . . 3.460 3.362 3.310 3.440 . 0 0 "[ ]" 1
27 1 5 LYS HA 1 5 LYS HG3 . . 4.090 3.713 3.587 3.873 . 0 0 "[ ]" 1
28 1 5 LYS HA 1 6 ARG H . . 2.720 2.871 2.385 3.357 0.637 3 1 "[ +]" 1
29 1 5 LYS HA 1 6 ARG QD . . 5.500 5.274 4.495 5.833 0.333 1 0 "[ ]" 1
30 1 5 LYS QB 1 6 ARG H . . 3.910 3.615 2.682 4.212 0.302 3 0 "[ ]" 1
31 1 6 ARG H 1 6 ARG QB . . 3.260 3.233 3.018 3.388 0.128 1 0 "[ ]" 1
32 1 6 ARG H 1 6 ARG QG . . 4.080 2.966 2.310 3.484 . 0 0 "[ ]" 1
33 1 6 ARG H 1 7 PRO HD2 . . 5.100 4.936 4.826 5.097 . 0 0 "[ ]" 1
34 1 6 ARG H 1 7 PRO HD3 . . 5.100 4.756 4.637 4.842 . 0 0 "[ ]" 1
35 1 6 ARG HA 1 6 ARG QD . . 4.510 4.009 3.843 4.275 . 0 0 "[ ]" 1
36 1 6 ARG HA 1 7 PRO HD2 . . 2.990 2.400 2.314 2.449 . 0 0 "[ ]" 1
37 1 6 ARG HA 1 7 PRO HD3 . . 2.990 2.538 2.250 2.839 . 0 0 "[ ]" 1
38 1 6 ARG HA 1 7 PRO HG2 . . 5.070 4.565 4.514 4.663 . 0 0 "[ ]" 1
39 1 6 ARG HA 1 7 PRO HG3 . . 5.420 4.700 4.589 4.852 . 0 0 "[ ]" 1
40 1 6 ARG QB 1 7 PRO QD . . 3.150 2.614 2.445 2.779 . 0 0 "[ ]" 1
41 1 6 ARG QB 1 7 PRO HG2 . . 3.800 4.294 4.188 4.450 0.650 1 1 "[+ ]" 1
42 1 6 ARG HB2 1 6 ARG QD . . 3.570 2.951 2.641 3.387 . 0 0 "[ ]" 1
43 1 6 ARG HB2 1 7 PRO HD2 . . 4.760 2.721 2.530 2.941 . 0 0 "[ ]" 1
44 1 6 ARG HB2 1 7 PRO HD3 . . 4.760 4.031 3.800 4.230 . 0 0 "[ ]" 1
45 1 6 ARG HB3 1 6 ARG QD . . 3.570 3.201 2.482 3.611 0.041 2 0 "[ ]" 1
46 1 6 ARG HB3 1 7 PRO HD2 . . 4.760 3.847 3.653 4.119 . 0 0 "[ ]" 1
47 1 6 ARG HB3 1 7 PRO HD3 . . 4.760 4.760 4.520 5.104 0.344 3 0 "[ ]" 1
48 1 6 ARG QD 1 7 PRO HD2 . . 5.230 4.684 4.428 5.162 . 0 0 "[ ]" 1
49 1 6 ARG QD 1 7 PRO QD . . 4.560 4.407 4.199 4.773 0.213 3 0 "[ ]" 1
50 1 6 ARG QD 1 7 PRO HD3 . . 5.230 5.393 5.215 5.621 0.391 3 0 "[ ]" 1
51 1 6 ARG QG 1 7 PRO QD . . 5.050 4.181 3.771 4.500 . 0 0 "[ ]" 1
52 1 7 PRO HA 1 8 ARG H . . 2.680 2.115 1.981 2.284 . 0 0 "[ ]" 1
53 1 7 PRO HA 1 8 ARG QG . . 5.140 4.374 4.238 4.497 . 0 0 "[ ]" 1
54 1 7 PRO QB 1 8 ARG H . . 3.720 3.290 3.181 3.396 . 0 0 "[ ]" 1
55 1 7 PRO HB2 1 8 ARG H . . 4.320 3.551 3.487 3.617 . 0 0 "[ ]" 1
56 1 7 PRO HB3 1 8 ARG H . . 4.320 3.896 3.672 4.117 . 0 0 "[ ]" 1
57 1 7 PRO HD2 1 8 ARG H . . 5.500 5.550 5.402 5.777 0.277 1 0 "[ ]" 1
58 1 7 PRO HD3 1 8 ARG H . . 5.500 5.460 5.164 5.663 0.163 1 0 "[ ]" 1
59 1 8 ARG H 1 8 ARG HB2 . . 3.880 4.018 3.965 4.063 0.183 2 0 "[ ]" 1
60 1 8 ARG H 1 8 ARG QB . . 3.200 3.102 3.019 3.173 . 0 0 "[ ]" 1
61 1 8 ARG H 1 8 ARG HB3 . . 3.880 3.228 3.130 3.322 . 0 0 "[ ]" 1
62 1 8 ARG H 1 8 ARG QD . . 4.670 4.102 3.771 4.314 . 0 0 "[ ]" 1
63 1 8 ARG H 1 8 ARG HG2 . . 4.220 3.805 2.603 4.426 0.206 2 0 "[ ]" 1
64 1 8 ARG H 1 8 ARG HG3 . . 4.220 3.353 3.085 3.813 . 0 0 "[ ]" 1
65 1 8 ARG H 1 9 THR H . . 4.630 4.422 4.122 4.702 0.072 3 0 "[ ]" 1
66 1 8 ARG H 1 9 THR MG . . 5.500 5.373 4.883 5.744 0.244 2 0 "[ ]" 1
67 1 8 ARG HA 1 8 ARG QD . . 4.130 4.252 3.968 4.531 0.401 3 0 "[ ]" 1
68 1 8 ARG HA 1 8 ARG HG2 . . 4.230 4.032 3.669 4.304 0.074 1 0 "[ ]" 1
69 1 8 ARG HA 1 8 ARG QG . . 3.650 3.534 3.333 3.665 0.015 1 0 "[ ]" 1
70 1 8 ARG HA 1 8 ARG HG3 . . 4.230 3.923 3.824 3.974 . 0 0 "[ ]" 1
71 1 8 ARG HA 1 9 THR H . . 3.470 2.298 2.173 2.382 . 0 0 "[ ]" 1
72 1 8 ARG HA 1 9 THR MG . . 4.790 4.212 4.072 4.378 . 0 0 "[ ]" 1
73 1 8 ARG QB 1 8 ARG QD . . 3.390 2.780 2.503 2.926 . 0 0 "[ ]" 1
74 1 8 ARG QB 1 9 THR H . . 4.320 3.030 2.818 3.439 . 0 0 "[ ]" 1
75 1 8 ARG QB 1 9 THR HA . . 5.340 4.899 4.528 5.216 . 0 0 "[ ]" 1
76 1 8 ARG QB 1 9 THR MG . . 4.920 5.027 4.777 5.267 0.347 1 0 "[ ]" 1
77 1 8 ARG HB2 1 8 ARG QD . . 3.910 3.137 3.048 3.221 . 0 0 "[ ]" 1
78 1 8 ARG HB3 1 8 ARG QD . . 3.910 3.261 2.608 3.686 . 0 0 "[ ]" 1
79 1 8 ARG QG 1 9 THR H . . 4.450 4.399 4.026 4.608 0.158 1 0 "[ ]" 1
80 1 8 ARG HG2 1 9 THR H . . 5.100 5.155 4.977 5.437 0.337 1 0 "[ ]" 1
81 1 8 ARG HG3 1 9 THR H . . 5.100 4.810 4.253 5.200 0.100 2 0 "[ ]" 1
82 1 9 THR H 1 9 THR MG . . 3.350 2.726 2.568 2.913 . 0 0 "[ ]" 1
83 1 9 THR HA 1 9 THR MG . . 2.860 2.275 2.122 2.386 . 0 0 "[ ]" 1
84 1 9 THR HA 1 10 ALA H . . 3.490 2.237 2.136 2.394 . 0 0 "[ ]" 1
85 1 9 THR HA 1 10 ALA MB . . 4.210 4.012 3.877 4.246 0.036 3 0 "[ ]" 1
86 1 9 THR HA 1 11 PHE H . . 5.110 4.421 4.329 4.580 . 0 0 "[ ]" 1
87 1 9 THR HA 1 11 PHE QD . . 4.930 4.267 4.089 4.539 . 0 0 "[ ]" 1
88 1 9 THR HA 1 11 PHE QE . . 4.900 5.286 5.205 5.402 0.502 2 1 "[ + ]" 1
89 1 9 THR HA 1 51 TRP HD1 . . 5.500 6.124 5.506 6.440 0.940 3 2 "[ -+]" 1
90 1 9 THR HB 1 10 ALA H . . 3.660 3.244 3.154 3.357 . 0 0 "[ ]" 1
91 1 9 THR HB 1 10 ALA MB . . 5.370 4.797 4.727 4.904 . 0 0 "[ ]" 1
92 1 9 THR HB 1 11 PHE H . . 3.670 3.596 3.501 3.724 0.054 1 0 "[ ]" 1
93 1 9 THR HB 1 11 PHE QD . . 3.440 3.010 2.711 3.388 . 0 0 "[ ]" 1
94 1 9 THR HB 1 11 PHE QE . . 4.940 4.203 3.966 4.325 . 0 0 "[ ]" 1
95 1 9 THR HB 1 51 TRP HE1 . . 5.030 4.527 4.163 4.986 . 0 0 "[ ]" 1
96 1 9 THR MG 1 10 ALA HA . . 5.500 5.688 5.632 5.728 0.228 2 0 "[ ]" 1
97 1 9 THR MG 1 11 PHE H . . 4.550 4.924 4.824 4.977 0.427 2 0 "[ ]" 1
98 1 9 THR MG 1 11 PHE QE . . 5.150 4.612 4.559 4.643 . 0 0 "[ ]" 1
99 1 9 THR MG 1 16 LEU MD1 . . 4.250 4.049 3.607 4.357 0.107 2 0 "[ ]" 1
100 1 9 THR MG 1 16 LEU QD . . 3.710 3.498 3.303 3.766 0.056 2 0 "[ ]" 1
101 1 9 THR MG 1 16 LEU MD2 . . 4.250 3.950 3.459 4.269 0.019 3 0 "[ ]" 1
102 1 9 THR MG 1 51 TRP QB . . 5.500 5.401 4.956 5.790 0.290 3 0 "[ ]" 1
103 1 9 THR MG 1 51 TRP HD1 . . 3.900 3.526 2.935 3.970 0.070 3 0 "[ ]" 1
104 1 9 THR MG 1 58 LYS QG . . 4.020 5.552 5.265 5.864 1.844 3 3 [*-+] 1
105 1 10 ALA H 1 10 ALA MB . . 2.930 2.266 2.173 2.421 . 0 0 "[ ]" 1
106 1 10 ALA H 1 11 PHE H . . 3.520 3.576 3.437 3.796 0.276 1 0 "[ ]" 1
107 1 10 ALA H 1 11 PHE QD . . 3.950 3.111 2.933 3.319 . 0 0 "[ ]" 1
108 1 10 ALA H 1 11 PHE QE . . 5.140 4.403 4.356 4.480 . 0 0 "[ ]" 1
109 1 10 ALA H 1 47 GLN QE . . 5.500 5.628 5.537 5.793 0.293 1 0 "[ ]" 1
110 1 10 ALA HA 1 11 PHE H . . 3.140 2.560 2.405 2.703 . 0 0 "[ ]" 1
111 1 10 ALA HA 1 11 PHE HB2 . . 5.400 4.984 4.898 5.082 . 0 0 "[ ]" 1
112 1 10 ALA HA 1 11 PHE QD . . 4.290 4.291 4.249 4.341 0.051 2 0 "[ ]" 1
113 1 10 ALA MB 1 11 PHE H . . 3.830 3.760 3.618 3.861 0.031 1 0 "[ ]" 1
114 1 10 ALA MB 1 11 PHE HA . . 4.560 4.587 4.477 4.728 0.168 3 0 "[ ]" 1
115 1 10 ALA MB 1 11 PHE HB2 . . 5.420 5.262 5.197 5.383 . 0 0 "[ ]" 1
116 1 10 ALA MB 1 11 PHE QD . . 3.700 3.503 3.295 3.727 0.027 3 0 "[ ]" 1
117 1 10 ALA MB 1 11 PHE QE . . 4.460 4.469 4.268 4.838 0.378 3 0 "[ ]" 1
118 1 10 ALA MB 1 47 GLN QE . . 4.820 4.111 4.057 4.197 . 0 0 "[ ]" 1
119 1 11 PHE H 1 11 PHE HB2 . . 3.200 2.565 2.539 2.582 . 0 0 "[ ]" 1
120 1 11 PHE H 1 11 PHE HB3 . . 3.790 3.617 3.546 3.665 . 0 0 "[ ]" 1
121 1 11 PHE H 1 11 PHE QD . . 3.590 3.194 3.123 3.322 . 0 0 "[ ]" 1
122 1 11 PHE H 1 11 PHE QE . . 4.990 5.417 5.207 5.557 0.567 1 1 "[+ ]" 1
123 1 11 PHE H 1 12 SER H . . 4.430 4.414 4.330 4.569 0.139 2 0 "[ ]" 1
124 1 11 PHE H 1 16 LEU QD . . 4.700 4.144 4.012 4.314 . 0 0 "[ ]" 1
125 1 11 PHE HA 1 11 PHE QD . . 3.220 3.257 3.222 3.291 0.071 2 0 "[ ]" 1
126 1 11 PHE HA 1 11 PHE QE . . 4.710 4.972 4.922 5.071 0.361 3 0 "[ ]" 1
127 1 11 PHE HA 1 12 SER H . . 2.810 2.418 2.279 2.556 . 0 0 "[ ]" 1
128 1 11 PHE HA 1 12 SER QB . . 4.710 4.273 4.014 4.476 . 0 0 "[ ]" 1
129 1 11 PHE HA 1 15 GLN QB . . 4.880 4.173 4.029 4.255 . 0 0 "[ ]" 1
130 1 11 PHE HA 1 16 LEU MD1 . . 5.100 5.282 5.130 5.374 0.274 1 0 "[ ]" 1
131 1 11 PHE HA 1 16 LEU QD . . 4.320 4.504 4.378 4.627 0.307 1 0 "[ ]" 1
132 1 11 PHE HA 1 16 LEU MD2 . . 5.100 4.898 4.650 5.048 . 0 0 "[ ]" 1
133 1 11 PHE HA 1 43 LEU QD . . 4.660 4.324 4.071 4.504 . 0 0 "[ ]" 1
134 1 11 PHE HB2 1 12 SER H . . 3.760 3.869 3.696 4.057 0.297 3 0 "[ ]" 1
135 1 11 PHE HB2 1 12 SER HA . . 5.030 5.283 5.119 5.386 0.356 1 0 "[ ]" 1
136 1 11 PHE HB2 1 15 GLN QB . . 4.520 4.850 4.835 4.871 0.351 3 0 "[ ]" 1
137 1 11 PHE HB2 1 16 LEU QB . . 5.350 5.184 5.060 5.318 . 0 0 "[ ]" 1
138 1 11 PHE HB2 1 16 LEU MD1 . . 3.710 3.010 2.908 3.154 . 0 0 "[ ]" 1
139 1 11 PHE HB2 1 16 LEU QD . . 3.190 2.536 2.526 2.541 . 0 0 "[ ]" 1
140 1 11 PHE HB2 1 16 LEU MD2 . . 3.710 2.738 2.680 2.773 . 0 0 "[ ]" 1
141 1 11 PHE HB2 1 16 LEU HG . . 3.870 3.276 3.150 3.365 . 0 0 "[ ]" 1
142 1 11 PHE HB2 1 19 LEU QD . . 4.980 4.980 4.838 5.119 0.139 3 0 "[ ]" 1
143 1 11 PHE HB3 1 12 SER H . . 3.420 2.575 2.377 2.904 . 0 0 "[ ]" 1
144 1 11 PHE HB3 1 12 SER QB . . 5.100 4.966 4.853 5.168 0.068 3 0 "[ ]" 1
145 1 11 PHE HB3 1 15 GLN H . . 4.950 5.364 5.249 5.573 0.623 2 1 "[ + ]" 1
146 1 11 PHE HB3 1 15 GLN QB . . 4.170 3.337 3.260 3.376 . 0 0 "[ ]" 1
147 1 11 PHE HB3 1 16 LEU H . . 4.650 4.305 4.170 4.375 . 0 0 "[ ]" 1
148 1 11 PHE HB3 1 16 LEU HA . . 5.410 5.028 4.986 5.070 . 0 0 "[ ]" 1
149 1 11 PHE HB3 1 16 LEU MD1 . . 4.080 3.476 3.381 3.585 . 0 0 "[ ]" 1
150 1 11 PHE HB3 1 16 LEU QD . . 3.470 2.719 2.534 2.868 . 0 0 "[ ]" 1
151 1 11 PHE HB3 1 16 LEU MD2 . . 4.080 2.848 2.606 3.017 . 0 0 "[ ]" 1
152 1 11 PHE HB3 1 43 LEU QD . . 5.230 4.483 4.338 4.558 . 0 0 "[ ]" 1
153 1 11 PHE QD 1 12 SER H . . 3.890 4.014 3.795 4.316 0.426 3 0 "[ ]" 1
154 1 11 PHE QD 1 15 GLN HA . . 5.460 5.560 5.382 5.683 0.223 3 0 "[ ]" 1
155 1 11 PHE QD 1 15 GLN HB2 . . 4.560 3.747 3.601 3.991 . 0 0 "[ ]" 1
156 1 11 PHE QD 1 15 GLN QB . . 3.890 3.068 2.811 3.208 . 0 0 "[ ]" 1
157 1 11 PHE QD 1 15 GLN HB3 . . 4.560 3.279 2.934 3.555 . 0 0 "[ ]" 1
158 1 11 PHE QD 1 15 GLN QE . . 5.500 5.157 5.037 5.224 . 0 0 "[ ]" 1
159 1 11 PHE QD 1 16 LEU H . . 4.820 4.709 4.641 4.776 . 0 0 "[ ]" 1
160 1 11 PHE QD 1 16 LEU HA . . 4.260 4.396 4.331 4.523 0.263 2 0 "[ ]" 1
161 1 11 PHE QD 1 16 LEU QB . . 5.500 5.071 4.928 5.211 . 0 0 "[ ]" 1
162 1 11 PHE QD 1 16 LEU MD1 . . 4.270 4.374 4.152 4.568 0.298 1 0 "[ ]" 1
163 1 11 PHE QD 1 16 LEU QD . . 2.790 2.643 2.258 2.939 0.149 1 0 "[ ]" 1
164 1 11 PHE QD 1 16 LEU MD2 . . 4.270 2.667 2.268 2.975 . 0 0 "[ ]" 1
165 1 11 PHE QD 1 16 LEU HG . . 4.550 3.791 3.701 3.848 . 0 0 "[ ]" 1
166 1 11 PHE QD 1 19 LEU QB . . 4.840 4.970 4.864 5.097 0.257 3 0 "[ ]" 1
167 1 11 PHE QD 1 19 LEU QD . . 2.890 2.714 2.692 2.755 . 0 0 "[ ]" 1
168 1 11 PHE QD 1 19 LEU HG . . 5.480 5.011 4.822 5.166 . 0 0 "[ ]" 1
169 1 11 PHE QD 1 41 LEU QD . . 4.750 4.764 4.597 4.894 0.144 1 0 "[ ]" 1
170 1 11 PHE QD 1 41 LEU HG . . 5.500 7.884 7.809 7.940 2.440 1 3 [+-*] 1
171 1 11 PHE QD 1 43 LEU QB . . 5.500 5.603 5.526 5.664 0.164 1 0 "[ ]" 1
172 1 11 PHE QD 1 43 LEU QD . . 3.030 3.028 2.892 3.136 0.106 2 0 "[ ]" 1
173 1 11 PHE QE 1 12 SER H . . 5.500 6.077 5.913 6.372 0.872 3 1 "[ +]" 1
174 1 11 PHE QE 1 16 LEU QD . . 3.880 3.656 3.344 3.860 . 0 0 "[ ]" 1
175 1 11 PHE QE 1 19 LEU QB . . 5.400 4.988 4.934 5.089 . 0 0 "[ ]" 1
176 1 11 PHE QE 1 19 LEU QD . . 3.070 2.252 2.184 2.344 . 0 0 "[ ]" 1
177 1 11 PHE QE 1 41 LEU QD . . 5.440 4.749 4.477 4.899 . 0 0 "[ ]" 1
178 1 11 PHE QE 1 43 LEU QB . . 5.130 4.478 4.424 4.512 . 0 0 "[ ]" 1
179 1 11 PHE QE 1 43 LEU QD . . 3.190 2.399 2.286 2.539 . 0 0 "[ ]" 1
180 1 11 PHE QE 1 43 LEU HG . . 4.740 5.045 4.987 5.102 0.362 2 0 "[ ]" 1
181 1 11 PHE QE 1 47 GLN HA . . 4.660 4.770 4.514 4.911 0.251 2 0 "[ ]" 1
182 1 11 PHE QE 1 47 GLN QB . . 4.000 3.544 3.459 3.692 . 0 0 "[ ]" 1
183 1 11 PHE QE 1 47 GLN QE . . 4.170 3.343 2.864 3.696 . 0 0 "[ ]" 1
184 1 11 PHE QE 1 47 GLN QG . . 5.500 4.761 4.730 4.795 . 0 0 "[ ]" 1
185 1 11 PHE QE 1 48 ILE HA . . 4.530 4.394 4.289 4.457 . 0 0 "[ ]" 1
186 1 11 PHE QE 1 48 ILE QG . . 4.260 4.151 4.109 4.205 . 0 0 "[ ]" 1
187 1 11 PHE QE 1 48 ILE MG . . 5.470 5.265 5.131 5.451 . 0 0 "[ ]" 1
188 1 11 PHE QE 1 50 ILE MG . . 5.500 5.403 5.332 5.526 0.026 1 0 "[ ]" 1
189 1 11 PHE QE 1 51 TRP H . . 5.500 5.089 4.964 5.292 . 0 0 "[ ]" 1
190 1 11 PHE QE 1 51 TRP HA . . 5.320 5.045 4.943 5.231 . 0 0 "[ ]" 1
191 1 11 PHE QE 1 51 TRP QB . . 3.940 3.274 3.197 3.388 . 0 0 "[ ]" 1
192 1 11 PHE QE 1 51 TRP HE1 . . 4.660 4.972 4.939 4.993 0.333 1 0 "[ ]" 1
193 1 11 PHE HZ 1 19 LEU QD . . 3.900 3.958 3.930 4.006 0.106 1 0 "[ ]" 1
194 1 11 PHE HZ 1 43 LEU QD . . 3.970 3.183 3.061 3.316 . 0 0 "[ ]" 1
195 1 11 PHE HZ 1 47 GLN H . . 5.500 5.970 5.844 6.079 0.579 3 1 "[ +]" 1
196 1 11 PHE HZ 1 47 GLN QB . . 3.500 2.589 2.493 2.656 . 0 0 "[ ]" 1
197 1 11 PHE HZ 1 47 GLN QG . . 5.410 4.642 4.544 4.717 . 0 0 "[ ]" 1
198 1 11 PHE HZ 1 48 ILE HA . . 4.120 4.152 3.937 4.376 0.256 3 0 "[ ]" 1
199 1 11 PHE HZ 1 48 ILE MG . . 5.290 5.797 5.600 5.968 0.678 3 2 "[ -+]" 1
200 1 11 PHE HZ 1 49 LYS H . . 5.500 6.736 6.587 6.927 1.427 2 3 [-+*] 1
201 1 11 PHE HZ 1 51 TRP H . . 4.260 4.213 4.095 4.306 0.046 2 0 "[ ]" 1
202 1 11 PHE HZ 1 51 TRP QB . . 3.770 2.594 2.475 2.675 . 0 0 "[ ]" 1
203 1 11 PHE HZ 1 51 TRP HD1 . . 3.560 3.563 3.390 3.905 0.345 1 0 "[ ]" 1
204 1 11 PHE HZ 1 51 TRP HE1 . . 5.500 5.808 5.676 6.008 0.508 1 1 "[+ ]" 1
205 1 12 SER H 1 12 SER QB . . 3.030 2.705 2.625 2.751 . 0 0 "[ ]" 1
206 1 12 SER H 1 15 GLN H . . 3.790 3.961 3.811 4.062 0.272 2 0 "[ ]" 1
207 1 12 SER H 1 15 GLN HA . . 5.300 5.472 5.347 5.603 0.303 3 0 "[ ]" 1
208 1 12 SER H 1 15 GLN HB2 . . 3.810 2.549 2.403 2.680 . 0 0 "[ ]" 1
209 1 12 SER H 1 15 GLN QB . . 3.200 2.517 2.372 2.642 . 0 0 "[ ]" 1
210 1 12 SER H 1 15 GLN HB3 . . 3.810 3.919 3.654 4.104 0.294 2 0 "[ ]" 1
211 1 12 SER H 1 15 GLN QE . . 5.100 4.220 3.755 4.532 . 0 0 "[ ]" 1
212 1 12 SER H 1 15 GLN HG2 . . 4.920 4.810 4.734 4.870 . 0 0 "[ ]" 1
213 1 12 SER H 1 15 GLN QG . . 4.040 3.999 3.910 4.064 0.024 3 0 "[ ]" 1
214 1 12 SER H 1 15 GLN HG3 . . 4.920 4.282 4.132 4.426 . 0 0 "[ ]" 1
215 1 12 SER H 1 16 LEU H . . 4.050 4.277 4.090 4.515 0.465 3 0 "[ ]" 1
216 1 12 SER H 1 16 LEU QB . . 5.500 5.476 5.023 5.866 0.366 3 0 "[ ]" 1
217 1 12 SER H 1 16 LEU MD1 . . 4.350 4.859 4.517 5.350 1.000 3 1 "[ +]" 1
218 1 12 SER H 1 16 LEU MD2 . . 4.350 4.736 4.642 4.814 0.464 3 0 "[ ]" 1
219 1 12 SER H 1 16 LEU HG . . 4.970 4.037 3.732 4.418 . 0 0 "[ ]" 1
220 1 12 SER H 1 19 LEU QD . . 5.120 5.681 5.440 6.046 0.926 3 1 "[ +]" 1
221 1 12 SER H 1 43 LEU QD . . 4.730 4.775 4.684 4.826 0.096 2 0 "[ ]" 1
222 1 12 SER HA 1 13 SER H . . 2.730 2.386 2.307 2.433 . 0 0 "[ ]" 1
223 1 12 SER HA 1 13 SER HA . . 4.800 4.353 4.088 4.540 . 0 0 "[ ]" 1
224 1 12 SER HA 1 13 SER QB . . 5.330 4.871 4.789 4.919 . 0 0 "[ ]" 1
225 1 12 SER HA 1 14 GLU H . . 4.570 4.419 4.274 4.515 . 0 0 "[ ]" 1
226 1 12 SER HA 1 15 GLN H . . 4.820 4.658 4.483 4.875 0.055 2 0 "[ ]" 1
227 1 12 SER HA 1 15 GLN QB . . 4.760 4.621 4.472 4.803 0.043 2 0 "[ ]" 1
228 1 12 SER HA 1 16 LEU QD . . 5.040 4.647 4.291 5.064 0.024 3 0 "[ ]" 1
229 1 12 SER QB 1 13 SER H . . 3.110 2.575 2.429 2.661 . 0 0 "[ ]" 1
230 1 12 SER QB 1 13 SER HA . . 5.340 4.819 4.765 4.925 . 0 0 "[ ]" 1
231 1 12 SER QB 1 13 SER QB . . 5.180 4.547 4.393 4.773 . 0 0 "[ ]" 1
232 1 12 SER QB 1 14 GLU H . . 3.490 3.200 3.079 3.411 . 0 0 "[ ]" 1
233 1 12 SER QB 1 14 GLU HB2 . . 4.270 4.659 4.476 4.997 0.727 2 1 "[ + ]" 1
234 1 12 SER QB 1 14 GLU HB3 . . 4.210 4.180 3.959 4.421 0.211 2 0 "[ ]" 1
235 1 12 SER QB 1 15 GLN H . . 3.260 3.596 3.485 3.816 0.556 2 1 "[ + ]" 1
236 1 12 SER QB 1 15 GLN QB . . 4.700 3.778 3.591 4.065 . 0 0 "[ ]" 1
237 1 12 SER QB 1 15 GLN QE . . 5.340 4.395 4.252 4.542 . 0 0 "[ ]" 1
238 1 12 SER QB 1 15 GLN QG . . 4.530 3.900 3.804 3.965 . 0 0 "[ ]" 1
239 1 12 SER QB 1 16 LEU H . . 5.210 5.020 4.981 5.054 . 0 0 "[ ]" 1
240 1 12 SER HB2 1 14 GLU H . . 4.140 3.267 3.148 3.474 . 0 0 "[ ]" 1
241 1 12 SER HB3 1 14 GLU H . . 4.140 4.581 4.363 4.963 0.823 2 1 "[ + ]" 1
242 1 13 SER H 1 13 SER HB2 . . 3.640 2.863 2.636 2.991 . 0 0 "[ ]" 1
243 1 13 SER H 1 13 SER QB . . 2.950 2.756 2.583 2.859 . 0 0 "[ ]" 1
244 1 13 SER H 1 13 SER HB3 . . 3.640 3.634 3.570 3.695 0.055 1 0 "[ ]" 1
245 1 13 SER H 1 14 GLU H . . 3.520 2.811 2.696 2.932 . 0 0 "[ ]" 1
246 1 13 SER H 1 14 GLU HA . . 5.500 5.409 5.219 5.527 0.027 2 0 "[ ]" 1
247 1 13 SER H 1 14 GLU HB2 . . 4.880 4.995 4.860 5.065 0.185 2 0 "[ ]" 1
248 1 13 SER H 1 14 GLU HB3 . . 5.500 5.184 5.053 5.298 . 0 0 "[ ]" 1
249 1 13 SER H 1 17 ALA H . . 5.500 5.999 5.958 6.070 0.570 3 1 "[ +]" 1
250 1 13 SER HA 1 15 GLN H . . 4.620 4.315 4.234 4.412 . 0 0 "[ ]" 1
251 1 13 SER HA 1 15 GLN QB . . 5.340 5.189 5.150 5.236 . 0 0 "[ ]" 1
252 1 13 SER HA 1 16 LEU H . . 3.560 3.401 3.271 3.518 . 0 0 "[ ]" 1
253 1 13 SER HA 1 16 LEU HA . . 5.500 5.503 5.465 5.523 0.023 3 0 "[ ]" 1
254 1 13 SER HA 1 16 LEU QB . . 3.470 2.732 2.512 2.851 . 0 0 "[ ]" 1
255 1 13 SER HA 1 16 LEU QD . . 3.800 3.309 3.087 3.669 . 0 0 "[ ]" 1
256 1 13 SER HA 1 17 ALA H . . 3.830 3.932 3.799 4.186 0.356 3 0 "[ ]" 1
257 1 13 SER HA 1 17 ALA MB . . 4.170 4.504 4.411 4.595 0.425 3 0 "[ ]" 1
258 1 13 SER QB 1 14 GLU H . . 3.040 2.874 2.798 2.928 . 0 0 "[ ]" 1
259 1 13 SER QB 1 14 GLU HA . . 4.030 3.946 3.792 4.107 0.077 2 0 "[ ]" 1
260 1 13 SER QB 1 14 GLU HB2 . . 4.350 4.153 3.946 4.282 . 0 0 "[ ]" 1
261 1 13 SER QB 1 16 LEU H . . 5.340 4.892 4.813 4.953 . 0 0 "[ ]" 1
262 1 13 SER QB 1 16 LEU QB . . 5.340 4.332 4.080 4.552 . 0 0 "[ ]" 1
263 1 13 SER QB 1 17 ALA MB . . 4.550 3.982 3.922 4.057 . 0 0 "[ ]" 1
264 1 14 GLU H 1 14 GLU HB2 . . 3.100 2.374 2.317 2.422 . 0 0 "[ ]" 1
265 1 14 GLU H 1 14 GLU HB3 . . 3.280 2.593 2.536 2.623 . 0 0 "[ ]" 1
266 1 14 GLU H 1 14 GLU HG2 . . 4.700 4.518 4.492 4.543 . 0 0 "[ ]" 1
267 1 14 GLU H 1 14 GLU QG . . 4.040 4.049 3.981 4.091 0.051 2 0 "[ ]" 1
268 1 14 GLU H 1 14 GLU HG3 . . 4.700 4.578 4.423 4.668 . 0 0 "[ ]" 1
269 1 14 GLU H 1 15 GLN H . . 3.260 2.569 2.483 2.619 . 0 0 "[ ]" 1
270 1 14 GLU H 1 15 GLN HA . . 5.200 5.204 5.079 5.312 0.112 1 0 "[ ]" 1
271 1 14 GLU H 1 15 GLN QB . . 5.030 4.581 4.419 4.766 . 0 0 "[ ]" 1
272 1 14 GLU H 1 15 GLN QG . . 5.040 4.661 4.401 4.891 . 0 0 "[ ]" 1
273 1 14 GLU H 1 16 LEU H . . 4.390 4.176 4.104 4.297 . 0 0 "[ ]" 1
274 1 14 GLU H 1 17 ALA H . . 4.660 4.687 4.553 4.819 0.159 1 0 "[ ]" 1
275 1 14 GLU H 1 17 ALA MB . . 4.570 4.664 4.622 4.692 0.122 1 0 "[ ]" 1
276 1 14 GLU HA 1 14 GLU HG2 . . 3.580 3.760 3.726 3.791 0.211 2 0 "[ ]" 1
277 1 14 GLU HA 1 14 GLU QG . . 3.090 3.038 2.885 3.202 0.112 1 0 "[ ]" 1
278 1 14 GLU HA 1 14 GLU HG3 . . 3.580 3.218 3.004 3.466 . 0 0 "[ ]" 1
279 1 14 GLU HA 1 17 ALA H . . 3.940 3.422 3.024 3.814 . 0 0 "[ ]" 1
280 1 14 GLU HA 1 17 ALA MB . . 2.790 2.598 2.452 2.775 . 0 0 "[ ]" 1
281 1 14 GLU HB2 1 15 GLN H . . 3.840 3.885 3.746 3.973 0.133 1 0 "[ ]" 1
282 1 14 GLU HB2 1 17 ALA MB . . 5.140 4.802 4.688 5.024 . 0 0 "[ ]" 1
283 1 14 GLU HB3 1 15 GLN H . . 3.700 2.780 2.538 2.912 . 0 0 "[ ]" 1
284 1 14 GLU HB3 1 15 GLN HA . . 4.650 4.284 4.149 4.513 . 0 0 "[ ]" 1
285 1 14 GLU QG 1 15 GLN H . . 5.050 4.103 3.864 4.259 . 0 0 "[ ]" 1
286 1 14 GLU QG 1 17 ALA MB . . 4.580 4.304 3.944 4.604 0.024 1 0 "[ ]" 1
287 1 15 GLN H 1 15 GLN HB2 . . 3.680 2.391 2.243 2.626 . 0 0 "[ ]" 1
288 1 15 GLN H 1 15 GLN QB . . 3.130 2.356 2.218 2.577 . 0 0 "[ ]" 1
289 1 15 GLN H 1 15 GLN HB3 . . 3.680 3.574 3.492 3.736 0.056 2 0 "[ ]" 1
290 1 15 GLN H 1 15 GLN QE . . 5.500 5.221 5.061 5.334 . 0 0 "[ ]" 1
291 1 15 GLN H 1 15 GLN HG2 . . 4.030 3.976 3.637 4.277 0.247 3 0 "[ ]" 1
292 1 15 GLN H 1 15 GLN QG . . 3.260 2.723 2.340 3.036 . 0 0 "[ ]" 1
293 1 15 GLN H 1 15 GLN HG3 . . 4.030 2.775 2.369 3.106 . 0 0 "[ ]" 1
294 1 15 GLN H 1 16 LEU H . . 3.110 2.612 2.569 2.673 . 0 0 "[ ]" 1
295 1 15 GLN H 1 16 LEU HA . . 5.180 5.350 5.283 5.407 0.227 2 0 "[ ]" 1
296 1 15 GLN H 1 16 LEU QB . . 5.040 4.652 4.443 4.814 . 0 0 "[ ]" 1
297 1 15 GLN H 1 16 LEU HG . . 5.500 4.887 4.743 5.020 . 0 0 "[ ]" 1
298 1 15 GLN H 1 17 ALA H . . 4.000 4.007 3.873 4.238 0.238 2 0 "[ ]" 1
299 1 15 GLN H 1 41 LEU QD . . 4.780 4.944 4.815 5.016 0.236 3 0 "[ ]" 1
300 1 15 GLN HA 1 15 GLN QE . . 4.940 4.802 4.503 4.981 0.041 3 0 "[ ]" 1
301 1 15 GLN HA 1 15 GLN HG2 . . 3.570 2.709 2.310 3.015 . 0 0 "[ ]" 1
302 1 15 GLN HA 1 15 GLN HG3 . . 3.570 2.805 2.696 2.966 . 0 0 "[ ]" 1
303 1 15 GLN HA 1 17 ALA H . . 4.650 4.357 4.145 4.778 0.128 2 0 "[ ]" 1
304 1 15 GLN HA 1 18 ARG H . . 4.320 4.102 3.963 4.255 . 0 0 "[ ]" 1
305 1 15 GLN HA 1 18 ARG QB . . 4.960 4.129 3.928 4.308 . 0 0 "[ ]" 1
306 1 15 GLN HA 1 19 LEU H . . 4.740 4.883 4.749 5.070 0.330 3 0 "[ ]" 1
307 1 15 GLN HA 1 19 LEU HG . . 4.950 5.065 4.838 5.320 0.370 3 0 "[ ]" 1
308 1 15 GLN HA 1 41 LEU HA . . 4.670 5.282 4.982 5.782 1.112 1 1 "[+ ]" 1
309 1 15 GLN HA 1 41 LEU HB2 . . 5.170 5.230 5.159 5.299 0.129 2 0 "[ ]" 1
310 1 15 GLN HA 1 41 LEU QD . . 3.000 2.729 2.625 2.839 . 0 0 "[ ]" 1
311 1 15 GLN HA 1 41 LEU HG . . 4.550 5.589 5.576 5.613 1.063 3 3 [*-+] 1
312 1 15 GLN HA 1 43 LEU QD . . 5.440 4.934 4.814 5.007 . 0 0 "[ ]" 1
313 1 15 GLN QB 1 16 LEU H . . 3.390 2.715 2.601 2.863 . 0 0 "[ ]" 1
314 1 15 GLN QB 1 16 LEU HA . . 4.670 4.049 4.015 4.097 . 0 0 "[ ]" 1
315 1 15 GLN QB 1 16 LEU QD . . 4.230 3.735 3.454 3.929 . 0 0 "[ ]" 1
316 1 15 GLN QB 1 19 LEU QD . . 4.000 3.442 3.158 3.609 . 0 0 "[ ]" 1
317 1 15 GLN QB 1 41 LEU QD . . 3.520 3.202 2.935 3.437 . 0 0 "[ ]" 1
318 1 15 GLN QB 1 43 LEU QD . . 3.130 3.227 3.141 3.304 0.174 1 0 "[ ]" 1
319 1 15 GLN HB2 1 16 LEU H . . 4.080 2.830 2.668 3.014 . 0 0 "[ ]" 1
320 1 15 GLN HB2 1 41 LEU QD . . 5.500 4.476 4.259 4.628 . 0 0 "[ ]" 1
321 1 15 GLN HB2 1 43 LEU QD . . 5.370 4.261 4.181 4.312 . 0 0 "[ ]" 1
322 1 15 GLN HB3 1 16 LEU H . . 4.080 3.522 3.388 3.609 . 0 0 "[ ]" 1
323 1 15 GLN HB3 1 41 LEU QD . . 5.500 3.282 2.990 3.543 . 0 0 "[ ]" 1
324 1 15 GLN HB3 1 43 LEU QD . . 5.370 3.342 3.247 3.430 . 0 0 "[ ]" 1
325 1 15 GLN QE 1 41 LEU HA . . 5.290 4.800 4.340 5.080 . 0 0 "[ ]" 1
326 1 15 GLN QE 1 41 LEU HB2 . . 5.020 4.895 4.788 5.040 0.020 3 0 "[ ]" 1
327 1 15 GLN QE 1 41 LEU QD . . 4.780 4.659 4.428 4.827 0.047 3 0 "[ ]" 1
328 1 15 GLN QE 1 42 GLY H . . 5.500 5.998 5.832 6.232 0.732 1 1 "[+ ]" 1
329 1 15 GLN QE 1 42 GLY QA . . 5.500 4.583 4.312 4.942 . 0 0 "[ ]" 1
330 1 15 GLN QE 1 43 LEU H . . 5.130 5.823 5.698 6.017 0.887 2 3 [*+-] 1
331 1 15 GLN QE 1 43 LEU QB . . 4.650 5.328 5.202 5.483 0.833 2 3 [*+-] 1
332 1 15 GLN QE 1 43 LEU QD . . 3.080 2.576 2.466 2.729 . 0 0 "[ ]" 1
333 1 15 GLN QE 1 43 LEU HG . . 4.600 4.090 3.884 4.197 . 0 0 "[ ]" 1
334 1 15 GLN QG 1 16 LEU H . . 5.180 4.398 4.041 4.581 . 0 0 "[ ]" 1
335 1 15 GLN QG 1 41 LEU H . . 5.340 6.219 5.958 6.427 1.087 1 3 [+*-] 1
336 1 15 GLN QG 1 41 LEU HB2 . . 5.340 4.257 4.142 4.454 . 0 0 "[ ]" 1
337 1 15 GLN QG 1 41 LEU QD . . 3.530 3.364 3.229 3.460 . 0 0 "[ ]" 1
338 1 15 GLN QG 1 41 LEU HG . . 4.070 5.505 5.461 5.551 1.481 3 3 [*-+] 1
339 1 15 GLN QG 1 43 LEU QD . . 3.840 3.490 3.377 3.713 . 0 0 "[ ]" 1
340 1 15 GLN HG2 1 41 LEU QD . . 5.500 3.511 3.326 3.662 . 0 0 "[ ]" 1
341 1 15 GLN HG3 1 41 LEU QD . . 5.500 4.336 4.256 4.385 . 0 0 "[ ]" 1
342 1 16 LEU H 1 16 LEU QB . . 3.230 2.418 2.287 2.486 . 0 0 "[ ]" 1
343 1 16 LEU H 1 16 LEU MD1 . . 4.020 3.963 3.777 4.132 0.112 3 0 "[ ]" 1
344 1 16 LEU H 1 16 LEU QD . . 3.450 3.334 3.172 3.429 . 0 0 "[ ]" 1
345 1 16 LEU H 1 16 LEU MD2 . . 4.020 3.635 3.295 3.865 . 0 0 "[ ]" 1
346 1 16 LEU H 1 16 LEU HG . . 3.970 2.810 2.683 2.931 . 0 0 "[ ]" 1
347 1 16 LEU H 1 17 ALA H . . 3.030 2.649 2.415 2.772 . 0 0 "[ ]" 1
348 1 16 LEU H 1 17 ALA HA . . 5.210 5.240 5.144 5.316 0.106 2 0 "[ ]" 1
349 1 16 LEU H 1 17 ALA MB . . 5.440 4.358 4.176 4.584 . 0 0 "[ ]" 1
350 1 16 LEU H 1 18 ARG H . . 4.490 4.639 4.470 4.839 0.349 1 0 "[ ]" 1
351 1 16 LEU H 1 19 LEU H . . 5.370 5.037 4.779 5.195 . 0 0 "[ ]" 1
352 1 16 LEU H 1 19 LEU QB . . 5.260 4.843 4.749 4.904 . 0 0 "[ ]" 1
353 1 16 LEU H 1 19 LEU QD . . 4.670 4.417 4.355 4.480 . 0 0 "[ ]" 1
354 1 16 LEU H 1 41 LEU QD . . 5.500 4.885 4.723 5.032 . 0 0 "[ ]" 1
355 1 16 LEU HA 1 16 LEU MD1 . . 3.810 3.952 3.924 4.006 0.196 2 0 "[ ]" 1
356 1 16 LEU HA 1 16 LEU QD . . 2.690 2.326 2.127 2.484 . 0 0 "[ ]" 1
357 1 16 LEU HA 1 16 LEU MD2 . . 3.810 2.344 2.136 2.512 . 0 0 "[ ]" 1
358 1 16 LEU HA 1 16 LEU HG . . 3.540 3.367 3.253 3.488 . 0 0 "[ ]" 1
359 1 16 LEU HA 1 17 ALA HA . . 5.120 4.893 4.790 5.094 . 0 0 "[ ]" 1
360 1 16 LEU HA 1 17 ALA MB . . 5.500 5.085 4.944 5.213 . 0 0 "[ ]" 1
361 1 16 LEU HA 1 18 ARG H . . 4.390 4.291 3.937 4.657 0.267 1 0 "[ ]" 1
362 1 16 LEU HA 1 19 LEU H . . 3.530 3.153 2.926 3.375 . 0 0 "[ ]" 1
363 1 16 LEU HA 1 19 LEU QB . . 3.360 2.135 2.120 2.147 . 0 0 "[ ]" 1
364 1 16 LEU HA 1 19 LEU QD . . 2.890 2.697 2.590 2.786 . 0 0 "[ ]" 1
365 1 16 LEU HA 1 20 LYS H . . 3.950 3.757 3.600 3.870 . 0 0 "[ ]" 1
366 1 16 LEU HA 1 20 LYS HB2 . . 5.500 5.671 5.632 5.739 0.239 1 0 "[ ]" 1
367 1 16 LEU HA 1 20 LYS QD . . 4.620 5.537 5.477 5.653 1.033 2 3 [*+-] 1
368 1 16 LEU HA 1 51 TRP HE1 . . 5.460 5.322 5.150 5.425 . 0 0 "[ ]" 1
369 1 16 LEU HA 1 51 TRP HH2 . . 5.500 5.370 5.113 5.700 0.200 3 0 "[ ]" 1
370 1 16 LEU HA 1 51 TRP HZ2 . . 4.630 4.546 4.287 4.833 0.203 3 0 "[ ]" 1
371 1 16 LEU QB 1 16 LEU MD1 . . 3.060 2.180 2.128 2.222 . 0 0 "[ ]" 1
372 1 16 LEU QB 1 16 LEU MD2 . . 3.060 2.365 2.333 2.397 . 0 0 "[ ]" 1
373 1 16 LEU QB 1 17 ALA H . . 3.440 2.894 2.616 3.185 . 0 0 "[ ]" 1
374 1 16 LEU QB 1 19 LEU QD . . 5.500 4.091 3.911 4.201 . 0 0 "[ ]" 1
375 1 16 LEU QB 1 51 TRP HZ2 . . 3.790 3.901 3.822 3.990 0.200 2 0 "[ ]" 1
376 1 16 LEU QD 1 17 ALA H . . 4.470 4.415 4.308 4.549 0.079 3 0 "[ ]" 1
377 1 16 LEU QD 1 17 ALA MB . . 5.440 5.208 5.116 5.334 . 0 0 "[ ]" 1
378 1 16 LEU QD 1 18 ARG H . . 5.440 5.638 5.258 5.989 0.549 1 1 "[+ ]" 1
379 1 16 LEU QD 1 19 LEU H . . 5.100 4.695 4.507 5.014 . 0 0 "[ ]" 1
380 1 16 LEU QD 1 19 LEU HA . . 5.440 5.528 5.369 5.784 0.344 1 0 "[ ]" 1
381 1 16 LEU QD 1 19 LEU QD . . 3.140 2.303 2.027 2.618 . 0 0 "[ ]" 1
382 1 16 LEU QD 1 20 LYS H . . 4.640 4.558 4.427 4.659 0.019 1 0 "[ ]" 1
383 1 16 LEU QD 1 20 LYS HA . . 5.440 5.545 5.499 5.637 0.197 3 0 "[ ]" 1
384 1 16 LEU QD 1 20 LYS QD . . 4.370 4.297 4.278 4.328 . 0 0 "[ ]" 1
385 1 16 LEU QD 1 20 LYS QE . . 3.530 3.270 3.097 3.438 . 0 0 "[ ]" 1
386 1 16 LEU QD 1 51 TRP HE1 . . 2.740 2.247 2.093 2.446 . 0 0 "[ ]" 1
387 1 16 LEU QD 1 51 TRP HH2 . . 4.500 4.306 4.090 4.541 0.041 3 0 "[ ]" 1
388 1 16 LEU QD 1 51 TRP HZ2 . . 3.160 2.579 2.295 3.008 . 0 0 "[ ]" 1
389 1 16 LEU MD1 1 17 ALA H . . 5.470 5.001 4.766 5.440 . 0 0 "[ ]" 1
390 1 16 LEU MD1 1 20 LYS H . . 5.500 5.873 5.817 5.915 0.415 1 0 "[ ]" 1
391 1 16 LEU MD1 1 20 LYS QD . . 5.140 4.984 4.763 5.169 0.029 2 0 "[ ]" 1
392 1 16 LEU MD1 1 20 LYS QE . . 4.070 3.493 3.384 3.686 . 0 0 "[ ]" 1
393 1 16 LEU MD1 1 51 TRP HE1 . . 3.450 3.526 3.073 3.797 0.347 1 0 "[ ]" 1
394 1 16 LEU MD1 1 51 TRP HH2 . . 5.500 5.833 5.666 6.031 0.531 1 1 "[+ ]" 1
395 1 16 LEU MD1 1 51 TRP HZ2 . . 4.030 3.909 3.657 4.113 0.083 1 0 "[ ]" 1
396 1 16 LEU MD2 1 17 ALA H . . 5.470 4.956 4.878 5.078 . 0 0 "[ ]" 1
397 1 16 LEU MD2 1 20 LYS H . . 5.500 4.751 4.576 4.876 . 0 0 "[ ]" 1
398 1 16 LEU MD2 1 20 LYS QD . . 5.140 4.713 4.637 4.858 . 0 0 "[ ]" 1
399 1 16 LEU MD2 1 20 LYS QE . . 4.070 4.011 3.554 4.365 0.295 3 0 "[ ]" 1
400 1 16 LEU MD2 1 51 TRP HE1 . . 3.450 2.297 2.103 2.569 . 0 0 "[ ]" 1
401 1 16 LEU MD2 1 51 TRP HH2 . . 5.500 4.450 4.180 4.781 . 0 0 "[ ]" 1
402 1 16 LEU MD2 1 51 TRP HZ2 . . 4.030 2.654 2.309 3.199 . 0 0 "[ ]" 1
403 1 16 LEU HG 1 19 LEU QD . . 4.850 4.246 4.141 4.345 . 0 0 "[ ]" 1
404 1 17 ALA H 1 17 ALA HA . . 2.890 2.822 2.680 2.895 0.005 3 0 "[ ]" 1
405 1 17 ALA H 1 17 ALA MB . . 2.420 2.304 2.214 2.406 . 0 0 "[ ]" 1
406 1 17 ALA H 1 18 ARG H . . 3.040 3.031 2.841 3.219 0.179 1 0 "[ ]" 1
407 1 17 ALA H 1 19 LEU QD . . 5.500 5.394 5.200 5.585 0.085 2 0 "[ ]" 1
408 1 17 ALA H 1 20 LYS H . . 4.960 5.024 4.956 5.107 0.147 3 0 "[ ]" 1
409 1 17 ALA MB 1 18 ARG H . . 2.830 2.820 2.433 3.313 0.483 3 0 "[ ]" 1
410 1 17 ALA MB 1 19 LEU H . . 5.100 4.775 4.663 4.985 . 0 0 "[ ]" 1
411 1 17 ALA MB 1 20 LYS H . . 5.190 5.125 5.106 5.135 . 0 0 "[ ]" 1
412 1 18 ARG H 1 18 ARG QB . . 2.850 2.249 2.034 2.427 . 0 0 "[ ]" 1
413 1 18 ARG H 1 18 ARG QD . . 4.560 4.497 4.362 4.754 0.194 3 0 "[ ]" 1
414 1 18 ARG H 1 18 ARG HG2 . . 4.550 3.370 3.073 3.764 . 0 0 "[ ]" 1
415 1 18 ARG H 1 18 ARG QG . . 3.810 3.243 2.990 3.588 . 0 0 "[ ]" 1
416 1 18 ARG H 1 18 ARG HG3 . . 4.550 4.236 4.092 4.521 . 0 0 "[ ]" 1
417 1 18 ARG H 1 19 LEU H . . 3.130 2.604 2.296 2.829 . 0 0 "[ ]" 1
418 1 18 ARG H 1 19 LEU QB . . 4.420 4.436 4.078 4.778 0.358 2 0 "[ ]" 1
419 1 18 ARG H 1 19 LEU HG . . 5.370 4.865 4.536 5.159 . 0 0 "[ ]" 1
420 1 18 ARG H 1 20 LYS H . . 4.360 4.442 4.177 4.575 0.215 1 0 "[ ]" 1
421 1 18 ARG H 1 21 ARG H . . 5.090 5.324 5.247 5.440 0.350 1 0 "[ ]" 1
422 1 18 ARG H 1 41 LEU QD . . 4.340 3.640 3.480 3.887 . 0 0 "[ ]" 1
423 1 18 ARG H 1 41 LEU HG . . 5.440 6.721 6.466 7.144 1.704 2 3 [*+-] 1
424 1 18 ARG HA 1 18 ARG HD2 . . 3.500 2.309 2.152 2.537 . 0 0 "[ ]" 1
425 1 18 ARG HA 1 18 ARG QD . . 2.990 2.283 2.133 2.492 . 0 0 "[ ]" 1
426 1 18 ARG HA 1 18 ARG HD3 . . 3.500 3.639 3.494 3.771 0.271 1 0 "[ ]" 1
427 1 18 ARG HA 1 18 ARG HE . . 4.440 3.973 3.760 4.356 . 0 0 "[ ]" 1
428 1 18 ARG HA 1 18 ARG QG . . 3.290 2.661 2.524 2.762 . 0 0 "[ ]" 1
429 1 18 ARG HA 1 19 LEU QB . . 5.500 5.335 5.170 5.512 0.012 2 0 "[ ]" 1
430 1 18 ARG HA 1 20 LYS H . . 5.210 4.541 4.423 4.721 . 0 0 "[ ]" 1
431 1 18 ARG HA 1 21 ARG QB . . 3.360 3.045 2.827 3.279 . 0 0 "[ ]" 1
432 1 18 ARG HA 1 22 GLU H . . 5.500 4.867 4.657 5.050 . 0 0 "[ ]" 1
433 1 18 ARG HA 1 41 LEU QD . . 4.750 4.404 4.327 4.460 . 0 0 "[ ]" 1
434 1 18 ARG QB 1 18 ARG QD . . 3.410 2.827 2.785 2.889 . 0 0 "[ ]" 1
435 1 18 ARG QB 1 18 ARG HE . . 4.220 3.003 2.906 3.134 . 0 0 "[ ]" 1
436 1 18 ARG QB 1 19 LEU H . . 3.310 2.885 2.796 3.000 . 0 0 "[ ]" 1
437 1 18 ARG QB 1 19 LEU QD . . 4.660 4.218 4.182 4.244 . 0 0 "[ ]" 1
438 1 18 ARG QB 1 19 LEU HG . . 4.570 4.045 3.918 4.172 . 0 0 "[ ]" 1
439 1 18 ARG QB 1 37 LEU HA . . 5.500 5.785 5.600 5.916 0.416 2 0 "[ ]" 1
440 1 18 ARG QB 1 37 LEU QD . . 4.610 3.493 3.258 3.837 . 0 0 "[ ]" 1
441 1 18 ARG QB 1 41 LEU H . . 5.390 6.324 6.118 6.577 1.187 1 3 [+*-] 1
442 1 18 ARG QB 1 41 LEU QD . . 2.870 2.163 2.148 2.189 . 0 0 "[ ]" 1
443 1 18 ARG QD 1 19 LEU H . . 5.070 5.231 5.207 5.251 0.181 2 0 "[ ]" 1
444 1 18 ARG QD 1 21 ARG H . . 5.120 4.935 4.800 5.013 . 0 0 "[ ]" 1
445 1 18 ARG QD 1 21 ARG QB . . 3.890 3.309 3.262 3.372 . 0 0 "[ ]" 1
446 1 18 ARG QD 1 22 GLU H . . 5.130 5.506 5.276 5.868 0.738 1 1 "[+ ]" 1
447 1 18 ARG QD 1 22 GLU QG . . 4.720 4.541 4.238 4.760 0.040 1 0 "[ ]" 1
448 1 18 ARG QD 1 37 LEU QD . . 5.280 4.854 4.599 5.155 . 0 0 "[ ]" 1
449 1 18 ARG QD 1 41 LEU QD . . 4.700 4.146 4.010 4.228 . 0 0 "[ ]" 1
450 1 18 ARG HE 1 18 ARG HG2 . . 4.130 4.073 3.978 4.133 0.003 2 0 "[ ]" 1
451 1 18 ARG HE 1 18 ARG HG3 . . 4.130 3.450 3.168 3.606 . 0 0 "[ ]" 1
452 1 18 ARG HE 1 19 LEU H . . 5.140 6.104 6.066 6.149 1.009 2 3 [*+-] 1
453 1 18 ARG HE 1 22 GLU HB2 . . 5.480 5.851 5.812 5.890 0.410 2 0 "[ ]" 1
454 1 18 ARG HE 1 22 GLU QG . . 4.170 3.597 3.534 3.673 . 0 0 "[ ]" 1
455 1 18 ARG HE 1 37 LEU QD . . 3.890 3.805 3.517 4.113 0.223 1 0 "[ ]" 1
456 1 18 ARG HE 1 41 LEU QD . . 4.310 4.260 3.933 4.500 0.190 1 0 "[ ]" 1
457 1 18 ARG QH1 1 41 LEU QD . . 5.270 4.051 3.946 4.142 . 0 0 "[ ]" 1
458 1 18 ARG QH2 1 37 LEU QD . . 4.080 3.520 3.235 3.723 . 0 0 "[ ]" 1
459 1 18 ARG QH2 1 41 LEU QD . . 5.270 4.383 4.223 4.534 . 0 0 "[ ]" 1
460 1 19 LEU H 1 19 LEU QB . . 3.120 2.287 2.196 2.387 . 0 0 "[ ]" 1
461 1 19 LEU H 1 19 LEU QD . . 3.850 3.360 3.290 3.404 . 0 0 "[ ]" 1
462 1 19 LEU H 1 19 LEU HG . . 3.080 2.706 2.677 2.757 . 0 0 "[ ]" 1
463 1 19 LEU H 1 20 LYS H . . 3.200 2.968 2.938 3.011 . 0 0 "[ ]" 1
464 1 19 LEU H 1 21 ARG H . . 5.130 4.393 4.351 4.420 . 0 0 "[ ]" 1
465 1 19 LEU H 1 41 LEU QD . . 4.240 3.257 3.214 3.294 . 0 0 "[ ]" 1
466 1 19 LEU HA 1 19 LEU QD . . 2.700 2.056 2.026 2.077 . 0 0 "[ ]" 1
467 1 19 LEU HA 1 19 LEU HG . . 3.510 2.887 2.848 2.940 . 0 0 "[ ]" 1
468 1 19 LEU HA 1 20 LYS HA . . 5.000 4.958 4.921 4.992 . 0 0 "[ ]" 1
469 1 19 LEU HA 1 20 LYS QD . . 5.500 6.237 5.993 6.375 0.875 2 2 "[-+ ]" 1
470 1 19 LEU HA 1 21 ARG H . . 4.880 4.175 4.138 4.247 . 0 0 "[ ]" 1
471 1 19 LEU HA 1 22 GLU H . . 4.460 3.622 3.530 3.675 . 0 0 "[ ]" 1
472 1 19 LEU HA 1 22 GLU HA . . 5.500 5.878 5.839 5.937 0.437 1 0 "[ ]" 1
473 1 19 LEU HA 1 22 GLU HB2 . . 3.850 3.168 3.125 3.242 . 0 0 "[ ]" 1
474 1 19 LEU HA 1 22 GLU HB3 . . 4.460 4.787 4.755 4.826 0.366 1 0 "[ ]" 1
475 1 19 LEU HA 1 22 GLU QG . . 4.430 3.970 3.826 4.147 . 0 0 "[ ]" 1
476 1 19 LEU HA 1 23 PHE H . . 4.530 4.254 4.186 4.306 . 0 0 "[ ]" 1
477 1 19 LEU HA 1 37 LEU QD . . 4.130 3.294 3.062 3.433 . 0 0 "[ ]" 1
478 1 19 LEU HA 1 41 LEU QD . . 5.440 3.769 3.634 3.922 . 0 0 "[ ]" 1
479 1 19 LEU HA 1 41 LEU HG . . 5.500 6.457 6.413 6.480 0.980 2 3 [-+*] 1
480 1 19 LEU HA 1 51 TRP HH2 . . 4.970 4.819 4.753 4.873 . 0 0 "[ ]" 1
481 1 19 LEU HA 1 51 TRP HZ3 . . 4.730 4.436 4.303 4.622 . 0 0 "[ ]" 1
482 1 19 LEU HA 1 52 PHE QE . . 3.930 4.035 3.944 4.117 0.187 2 0 "[ ]" 1
483 1 19 LEU HA 1 52 PHE HZ . . 4.710 4.431 4.248 4.600 . 0 0 "[ ]" 1
484 1 19 LEU QB 1 19 LEU QD . . 2.680 2.004 1.985 2.020 . 0 0 "[ ]" 1
485 1 19 LEU QB 1 20 LYS H . . 3.510 2.584 2.493 2.638 . 0 0 "[ ]" 1
486 1 19 LEU QB 1 20 LYS HA . . 4.970 4.063 4.044 4.087 . 0 0 "[ ]" 1
487 1 19 LEU QB 1 21 ARG H . . 5.230 4.683 4.629 4.750 . 0 0 "[ ]" 1
488 1 19 LEU QB 1 22 GLU QG . . 5.500 5.645 5.508 5.788 0.288 2 0 "[ ]" 1
489 1 19 LEU QB 1 23 PHE HB3 . . 5.040 5.130 5.038 5.183 0.143 2 0 "[ ]" 1
490 1 19 LEU QB 1 51 TRP HE1 . . 5.230 4.758 4.613 4.877 . 0 0 "[ ]" 1
491 1 19 LEU QB 1 51 TRP HE3 . . 4.700 3.718 3.540 3.836 . 0 0 "[ ]" 1
492 1 19 LEU QB 1 51 TRP HH2 . . 4.590 2.946 2.793 3.067 . 0 0 "[ ]" 1
493 1 19 LEU QB 1 51 TRP HZ2 . . 4.540 3.465 3.196 3.671 . 0 0 "[ ]" 1
494 1 19 LEU QB 1 51 TRP HZ3 . . 4.670 3.136 2.941 3.308 . 0 0 "[ ]" 1
495 1 19 LEU QB 1 52 PHE QE . . 4.640 4.216 4.065 4.301 . 0 0 "[ ]" 1
496 1 19 LEU QD 1 20 LYS H . . 4.540 4.241 4.226 4.266 . 0 0 "[ ]" 1
497 1 19 LEU QD 1 20 LYS QG . . 5.500 4.988 4.967 5.020 . 0 0 "[ ]" 1
498 1 19 LEU QD 1 22 GLU H . . 5.310 4.816 4.726 4.884 . 0 0 "[ ]" 1
499 1 19 LEU QD 1 22 GLU HB2 . . 4.380 3.682 3.610 3.791 . 0 0 "[ ]" 1
500 1 19 LEU QD 1 22 GLU HB3 . . 4.340 4.674 4.552 4.813 0.473 1 0 "[ ]" 1
501 1 19 LEU QD 1 22 GLU QG . . 4.590 4.198 4.010 4.386 . 0 0 "[ ]" 1
502 1 19 LEU QD 1 23 PHE H . . 4.950 4.804 4.733 4.873 . 0 0 "[ ]" 1
503 1 19 LEU QD 1 23 PHE QD . . 5.500 5.362 5.188 5.458 . 0 0 "[ ]" 1
504 1 19 LEU QD 1 29 LEU QD . . 3.870 3.755 3.691 3.880 0.010 1 0 "[ ]" 1
505 1 19 LEU QD 1 37 LEU HA . . 5.000 5.007 4.876 5.084 0.084 2 0 "[ ]" 1
506 1 19 LEU QD 1 37 LEU QB . . 4.320 3.173 3.121 3.221 . 0 0 "[ ]" 1
507 1 19 LEU QD 1 37 LEU QD . . 3.030 2.317 2.036 2.512 . 0 0 "[ ]" 1
508 1 19 LEU QD 1 37 LEU HG . . 4.140 4.731 4.482 4.961 0.821 1 2 "[+- ]" 1
509 1 19 LEU QD 1 41 LEU QD . . 3.070 2.548 2.365 2.713 . 0 0 "[ ]" 1
510 1 19 LEU QD 1 41 LEU HG . . 4.500 4.523 4.474 4.612 0.112 3 0 "[ ]" 1
511 1 19 LEU QD 1 43 LEU QD . . 2.950 2.740 2.533 2.940 . 0 0 "[ ]" 1
512 1 19 LEU QD 1 48 ILE H . . 5.500 5.365 5.036 5.612 0.112 1 0 "[ ]" 1
513 1 19 LEU QD 1 48 ILE HA . . 3.900 3.587 3.475 3.758 . 0 0 "[ ]" 1
514 1 19 LEU QD 1 48 ILE HB . . 5.030 4.928 4.789 5.143 0.113 1 0 "[ ]" 1
515 1 19 LEU QD 1 48 ILE QG . . 3.540 2.906 2.775 3.049 . 0 0 "[ ]" 1
516 1 19 LEU QD 1 48 ILE MG . . 2.970 2.743 2.512 2.883 . 0 0 "[ ]" 1
517 1 19 LEU QD 1 51 TRP H . . 5.500 5.132 4.993 5.359 . 0 0 "[ ]" 1
518 1 19 LEU QD 1 51 TRP QB . . 4.020 3.020 2.900 3.234 . 0 0 "[ ]" 1
519 1 19 LEU QD 1 51 TRP HE1 . . 3.880 3.822 3.720 3.884 0.004 1 0 "[ ]" 1
520 1 19 LEU QD 1 51 TRP HE3 . . 3.440 2.746 2.721 2.771 . 0 0 "[ ]" 1
521 1 19 LEU QD 1 51 TRP HH2 . . 4.390 4.021 3.980 4.047 . 0 0 "[ ]" 1
522 1 19 LEU QD 1 51 TRP HZ2 . . 3.930 3.892 3.714 4.004 0.074 3 0 "[ ]" 1
523 1 19 LEU QD 1 51 TRP HZ3 . . 4.100 3.271 3.148 3.366 . 0 0 "[ ]" 1
524 1 19 LEU QD 1 52 PHE H . . 4.920 4.584 4.340 4.848 . 0 0 "[ ]" 1
525 1 19 LEU QD 1 52 PHE HA . . 5.500 5.091 4.908 5.212 . 0 0 "[ ]" 1
526 1 19 LEU QD 1 52 PHE QD . . 3.410 3.298 3.248 3.360 . 0 0 "[ ]" 1
527 1 19 LEU QD 1 52 PHE QE . . 2.770 2.299 2.163 2.432 . 0 0 "[ ]" 1
528 1 19 LEU QD 1 52 PHE HZ . . 4.120 3.758 3.561 3.889 . 0 0 "[ ]" 1
529 1 19 LEU HG 1 20 LYS H . . 4.850 4.851 4.802 4.941 0.091 1 0 "[ ]" 1
530 1 19 LEU HG 1 37 LEU QB . . 5.500 4.785 4.649 5.035 . 0 0 "[ ]" 1
531 1 19 LEU HG 1 41 LEU HB2 . . 5.500 5.110 4.961 5.201 . 0 0 "[ ]" 1
532 1 19 LEU HG 1 41 LEU HB3 . . 5.500 5.206 5.137 5.250 . 0 0 "[ ]" 1
533 1 19 LEU HG 1 41 LEU QD . . 3.280 2.300 2.213 2.406 . 0 0 "[ ]" 1
534 1 19 LEU HG 1 51 TRP HE3 . . 5.500 5.722 5.645 5.794 0.294 3 0 "[ ]" 1
535 1 19 LEU HG 1 52 PHE QE . . 5.500 5.100 4.944 5.295 . 0 0 "[ ]" 1
536 1 20 LYS H 1 20 LYS HB2 . . 3.270 2.472 2.407 2.548 . 0 0 "[ ]" 1
537 1 20 LYS H 1 20 LYS QD . . 3.270 3.626 3.541 3.748 0.478 2 0 "[ ]" 1
538 1 20 LYS H 1 20 LYS QE . . 5.320 4.621 4.410 4.835 . 0 0 "[ ]" 1
539 1 20 LYS H 1 20 LYS QG . . 3.730 2.292 2.178 2.439 . 0 0 "[ ]" 1
540 1 20 LYS H 1 21 ARG H . . 3.430 2.959 2.894 3.058 . 0 0 "[ ]" 1
541 1 20 LYS H 1 23 PHE HB3 . . 5.170 5.257 5.152 5.312 0.142 2 0 "[ ]" 1
542 1 20 LYS H 1 51 TRP HH2 . . 4.110 3.777 3.484 3.969 . 0 0 "[ ]" 1
543 1 20 LYS H 1 51 TRP HZ2 . . 4.430 4.689 4.444 4.905 0.475 1 0 "[ ]" 1
544 1 20 LYS HA 1 20 LYS QD . . 3.040 2.399 2.269 2.497 . 0 0 "[ ]" 1
545 1 20 LYS HA 1 20 LYS QE . . 4.770 4.339 4.257 4.451 . 0 0 "[ ]" 1
546 1 20 LYS HA 1 20 LYS QG . . 3.470 3.021 2.841 3.157 . 0 0 "[ ]" 1
547 1 20 LYS HA 1 23 PHE H . . 3.870 3.618 3.389 3.792 . 0 0 "[ ]" 1
548 1 20 LYS HA 1 23 PHE HB2 . . 3.720 3.843 3.636 3.983 0.263 3 0 "[ ]" 1
549 1 20 LYS HA 1 23 PHE HB3 . . 3.510 2.802 2.666 2.870 . 0 0 "[ ]" 1
550 1 20 LYS HA 1 23 PHE QD . . 4.430 4.429 4.323 4.599 0.169 3 0 "[ ]" 1
551 1 20 LYS HA 1 24 ASN H . . 4.200 3.964 3.859 4.170 . 0 0 "[ ]" 1
552 1 20 LYS HA 1 24 ASN QD . . 4.950 5.544 5.305 5.873 0.923 3 2 "[ -+]" 1
553 1 20 LYS HA 1 51 TRP HH2 . . 2.930 2.740 2.544 2.877 . 0 0 "[ ]" 1
554 1 20 LYS HA 1 51 TRP HZ3 . . 4.190 4.502 4.218 4.665 0.475 3 0 "[ ]" 1
555 1 20 LYS HB2 1 21 ARG H . . 4.760 2.838 2.721 2.989 . 0 0 "[ ]" 1
556 1 20 LYS HB2 1 24 ASN QD . . 5.340 5.365 5.080 5.915 0.575 3 1 "[ +]" 1
557 1 20 LYS HB2 1 51 TRP HH2 . . 5.320 5.223 4.904 5.403 0.083 3 0 "[ ]" 1
558 1 20 LYS HB3 1 24 ASN H . . 4.880 4.966 4.710 5.343 0.463 3 0 "[ ]" 1
559 1 20 LYS HB3 1 24 ASN HD21 . . 5.500 4.794 4.250 5.698 0.198 3 0 "[ ]" 1
560 1 20 LYS HB3 1 24 ASN HD22 . . 5.500 5.423 5.029 5.695 0.195 3 0 "[ ]" 1
561 1 20 LYS HB3 1 51 TRP HH2 . . 4.980 5.032 4.668 5.240 0.260 1 0 "[ ]" 1
562 1 20 LYS QD 1 23 PHE H . . 5.450 5.532 5.485 5.621 0.171 1 0 "[ ]" 1
563 1 20 LYS QD 1 23 PHE QD . . 5.500 4.677 4.570 4.739 . 0 0 "[ ]" 1
564 1 20 LYS QD 1 51 TRP HH2 . . 3.940 2.859 2.624 3.201 . 0 0 "[ ]" 1
565 1 20 LYS QD 1 51 TRP HZ2 . . 4.170 3.303 2.846 3.601 . 0 0 "[ ]" 1
566 1 20 LYS QE 1 51 TRP HE1 . . 5.060 5.330 5.076 5.713 0.653 1 1 "[+ ]" 1
567 1 20 LYS QE 1 51 TRP HH2 . . 4.730 4.354 4.104 4.568 . 0 0 "[ ]" 1
568 1 20 LYS QE 1 51 TRP HZ2 . . 3.760 3.459 3.225 3.838 0.078 1 0 "[ ]" 1
569 1 20 LYS QG 1 21 ARG H . . 4.880 4.300 4.217 4.448 . 0 0 "[ ]" 1
570 1 20 LYS QG 1 23 PHE QD . . 5.500 6.333 6.136 6.492 0.992 3 3 [-*+] 1
571 1 20 LYS QG 1 24 ASN QD . . 5.340 6.042 5.710 6.572 1.232 3 2 "[ -+]" 1
572 1 20 LYS QG 1 51 TRP HH2 . . 3.680 3.879 3.632 4.100 0.420 3 0 "[ ]" 1
573 1 20 LYS QG 1 51 TRP HZ2 . . 3.810 3.958 3.851 4.134 0.324 1 0 "[ ]" 1
574 1 21 ARG H 1 21 ARG HB2 . . 3.570 2.603 2.501 2.709 . 0 0 "[ ]" 1
575 1 21 ARG H 1 21 ARG QB . . 2.930 2.547 2.459 2.629 . 0 0 "[ ]" 1
576 1 21 ARG H 1 21 ARG HB3 . . 3.570 3.640 3.558 3.720 0.150 2 0 "[ ]" 1
577 1 21 ARG H 1 21 ARG QD . . 4.550 4.070 4.012 4.119 . 0 0 "[ ]" 1
578 1 21 ARG H 1 21 ARG HE . . 5.230 5.194 4.408 6.178 0.948 3 1 "[ +]" 1
579 1 21 ARG H 1 21 ARG QG . . 3.090 2.400 2.151 2.526 . 0 0 "[ ]" 1
580 1 21 ARG H 1 22 GLU H . . 3.600 2.571 2.482 2.687 . 0 0 "[ ]" 1
581 1 21 ARG H 1 22 GLU HB2 . . 5.060 4.736 4.627 4.913 . 0 0 "[ ]" 1
582 1 21 ARG H 1 23 PHE H . . 4.490 3.964 3.775 4.179 . 0 0 "[ ]" 1
583 1 21 ARG H 1 24 ASN H . . 5.030 4.653 4.581 4.773 . 0 0 "[ ]" 1
584 1 21 ARG H 1 51 TRP HH2 . . 5.500 5.568 5.389 5.719 0.219 1 0 "[ ]" 1
585 1 21 ARG HA 1 21 ARG QD . . 4.250 3.873 3.430 4.253 0.003 3 0 "[ ]" 1
586 1 21 ARG HA 1 21 ARG HE . . 5.140 5.200 4.845 5.715 0.575 3 1 "[ +]" 1
587 1 21 ARG HA 1 21 ARG QG . . 3.550 2.542 2.448 2.726 . 0 0 "[ ]" 1
588 1 21 ARG HA 1 22 GLU QG . . 5.500 5.422 5.355 5.540 0.040 3 0 "[ ]" 1
589 1 21 ARG HA 1 23 PHE H . . 4.720 4.485 4.113 4.806 0.086 1 0 "[ ]" 1
590 1 21 ARG HA 1 24 ASN H . . 3.950 3.608 3.378 3.984 0.034 1 0 "[ ]" 1
591 1 21 ARG HA 1 24 ASN QB . . 3.370 3.942 3.853 4.044 0.674 2 2 "[-+ ]" 1
592 1 21 ARG HA 1 24 ASN HD21 . . 4.330 3.697 3.477 3.956 . 0 0 "[ ]" 1
593 1 21 ARG HA 1 24 ASN QD . . 3.620 2.713 2.475 2.890 . 0 0 "[ ]" 1
594 1 21 ARG HA 1 24 ASN HD22 . . 4.330 2.798 2.533 3.027 . 0 0 "[ ]" 1
595 1 21 ARG HA 1 25 GLU H . . 5.170 4.629 4.565 4.717 . 0 0 "[ ]" 1
596 1 21 ARG QB 1 21 ARG QD . . 3.360 2.240 2.148 2.323 . 0 0 "[ ]" 1
597 1 21 ARG QB 1 21 ARG HE . . 4.740 4.134 4.067 4.244 . 0 0 "[ ]" 1
598 1 21 ARG QB 1 22 GLU H . . 3.510 3.111 2.783 3.526 0.016 3 0 "[ ]" 1
599 1 21 ARG QB 1 22 GLU HA . . 4.110 4.282 4.014 4.737 0.627 3 1 "[ +]" 1
600 1 21 ARG QB 1 24 ASN QB . . 5.180 5.576 5.512 5.692 0.512 2 1 "[ + ]" 1
601 1 21 ARG HB2 1 21 ARG QD . . 3.850 2.633 2.305 2.987 . 0 0 "[ ]" 1
602 1 21 ARG HB2 1 21 ARG HE . . 5.430 4.740 4.501 4.996 . 0 0 "[ ]" 1
603 1 21 ARG HB2 1 23 PHE H . . 5.500 5.377 5.255 5.524 0.024 3 0 "[ ]" 1
604 1 21 ARG HB3 1 21 ARG QD . . 3.850 2.500 2.326 2.608 . 0 0 "[ ]" 1
605 1 21 ARG HB3 1 21 ARG HE . . 5.430 4.574 4.439 4.692 . 0 0 "[ ]" 1
606 1 21 ARG HB3 1 23 PHE H . . 5.500 5.952 5.850 6.052 0.552 1 1 "[+ ]" 1
607 1 21 ARG QD 1 22 GLU H . . 5.230 5.385 4.905 5.752 0.522 3 1 "[ +]" 1
608 1 21 ARG QD 1 24 ASN QD . . 4.830 4.581 4.016 5.031 0.201 2 0 "[ ]" 1
609 1 21 ARG QG 1 24 ASN QD . . 4.330 3.483 2.864 4.035 . 0 0 "[ ]" 1
610 1 22 GLU H 1 22 GLU HB2 . . 3.540 2.466 2.414 2.566 . 0 0 "[ ]" 1
611 1 22 GLU H 1 22 GLU HB3 . . 3.640 3.618 3.548 3.725 0.085 3 0 "[ ]" 1
612 1 22 GLU H 1 22 GLU QG . . 3.540 2.925 2.617 3.127 . 0 0 "[ ]" 1
613 1 22 GLU H 1 23 PHE H . . 3.380 2.328 2.103 2.709 . 0 0 "[ ]" 1
614 1 22 GLU H 1 23 PHE HA . . 5.200 5.042 4.859 5.353 0.153 2 0 "[ ]" 1
615 1 22 GLU H 1 23 PHE HB3 . . 4.840 4.650 4.326 5.162 0.322 2 0 "[ ]" 1
616 1 22 GLU H 1 24 ASN H . . 4.520 3.912 3.743 4.161 . 0 0 "[ ]" 1
617 1 22 GLU H 1 25 GLU H . . 5.280 4.883 4.609 5.102 . 0 0 "[ ]" 1
618 1 22 GLU H 1 25 GLU QB . . 5.500 5.178 4.958 5.352 . 0 0 "[ ]" 1
619 1 22 GLU H 1 37 LEU QD . . 5.340 4.509 4.421 4.583 . 0 0 "[ ]" 1
620 1 22 GLU H 1 52 PHE QE . . 5.500 5.356 5.252 5.545 0.045 2 0 "[ ]" 1
621 1 22 GLU H 1 52 PHE HZ . . 4.480 4.484 4.344 4.681 0.201 2 0 "[ ]" 1
622 1 22 GLU HA 1 22 GLU QG . . 3.470 2.970 2.854 3.080 . 0 0 "[ ]" 1
623 1 22 GLU HA 1 24 ASN H . . 5.200 4.405 4.209 4.546 . 0 0 "[ ]" 1
624 1 22 GLU HA 1 25 GLU QB . . 3.500 3.001 2.754 3.182 . 0 0 "[ ]" 1
625 1 22 GLU HA 1 37 LEU QD . . 5.270 4.782 4.632 4.884 . 0 0 "[ ]" 1
626 1 22 GLU HA 1 52 PHE QE . . 5.210 5.357 5.188 5.443 0.233 2 0 "[ ]" 1
627 1 22 GLU HB2 1 23 PHE H . . 3.760 2.990 2.961 3.036 . 0 0 "[ ]" 1
628 1 22 GLU HB2 1 29 LEU QD . . 5.020 4.118 4.076 4.161 . 0 0 "[ ]" 1
629 1 22 GLU HB2 1 37 LEU QD . . 3.510 2.982 2.896 3.037 . 0 0 "[ ]" 1
630 1 22 GLU HB2 1 52 PHE QD . . 5.500 5.881 5.855 5.904 0.404 3 0 "[ ]" 1
631 1 22 GLU HB2 1 52 PHE QE . . 4.270 3.769 3.724 3.793 . 0 0 "[ ]" 1
632 1 22 GLU HB2 1 52 PHE HZ . . 3.470 2.680 2.638 2.730 . 0 0 "[ ]" 1
633 1 22 GLU HB3 1 22 GLU QG . . 2.620 2.350 2.324 2.400 . 0 0 "[ ]" 1
634 1 22 GLU HB3 1 23 PHE H . . 3.900 3.683 3.635 3.776 . 0 0 "[ ]" 1
635 1 22 GLU HB3 1 52 PHE QE . . 4.220 3.762 3.707 3.797 . 0 0 "[ ]" 1
636 1 22 GLU HB3 1 52 PHE HZ . . 3.290 2.543 2.473 2.636 . 0 0 "[ ]" 1
637 1 22 GLU QG 1 23 PHE H . . 4.490 4.441 4.383 4.478 . 0 0 "[ ]" 1
638 1 22 GLU QG 1 37 LEU H . . 5.500 5.906 5.752 6.044 0.544 2 1 "[ + ]" 1
639 1 22 GLU QG 1 37 LEU HA . . 5.150 5.503 5.301 5.868 0.718 2 1 "[ + ]" 1
640 1 22 GLU QG 1 37 LEU QD . . 3.540 2.013 1.822 2.242 . 0 0 "[ ]" 1
641 1 22 GLU QG 1 41 LEU QD . . 5.500 4.716 4.661 4.800 . 0 0 "[ ]" 1
642 1 22 GLU QG 1 52 PHE QE . . 4.970 4.669 4.553 4.763 . 0 0 "[ ]" 1
643 1 22 GLU QG 1 52 PHE HZ . . 4.070 4.140 4.093 4.225 0.155 2 0 "[ ]" 1
644 1 23 PHE H 1 23 PHE HB2 . . 3.320 2.571 2.505 2.633 . 0 0 "[ ]" 1
645 1 23 PHE H 1 23 PHE HB3 . . 3.330 2.624 2.512 2.696 . 0 0 "[ ]" 1
646 1 23 PHE H 1 23 PHE QD . . 4.300 4.248 4.167 4.306 0.006 3 0 "[ ]" 1
647 1 23 PHE H 1 24 ASN H . . 3.350 2.716 2.559 2.805 . 0 0 "[ ]" 1
648 1 23 PHE H 1 24 ASN HA . . 5.170 5.315 5.237 5.424 0.254 1 0 "[ ]" 1
649 1 23 PHE H 1 25 GLU H . . 4.610 4.168 3.975 4.269 . 0 0 "[ ]" 1
650 1 23 PHE H 1 26 ASN H . . 5.330 4.883 4.711 5.001 . 0 0 "[ ]" 1
651 1 23 PHE H 1 37 LEU QD . . 5.500 5.053 4.953 5.131 . 0 0 "[ ]" 1
652 1 23 PHE H 1 51 TRP HH2 . . 4.410 4.503 4.366 4.644 0.234 3 0 "[ ]" 1
653 1 23 PHE H 1 51 TRP HZ3 . . 4.080 4.029 3.845 4.337 0.257 3 0 "[ ]" 1
654 1 23 PHE H 1 52 PHE QE . . 4.200 4.150 4.065 4.224 0.024 2 0 "[ ]" 1
655 1 23 PHE H 1 52 PHE HZ . . 3.970 3.360 3.336 3.395 . 0 0 "[ ]" 1
656 1 23 PHE HA 1 23 PHE QD . . 3.220 2.776 2.560 2.939 . 0 0 "[ ]" 1
657 1 23 PHE HA 1 25 GLU H . . 4.800 4.150 3.958 4.382 . 0 0 "[ ]" 1
658 1 23 PHE HA 1 26 ASN H . . 3.950 3.537 3.292 3.807 . 0 0 "[ ]" 1
659 1 23 PHE HA 1 26 ASN QB . . 4.900 4.888 4.718 5.068 0.168 1 0 "[ ]" 1
660 1 23 PHE HA 1 27 ARG HA . . 3.820 3.234 3.181 3.283 . 0 0 "[ ]" 1
661 1 23 PHE HA 1 51 TRP HH2 . . 5.500 5.552 5.383 5.795 0.295 2 0 "[ ]" 1
662 1 23 PHE HA 1 51 TRP HZ3 . . 4.630 4.295 4.241 4.356 . 0 0 "[ ]" 1
663 1 23 PHE HA 1 52 PHE QD . . 4.280 4.144 4.046 4.206 . 0 0 "[ ]" 1
664 1 23 PHE HA 1 52 PHE QE . . 3.190 2.442 2.249 2.581 . 0 0 "[ ]" 1
665 1 23 PHE HA 1 52 PHE HZ . . 3.830 3.390 3.290 3.531 . 0 0 "[ ]" 1
666 1 23 PHE HB2 1 24 ASN H . . 4.050 4.033 3.915 4.183 0.133 2 0 "[ ]" 1
667 1 23 PHE HB2 1 27 ARG HA . . 5.170 4.881 4.829 4.953 . 0 0 "[ ]" 1
668 1 23 PHE HB2 1 51 TRP HE3 . . 4.310 4.322 4.230 4.480 0.170 3 0 "[ ]" 1
669 1 23 PHE HB2 1 51 TRP HH2 . . 3.660 3.209 3.051 3.442 . 0 0 "[ ]" 1
670 1 23 PHE HB2 1 51 TRP HZ2 . . 5.500 5.543 5.485 5.643 0.143 2 0 "[ ]" 1
671 1 23 PHE HB2 1 51 TRP HZ3 . . 3.400 2.188 2.171 2.202 . 0 0 "[ ]" 1
672 1 23 PHE HB2 1 52 PHE HA . . 5.010 4.822 4.775 4.850 . 0 0 "[ ]" 1
673 1 23 PHE HB2 1 52 PHE QD . . 5.000 4.449 4.400 4.487 . 0 0 "[ ]" 1
674 1 23 PHE HB2 1 52 PHE QE . . 4.250 3.480 3.207 3.674 . 0 0 "[ ]" 1
675 1 23 PHE HB2 1 52 PHE HZ . . 4.300 3.425 3.119 3.650 . 0 0 "[ ]" 1
676 1 23 PHE HB3 1 24 ASN H . . 3.620 2.793 2.604 2.999 . 0 0 "[ ]" 1
677 1 23 PHE HB3 1 24 ASN HA . . 4.880 4.410 4.308 4.478 . 0 0 "[ ]" 1
678 1 23 PHE HB3 1 27 ARG HA . . 5.500 5.476 5.416 5.520 0.020 1 0 "[ ]" 1
679 1 23 PHE HB3 1 51 TRP HE3 . . 5.500 5.876 5.760 5.989 0.489 3 0 "[ ]" 1
680 1 23 PHE HB3 1 51 TRP HH2 . . 3.820 3.310 3.212 3.499 . 0 0 "[ ]" 1
681 1 23 PHE HB3 1 51 TRP HZ2 . . 5.500 5.670 5.573 5.796 0.296 2 0 "[ ]" 1
682 1 23 PHE HB3 1 51 TRP HZ3 . . 3.730 3.630 3.545 3.732 0.002 1 0 "[ ]" 1
683 1 23 PHE HB3 1 52 PHE QE . . 4.770 4.815 4.562 5.024 0.254 1 0 "[ ]" 1
684 1 23 PHE QD 1 24 ASN H . . 4.040 3.592 3.440 3.668 . 0 0 "[ ]" 1
685 1 23 PHE QD 1 24 ASN HA . . 3.740 3.311 3.042 3.594 . 0 0 "[ ]" 1
686 1 23 PHE QD 1 26 ASN H . . 5.500 5.495 5.338 5.667 0.167 1 0 "[ ]" 1
687 1 23 PHE QD 1 27 ARG H . . 5.500 5.823 5.682 5.941 0.441 2 0 "[ ]" 1
688 1 23 PHE QD 1 27 ARG HA . . 3.520 3.284 3.188 3.406 . 0 0 "[ ]" 1
689 1 23 PHE QD 1 27 ARG QB . . 5.180 4.389 4.378 4.408 . 0 0 "[ ]" 1
690 1 23 PHE QD 1 27 ARG QG . . 4.600 3.874 3.839 3.922 . 0 0 "[ ]" 1
691 1 23 PHE QD 1 29 LEU QD . . 5.440 5.067 4.973 5.195 . 0 0 "[ ]" 1
692 1 23 PHE QD 1 51 TRP HE3 . . 4.480 4.340 4.227 4.518 0.038 1 0 "[ ]" 1
693 1 23 PHE QD 1 51 TRP HH2 . . 4.420 4.371 4.225 4.623 0.203 2 0 "[ ]" 1
694 1 23 PHE QD 1 51 TRP HZ3 . . 3.530 3.174 2.856 3.391 . 0 0 "[ ]" 1
695 1 23 PHE QD 1 52 PHE HA . . 3.720 3.212 3.069 3.376 . 0 0 "[ ]" 1
696 1 23 PHE QD 1 52 PHE HB2 . . 5.110 5.315 5.204 5.374 0.264 1 0 "[ ]" 1
697 1 23 PHE QD 1 52 PHE HB3 . . 5.200 4.330 4.246 4.441 . 0 0 "[ ]" 1
698 1 23 PHE QD 1 55 GLU H . . 5.500 5.614 5.595 5.630 0.130 1 0 "[ ]" 1
699 1 23 PHE QD 1 55 GLU HA . . 5.500 5.950 5.926 5.988 0.488 2 0 "[ ]" 1
700 1 23 PHE QD 1 55 GLU QB . . 4.360 3.295 3.186 3.375 . 0 0 "[ ]" 1
701 1 23 PHE QD 1 55 GLU QG . . 4.420 3.138 3.049 3.233 . 0 0 "[ ]" 1
702 1 23 PHE QD 1 56 ARG H . . 5.500 5.415 5.272 5.675 0.175 2 0 "[ ]" 1
703 1 23 PHE QD 1 56 ARG HA . . 5.500 5.673 5.552 5.738 0.238 3 0 "[ ]" 1
704 1 23 PHE QD 1 56 ARG HG2 . . 5.500 5.478 5.433 5.528 0.028 3 0 "[ ]" 1
705 1 23 PHE QD 1 56 ARG HG3 . . 5.500 4.903 4.738 5.135 . 0 0 "[ ]" 1
706 1 23 PHE QD 1 59 ILE MD . . 4.380 3.636 3.400 3.797 . 0 0 "[ ]" 1
707 1 23 PHE QD 1 59 ILE QG . . 5.340 5.351 5.096 5.583 0.243 1 0 "[ ]" 1
708 1 23 PHE QE 1 24 ASN HA . . 5.080 4.641 4.522 4.869 . 0 0 "[ ]" 1
709 1 23 PHE QE 1 27 ARG H . . 5.500 5.708 5.482 5.892 0.392 2 0 "[ ]" 1
710 1 23 PHE QE 1 27 ARG HA . . 3.820 3.322 3.211 3.492 . 0 0 "[ ]" 1
711 1 23 PHE QE 1 27 ARG QB . . 3.260 3.180 3.137 3.220 . 0 0 "[ ]" 1
712 1 23 PHE QE 1 27 ARG QD . . 4.100 3.718 3.460 4.001 . 0 0 "[ ]" 1
713 1 23 PHE QE 1 28 TYR H . . 5.500 5.670 5.654 5.692 0.192 1 0 "[ ]" 1
714 1 23 PHE QE 1 28 TYR HA . . 5.490 5.627 5.536 5.760 0.270 2 0 "[ ]" 1
715 1 23 PHE QE 1 52 PHE HA . . 3.890 3.635 3.459 3.751 . 0 0 "[ ]" 1
716 1 23 PHE QE 1 52 PHE HB3 . . 5.250 4.533 4.392 4.754 . 0 0 "[ ]" 1
717 1 23 PHE QE 1 52 PHE QD . . 4.010 3.634 3.404 3.759 . 0 0 "[ ]" 1
718 1 23 PHE QE 1 55 GLU H . . 4.780 4.814 4.738 4.856 0.076 2 0 "[ ]" 1
719 1 23 PHE QE 1 55 GLU QB . . 4.030 2.803 2.682 2.926 . 0 0 "[ ]" 1
720 1 23 PHE QE 1 55 GLU QG . . 4.310 3.144 2.913 3.320 . 0 0 "[ ]" 1
721 1 23 PHE QE 1 56 ARG H . . 4.020 3.611 3.397 3.913 . 0 0 "[ ]" 1
722 1 23 PHE QE 1 56 ARG HA . . 3.390 3.724 3.615 3.792 0.402 3 0 "[ ]" 1
723 1 23 PHE QE 1 56 ARG HB2 . . 5.300 4.673 4.545 4.801 . 0 0 "[ ]" 1
724 1 23 PHE QE 1 56 ARG HB3 . . 5.500 5.065 4.991 5.170 . 0 0 "[ ]" 1
725 1 23 PHE QE 1 56 ARG HD2 . . 5.160 4.442 4.109 4.676 . 0 0 "[ ]" 1
726 1 23 PHE QE 1 56 ARG QD . . 4.440 4.143 3.855 4.346 . 0 0 "[ ]" 1
727 1 23 PHE QE 1 56 ARG HD3 . . 5.160 4.956 4.666 5.164 0.004 3 0 "[ ]" 1
728 1 23 PHE QE 1 56 ARG QG . . 3.380 2.572 2.385 2.751 . 0 0 "[ ]" 1
729 1 23 PHE QE 1 59 ILE HB . . 5.240 3.912 3.451 4.170 . 0 0 "[ ]" 1
730 1 23 PHE QE 1 59 ILE MD . . 3.260 2.479 2.323 2.595 . 0 0 "[ ]" 1
731 1 23 PHE QE 1 59 ILE QG . . 4.540 4.060 4.004 4.135 . 0 0 "[ ]" 1
732 1 23 PHE HZ 1 27 ARG HA . . 4.950 4.456 4.187 4.673 . 0 0 "[ ]" 1
733 1 23 PHE HZ 1 27 ARG QB . . 4.200 3.456 3.137 3.620 . 0 0 "[ ]" 1
734 1 23 PHE HZ 1 27 ARG QD . . 3.710 3.283 2.995 3.464 . 0 0 "[ ]" 1
735 1 23 PHE HZ 1 27 ARG QG . . 4.430 3.562 3.365 3.859 . 0 0 "[ ]" 1
736 1 23 PHE HZ 1 55 GLU H . . 5.500 5.938 5.835 6.085 0.585 2 1 "[ + ]" 1
737 1 23 PHE HZ 1 55 GLU HA . . 5.140 5.388 5.219 5.602 0.462 2 0 "[ ]" 1
738 1 23 PHE HZ 1 55 GLU QB . . 4.630 3.770 3.617 3.993 . 0 0 "[ ]" 1
739 1 23 PHE HZ 1 55 GLU QG . . 4.880 3.411 3.318 3.528 . 0 0 "[ ]" 1
740 1 23 PHE HZ 1 56 ARG H . . 4.120 4.087 3.825 4.430 0.310 2 0 "[ ]" 1
741 1 23 PHE HZ 1 56 ARG HA . . 3.040 2.559 2.478 2.629 . 0 0 "[ ]" 1
742 1 23 PHE HZ 1 56 ARG HB3 . . 4.750 4.607 4.551 4.688 . 0 0 "[ ]" 1
743 1 23 PHE HZ 1 56 ARG QD . . 5.010 4.746 4.415 5.063 0.053 1 0 "[ ]" 1
744 1 23 PHE HZ 1 56 ARG HE . . 5.500 5.436 5.191 5.649 0.149 1 0 "[ ]" 1
745 1 23 PHE HZ 1 56 ARG QG . . 3.680 2.789 2.561 3.020 . 0 0 "[ ]" 1
746 1 23 PHE HZ 1 59 ILE HB . . 4.890 4.186 3.997 4.467 . 0 0 "[ ]" 1
747 1 23 PHE HZ 1 59 ILE MD . . 4.000 3.968 3.716 4.134 0.134 2 0 "[ ]" 1
748 1 23 PHE HZ 1 59 ILE QG . . 4.730 4.551 4.424 4.694 . 0 0 "[ ]" 1
749 1 24 ASN H 1 24 ASN HB2 . . 3.680 3.727 3.677 3.801 0.121 3 0 "[ ]" 1
750 1 24 ASN H 1 24 ASN QB . . 2.920 2.553 2.387 2.668 . 0 0 "[ ]" 1
751 1 24 ASN H 1 24 ASN HB3 . . 3.680 2.601 2.418 2.725 . 0 0 "[ ]" 1
752 1 24 ASN H 1 24 ASN HD21 . . 4.510 4.399 4.164 4.658 0.148 3 0 "[ ]" 1
753 1 24 ASN H 1 24 ASN QD . . 3.810 4.022 3.842 4.174 0.364 3 0 "[ ]" 1
754 1 24 ASN H 1 24 ASN HD22 . . 4.510 4.667 4.509 4.778 0.268 1 0 "[ ]" 1
755 1 24 ASN H 1 25 GLU H . . 3.130 2.809 2.672 2.978 . 0 0 "[ ]" 1
756 1 24 ASN H 1 26 ASN H . . 4.520 4.520 4.369 4.748 0.228 1 0 "[ ]" 1
757 1 24 ASN H 1 51 TRP HH2 . . 5.500 5.723 5.496 5.887 0.387 2 0 "[ ]" 1
758 1 24 ASN H 1 51 TRP HZ3 . . 5.500 6.002 5.904 6.053 0.553 3 2 "[ -+]" 1
759 1 24 ASN H 1 52 PHE HZ . . 5.500 5.772 5.645 5.859 0.359 1 0 "[ ]" 1
760 1 24 ASN HA 1 24 ASN QB . . 2.620 2.106 2.038 2.155 . 0 0 "[ ]" 1
761 1 24 ASN HA 1 24 ASN QD . . 4.630 4.326 4.249 4.381 . 0 0 "[ ]" 1
762 1 24 ASN HA 1 26 ASN H . . 5.230 4.806 4.608 5.044 . 0 0 "[ ]" 1
763 1 24 ASN QB 1 24 ASN QD . . 2.840 2.187 2.152 2.247 . 0 0 "[ ]" 1
764 1 24 ASN QB 1 25 GLU H . . 3.500 3.815 3.760 3.848 0.348 3 0 "[ ]" 1
765 1 24 ASN QB 1 25 GLU QB . . 4.740 4.732 4.600 4.841 0.101 1 0 "[ ]" 1
766 1 24 ASN HB2 1 24 ASN HD22 . . 4.050 3.595 3.584 3.606 . 0 0 "[ ]" 1
767 1 24 ASN HB2 1 25 GLU H . . 4.320 4.274 4.224 4.332 0.012 3 0 "[ ]" 1
768 1 24 ASN HB2 1 25 GLU QB . . 5.500 5.146 4.965 5.302 . 0 0 "[ ]" 1
769 1 24 ASN HB3 1 24 ASN HD22 . . 4.050 3.554 3.454 3.617 . 0 0 "[ ]" 1
770 1 24 ASN HB3 1 25 GLU H . . 4.320 4.292 4.217 4.352 0.032 2 0 "[ ]" 1
771 1 24 ASN HB3 1 25 GLU QB . . 5.500 5.525 5.435 5.593 0.093 1 0 "[ ]" 1
772 1 24 ASN QD 1 25 GLU H . . 4.780 4.806 4.716 4.906 0.126 3 0 "[ ]" 1
773 1 24 ASN QD 1 25 GLU HA . . 5.340 5.746 5.620 5.914 0.574 1 1 "[+ ]" 1
774 1 24 ASN QD 1 25 GLU QB . . 5.340 4.856 4.768 4.970 . 0 0 "[ ]" 1
775 1 25 GLU H 1 25 GLU QB . . 2.850 2.233 2.196 2.292 . 0 0 "[ ]" 1
776 1 25 GLU H 1 25 GLU HG2 . . 4.940 4.638 4.474 4.775 . 0 0 "[ ]" 1
777 1 25 GLU H 1 25 GLU QG . . 4.130 4.027 3.953 4.090 . 0 0 "[ ]" 1
778 1 25 GLU H 1 25 GLU HG3 . . 4.940 4.423 4.401 4.448 . 0 0 "[ ]" 1
779 1 25 GLU H 1 26 ASN H . . 2.910 2.497 2.350 2.709 . 0 0 "[ ]" 1
780 1 25 GLU H 1 26 ASN HA . . 5.330 5.075 4.927 5.282 . 0 0 "[ ]" 1
781 1 25 GLU HA 1 25 GLU HG2 . . 3.810 3.733 3.692 3.795 . 0 0 "[ ]" 1
782 1 25 GLU HA 1 25 GLU QG . . 3.310 2.902 2.820 2.999 . 0 0 "[ ]" 1
783 1 25 GLU HA 1 25 GLU HG3 . . 3.810 3.029 2.926 3.166 . 0 0 "[ ]" 1
784 1 25 GLU QB 1 26 ASN H . . 3.050 2.668 2.406 2.926 . 0 0 "[ ]" 1
785 1 25 GLU QB 1 26 ASN HA . . 4.860 4.756 4.614 4.845 . 0 0 "[ ]" 1
786 1 25 GLU QB 1 26 ASN QB . . 4.290 3.915 3.816 4.100 . 0 0 "[ ]" 1
787 1 25 GLU QB 1 26 ASN QD . . 4.610 4.055 3.554 4.408 . 0 0 "[ ]" 1
788 1 25 GLU QG 1 26 ASN H . . 4.040 3.762 3.594 3.864 . 0 0 "[ ]" 1
789 1 25 GLU QG 1 26 ASN HA . . 4.500 4.485 4.432 4.588 0.088 2 0 "[ ]" 1
790 1 25 GLU QG 1 26 ASN QB . . 4.680 3.898 3.600 4.125 . 0 0 "[ ]" 1
791 1 25 GLU HG2 1 26 ASN H . . 4.600 4.822 4.528 5.078 0.478 3 0 "[ ]" 1
792 1 25 GLU HG3 1 26 ASN H . . 4.600 3.928 3.770 4.008 . 0 0 "[ ]" 1
793 1 26 ASN H 1 26 ASN HB2 . . 3.770 2.797 2.614 2.963 . 0 0 "[ ]" 1
794 1 26 ASN H 1 26 ASN HB3 . . 3.770 3.869 3.647 4.033 0.263 2 0 "[ ]" 1
795 1 26 ASN H 1 26 ASN QD . . 4.330 4.211 3.792 4.466 0.136 3 0 "[ ]" 1
796 1 26 ASN H 1 27 ARG HA . . 5.010 4.534 4.433 4.618 . 0 0 "[ ]" 1
797 1 26 ASN H 1 52 PHE QE . . 4.900 4.484 4.357 4.598 . 0 0 "[ ]" 1
798 1 26 ASN HA 1 26 ASN HD21 . . 4.860 4.353 4.110 4.534 . 0 0 "[ ]" 1
799 1 26 ASN HA 1 26 ASN QD . . 4.110 3.948 3.716 4.120 0.010 2 0 "[ ]" 1
800 1 26 ASN HA 1 26 ASN HD22 . . 4.860 4.520 4.240 4.731 . 0 0 "[ ]" 1
801 1 26 ASN HA 1 27 ARG H . . 2.690 2.267 2.252 2.284 . 0 0 "[ ]" 1
802 1 26 ASN HA 1 27 ARG HA . . 4.580 4.403 4.381 4.428 . 0 0 "[ ]" 1
803 1 26 ASN HA 1 27 ARG QB . . 5.070 4.467 4.418 4.496 . 0 0 "[ ]" 1
804 1 26 ASN HA 1 27 ARG HG2 . . 4.930 4.831 4.509 5.148 0.218 1 0 "[ ]" 1
805 1 26 ASN HA 1 27 ARG QG . . 4.240 3.595 3.533 3.663 . 0 0 "[ ]" 1
806 1 26 ASN HA 1 27 ARG HG3 . . 4.930 3.716 3.632 3.769 . 0 0 "[ ]" 1
807 1 26 ASN HA 1 28 TYR H . . 4.110 3.950 3.714 4.204 0.094 2 0 "[ ]" 1
808 1 26 ASN HA 1 28 TYR QD . . 5.500 5.384 5.282 5.437 . 0 0 "[ ]" 1
809 1 26 ASN QB 1 26 ASN QD . . 3.050 2.224 2.139 2.275 . 0 0 "[ ]" 1
810 1 26 ASN QB 1 27 ARG H . . 3.680 3.122 2.929 3.291 . 0 0 "[ ]" 1
811 1 26 ASN QB 1 27 ARG HA . . 4.900 4.525 4.505 4.547 . 0 0 "[ ]" 1
812 1 26 ASN QB 1 28 TYR H . . 3.280 2.844 2.736 3.031 . 0 0 "[ ]" 1
813 1 26 ASN QB 1 29 LEU QD . . 4.240 4.042 3.890 4.193 . 0 0 "[ ]" 1
814 1 26 ASN QB 1 52 PHE QE . . 5.140 4.415 4.328 4.512 . 0 0 "[ ]" 1
815 1 26 ASN HB2 1 27 ARG H . . 4.380 4.272 4.060 4.483 0.103 3 0 "[ ]" 1
816 1 26 ASN HB3 1 27 ARG H . . 4.380 3.210 3.005 3.386 . 0 0 "[ ]" 1
817 1 26 ASN QD 1 27 ARG H . . 5.340 5.559 5.482 5.640 0.300 3 0 "[ ]" 1
818 1 27 ARG H 1 27 ARG QB . . 3.600 2.429 2.322 2.530 . 0 0 "[ ]" 1
819 1 27 ARG H 1 27 ARG QD . . 4.720 4.009 3.839 4.225 . 0 0 "[ ]" 1
820 1 27 ARG H 1 27 ARG HE . . 5.270 4.993 4.947 5.060 . 0 0 "[ ]" 1
821 1 27 ARG H 1 27 ARG QG . . 3.710 2.430 2.339 2.573 . 0 0 "[ ]" 1
822 1 27 ARG H 1 28 TYR H . . 3.270 2.793 2.495 3.035 . 0 0 "[ ]" 1
823 1 27 ARG H 1 28 TYR HB2 . . 4.470 4.340 4.264 4.399 . 0 0 "[ ]" 1
824 1 27 ARG H 1 28 TYR QD . . 3.880 3.707 3.650 3.762 . 0 0 "[ ]" 1
825 1 27 ARG H 1 28 TYR QE . . 5.190 5.119 4.918 5.442 0.252 1 0 "[ ]" 1
826 1 27 ARG H 1 52 PHE QE . . 5.420 5.283 5.149 5.454 0.034 1 0 "[ ]" 1
827 1 27 ARG H 1 56 ARG QD . . 5.340 5.794 5.738 5.848 0.508 1 1 "[+ ]" 1
828 1 27 ARG HA 1 27 ARG QD . . 4.220 4.102 4.004 4.208 . 0 0 "[ ]" 1
829 1 27 ARG HA 1 27 ARG HG2 . . 3.860 2.700 2.566 2.867 . 0 0 "[ ]" 1
830 1 27 ARG HA 1 27 ARG QG . . 3.260 2.570 2.494 2.713 . 0 0 "[ ]" 1
831 1 27 ARG HA 1 27 ARG HG3 . . 3.860 3.259 3.032 3.394 . 0 0 "[ ]" 1
832 1 27 ARG HA 1 28 TYR QD . . 5.090 5.019 4.950 5.115 0.025 3 0 "[ ]" 1
833 1 27 ARG HA 1 52 PHE QD . . 4.300 3.487 3.435 3.578 . 0 0 "[ ]" 1
834 1 27 ARG HA 1 52 PHE QE . . 3.800 3.379 3.215 3.631 . 0 0 "[ ]" 1
835 1 27 ARG QB 1 27 ARG QD . . 3.490 2.253 2.233 2.289 . 0 0 "[ ]" 1
836 1 27 ARG QB 1 28 TYR H . . 4.670 3.630 3.467 3.849 . 0 0 "[ ]" 1
837 1 27 ARG QB 1 28 TYR QD . . 4.150 3.249 3.015 3.406 . 0 0 "[ ]" 1
838 1 27 ARG QB 1 28 TYR QE . . 4.790 3.466 3.256 3.762 . 0 0 "[ ]" 1
839 1 27 ARG QB 1 56 ARG HD2 . . 4.790 3.029 2.739 3.201 . 0 0 "[ ]" 1
840 1 27 ARG QB 1 56 ARG QD . . 4.120 2.980 2.703 3.145 . 0 0 "[ ]" 1
841 1 27 ARG QB 1 56 ARG HD3 . . 4.790 4.434 4.169 4.619 . 0 0 "[ ]" 1
842 1 27 ARG QB 1 56 ARG HE . . 4.900 3.890 3.665 4.115 . 0 0 "[ ]" 1
843 1 27 ARG QD 1 28 TYR QE . . 4.650 4.601 4.392 4.815 0.165 1 0 "[ ]" 1
844 1 27 ARG QD 1 56 ARG HA . . 4.940 4.425 4.300 4.550 . 0 0 "[ ]" 1
845 1 27 ARG QD 1 59 ILE MD . . 5.340 5.183 4.901 5.424 0.084 2 0 "[ ]" 1
846 1 27 ARG QD 1 59 ILE MG . . 5.340 5.205 5.091 5.416 0.076 2 0 "[ ]" 1
847 1 27 ARG HE 1 27 ARG QG . . 3.000 2.267 2.157 2.339 . 0 0 "[ ]" 1
848 1 27 ARG QG 1 28 TYR H . . 5.070 4.506 4.393 4.584 . 0 0 "[ ]" 1
849 1 27 ARG QG 1 56 ARG QD . . 4.760 4.995 4.717 5.137 0.377 3 0 "[ ]" 1
850 1 28 TYR H 1 28 TYR HB2 . . 3.410 2.640 2.481 2.931 . 0 0 "[ ]" 1
851 1 28 TYR H 1 28 TYR QD . . 3.560 3.569 3.268 3.939 0.379 2 0 "[ ]" 1
852 1 28 TYR H 1 28 TYR QE . . 5.500 5.387 5.050 5.581 0.081 2 0 "[ ]" 1
853 1 28 TYR H 1 52 PHE QE . . 4.510 3.789 3.099 4.284 . 0 0 "[ ]" 1
854 1 28 TYR HA 1 28 TYR QD . . 3.260 2.656 2.535 2.723 . 0 0 "[ ]" 1
855 1 28 TYR HA 1 28 TYR QE . . 4.890 4.550 4.440 4.656 . 0 0 "[ ]" 1
856 1 28 TYR HA 1 29 LEU H . . 3.080 2.417 2.229 2.698 . 0 0 "[ ]" 1
857 1 28 TYR HA 1 29 LEU QB . . 4.600 4.473 4.440 4.527 . 0 0 "[ ]" 1
858 1 28 TYR HA 1 29 LEU QD . . 5.500 4.345 4.275 4.394 . 0 0 "[ ]" 1
859 1 28 TYR HA 1 29 LEU HG . . 4.780 3.878 3.803 3.925 . 0 0 "[ ]" 1
860 1 28 TYR HA 1 52 PHE QD . . 4.120 3.208 3.103 3.345 . 0 0 "[ ]" 1
861 1 28 TYR HA 1 52 PHE QE . . 5.250 4.645 4.364 4.813 . 0 0 "[ ]" 1
862 1 28 TYR HA 1 53 GLN QG . . 5.500 6.215 6.135 6.272 0.772 2 3 [-+*] 1
863 1 28 TYR HB2 1 29 LEU H . . 4.720 3.675 3.636 3.713 . 0 0 "[ ]" 1
864 1 28 TYR HB3 1 29 LEU H . . 4.140 2.575 2.476 2.645 . 0 0 "[ ]" 1
865 1 28 TYR QD 1 29 LEU H . . 4.280 3.614 3.483 3.805 . 0 0 "[ ]" 1
866 1 28 TYR QD 1 52 PHE QD . . 5.500 5.189 5.133 5.274 . 0 0 "[ ]" 1
867 1 28 TYR QD 1 56 ARG HE . . 5.500 5.579 4.903 5.956 0.456 2 0 "[ ]" 1
868 1 28 TYR QE 1 53 GLN QG . . 5.020 5.086 4.967 5.254 0.234 2 0 "[ ]" 1
869 1 28 TYR QE 1 56 ARG HD2 . . 4.110 3.296 3.167 3.483 . 0 0 "[ ]" 1
870 1 28 TYR QE 1 56 ARG QD . . 3.510 2.992 2.931 3.073 . 0 0 "[ ]" 1
871 1 28 TYR QE 1 56 ARG HD3 . . 4.110 3.444 3.418 3.458 . 0 0 "[ ]" 1
872 1 29 LEU H 1 29 LEU QB . . 3.490 2.715 2.682 2.770 . 0 0 "[ ]" 1
873 1 29 LEU H 1 29 LEU QD . . 3.860 3.692 3.642 3.786 . 0 0 "[ ]" 1
874 1 29 LEU H 1 29 LEU HG . . 4.700 3.229 3.174 3.337 . 0 0 "[ ]" 1
875 1 29 LEU H 1 52 PHE HB2 . . 5.440 5.508 5.189 5.697 0.257 3 0 "[ ]" 1
876 1 29 LEU H 1 52 PHE QD . . 4.380 4.683 4.529 4.967 0.587 2 1 "[ + ]" 1
877 1 29 LEU HA 1 29 LEU QD . . 2.900 2.435 2.328 2.571 . 0 0 "[ ]" 1
878 1 29 LEU HA 1 30 THR H . . 2.800 2.424 2.281 2.499 . 0 0 "[ ]" 1
879 1 29 LEU HA 1 30 THR MG . . 3.650 3.555 3.393 3.779 0.129 2 0 "[ ]" 1
880 1 29 LEU HA 1 33 ARG QB . . 4.320 3.659 3.619 3.729 . 0 0 "[ ]" 1
881 1 29 LEU HA 1 33 ARG HE . . 5.310 5.687 5.500 5.927 0.617 2 1 "[ + ]" 1
882 1 29 LEU HA 1 34 ARG H . . 5.260 5.614 5.578 5.636 0.376 1 0 "[ ]" 1
883 1 29 LEU HA 1 52 PHE QD . . 5.500 5.726 5.609 5.799 0.299 3 0 "[ ]" 1
884 1 29 LEU HA 1 52 PHE QE . . 5.470 5.541 5.412 5.717 0.247 3 0 "[ ]" 1
885 1 29 LEU QB 1 29 LEU QD . . 2.810 1.949 1.898 1.985 . 0 0 "[ ]" 1
886 1 29 LEU QB 1 30 THR H . . 3.700 2.261 2.221 2.314 . 0 0 "[ ]" 1
887 1 29 LEU QB 1 33 ARG H . . 5.500 4.532 4.437 4.653 . 0 0 "[ ]" 1
888 1 29 LEU QB 1 34 ARG H . . 4.300 3.418 3.338 3.519 . 0 0 "[ ]" 1
889 1 29 LEU QB 1 34 ARG HA . . 4.890 3.854 3.730 4.068 . 0 0 "[ ]" 1
890 1 29 LEU QB 1 34 ARG HE . . 5.190 4.652 4.330 4.942 . 0 0 "[ ]" 1
891 1 29 LEU QB 1 34 ARG QG . . 2.930 2.287 2.145 2.481 . 0 0 "[ ]" 1
892 1 29 LEU QB 1 49 LYS HA . . 4.520 4.762 4.536 4.936 0.416 2 0 "[ ]" 1
893 1 29 LEU QB 1 52 PHE QD . . 5.010 4.718 4.687 4.747 . 0 0 "[ ]" 1
894 1 29 LEU QD 1 30 THR H . . 3.380 3.460 3.361 3.521 0.141 1 0 "[ ]" 1
895 1 29 LEU QD 1 33 ARG HA . . 4.810 4.705 4.530 4.850 0.040 1 0 "[ ]" 1
896 1 29 LEU QD 1 33 ARG QB . . 3.430 3.040 2.842 3.239 . 0 0 "[ ]" 1
897 1 29 LEU QD 1 33 ARG QD . . 3.690 4.165 4.047 4.369 0.679 1 1 "[+ ]" 1
898 1 29 LEU QD 1 33 ARG HE . . 4.160 3.572 3.537 3.605 . 0 0 "[ ]" 1
899 1 29 LEU QD 1 33 ARG HG2 . . 5.370 2.841 2.565 2.987 . 0 0 "[ ]" 1
900 1 29 LEU QD 1 33 ARG QG . . 3.060 2.448 2.331 2.599 . 0 0 "[ ]" 1
901 1 29 LEU QD 1 33 ARG HG3 . . 5.370 2.748 2.432 2.944 . 0 0 "[ ]" 1
902 1 29 LEU QD 1 33 ARG QH2 . . 5.060 4.696 4.662 4.714 . 0 0 "[ ]" 1
903 1 29 LEU QD 1 34 ARG H . . 3.720 3.699 3.589 3.769 0.049 1 0 "[ ]" 1
904 1 29 LEU QD 1 34 ARG HA . . 3.050 2.586 2.404 2.728 . 0 0 "[ ]" 1
905 1 29 LEU QD 1 34 ARG HB2 . . 4.000 4.125 4.038 4.277 0.277 2 0 "[ ]" 1
906 1 29 LEU QD 1 34 ARG HB3 . . 3.710 3.897 3.783 3.998 0.288 2 0 "[ ]" 1
907 1 29 LEU QD 1 34 ARG QD . . 4.110 2.898 2.744 2.995 . 0 0 "[ ]" 1
908 1 29 LEU QD 1 34 ARG QG . . 3.180 2.043 1.953 2.095 . 0 0 "[ ]" 1
909 1 29 LEU QD 1 35 GLN H . . 5.440 5.266 5.182 5.308 . 0 0 "[ ]" 1
910 1 29 LEU QD 1 37 LEU H . . 4.680 4.632 4.593 4.696 0.016 3 0 "[ ]" 1
911 1 29 LEU QD 1 37 LEU QB . . 3.670 3.620 3.520 3.673 0.003 3 0 "[ ]" 1
912 1 29 LEU QD 1 37 LEU QD . . 2.480 2.124 2.069 2.173 . 0 0 "[ ]" 1
913 1 29 LEU QD 1 38 SER H . . 5.440 5.325 5.135 5.471 0.031 2 0 "[ ]" 1
914 1 29 LEU QD 1 48 ILE HA . . 4.510 4.510 4.334 4.609 0.099 2 0 "[ ]" 1
915 1 29 LEU QD 1 48 ILE HB . . 4.710 3.839 3.774 3.902 . 0 0 "[ ]" 1
916 1 29 LEU QD 1 48 ILE QG . . 4.600 4.394 4.323 4.436 . 0 0 "[ ]" 1
917 1 29 LEU QD 1 48 ILE MG . . 2.710 2.042 2.008 2.075 . 0 0 "[ ]" 1
918 1 29 LEU QD 1 49 LYS H . . 4.940 4.631 4.533 4.699 . 0 0 "[ ]" 1
919 1 29 LEU QD 1 49 LYS HA . . 3.460 3.649 3.474 3.908 0.448 2 0 "[ ]" 1
920 1 29 LEU QD 1 49 LYS HB2 . . 4.700 5.041 4.967 5.178 0.478 2 0 "[ ]" 1
921 1 29 LEU QD 1 51 TRP HE3 . . 4.510 4.586 4.489 4.671 0.161 1 0 "[ ]" 1
922 1 29 LEU QD 1 52 PHE H . . 4.430 4.489 4.414 4.552 0.122 2 0 "[ ]" 1
923 1 29 LEU QD 1 52 PHE HA . . 4.550 4.966 4.869 5.025 0.475 1 0 "[ ]" 1
924 1 29 LEU QD 1 52 PHE HB2 . . 3.950 3.386 3.292 3.455 . 0 0 "[ ]" 1
925 1 29 LEU QD 1 52 PHE QD . . 3.090 2.706 2.642 2.792 . 0 0 "[ ]" 1
926 1 29 LEU QD 1 52 PHE QE . . 3.330 2.553 2.477 2.679 . 0 0 "[ ]" 1
927 1 29 LEU QD 1 52 PHE HZ . . 3.560 2.784 2.654 2.977 . 0 0 "[ ]" 1
928 1 29 LEU QD 1 53 GLN H . . 5.440 5.864 5.651 6.132 0.692 2 1 "[ + ]" 1
929 1 29 LEU HG 1 30 THR H . . 4.600 4.818 4.724 4.910 0.310 3 0 "[ ]" 1
930 1 29 LEU HG 1 33 ARG QB . . 3.630 5.272 5.136 5.403 1.773 2 3 [*+-] 1
931 1 29 LEU HG 1 34 ARG H . . 5.500 6.262 6.250 6.270 0.770 3 3 [*-+] 1
932 1 29 LEU HG 1 34 ARG HA . . 5.500 5.623 5.407 5.819 0.319 3 0 "[ ]" 1
933 1 29 LEU HG 1 34 ARG QD . . 5.500 4.962 4.722 5.257 . 0 0 "[ ]" 1
934 1 29 LEU HG 1 52 PHE HB2 . . 5.500 4.105 3.922 4.246 . 0 0 "[ ]" 1
935 1 29 LEU HG 1 52 PHE QD . . 5.140 3.394 3.352 3.473 . 0 0 "[ ]" 1
936 1 29 LEU HG 1 52 PHE QE . . 4.230 3.637 3.548 3.688 . 0 0 "[ ]" 1
937 1 30 THR H 1 30 THR MG . . 2.860 2.775 2.614 2.978 0.118 2 0 "[ ]" 1
938 1 30 THR H 1 31 GLU H . . 4.930 4.522 4.449 4.566 . 0 0 "[ ]" 1
939 1 30 THR H 1 33 ARG H . . 3.960 3.583 3.464 3.705 . 0 0 "[ ]" 1
940 1 30 THR H 1 33 ARG QB . . 3.260 2.319 2.209 2.383 . 0 0 "[ ]" 1
941 1 30 THR H 1 33 ARG QD . . 5.500 5.069 4.850 5.201 . 0 0 "[ ]" 1
942 1 30 THR H 1 33 ARG HE . . 5.500 6.037 5.912 6.103 0.603 2 2 "[ +-]" 1
943 1 30 THR H 1 33 ARG HG2 . . 5.160 3.898 3.820 3.994 . 0 0 "[ ]" 1
944 1 30 THR H 1 33 ARG QG . . 4.360 3.708 3.581 3.831 . 0 0 "[ ]" 1
945 1 30 THR H 1 33 ARG HG3 . . 5.160 4.662 4.326 4.926 . 0 0 "[ ]" 1
946 1 30 THR H 1 34 ARG H . . 4.390 3.795 3.662 3.932 . 0 0 "[ ]" 1
947 1 30 THR H 1 34 ARG HB2 . . 5.470 5.485 5.418 5.524 0.054 1 0 "[ ]" 1
948 1 30 THR H 1 34 ARG QD . . 5.500 5.606 5.544 5.726 0.226 3 0 "[ ]" 1
949 1 30 THR H 1 34 ARG QG . . 4.100 4.021 3.888 4.106 0.006 1 0 "[ ]" 1
950 1 30 THR HA 1 30 THR MG . . 2.560 2.508 2.398 2.633 0.073 1 0 "[ ]" 1
951 1 30 THR HA 1 31 GLU H . . 3.110 2.548 2.313 2.723 . 0 0 "[ ]" 1
952 1 30 THR HA 1 31 GLU QG . . 3.920 4.418 4.151 4.680 0.760 3 2 "[ -+]" 1
953 1 30 THR HA 1 33 ARG H . . 4.770 4.786 4.681 4.907 0.137 3 0 "[ ]" 1
954 1 30 THR HA 1 34 ARG QG . . 5.500 5.044 4.885 5.184 . 0 0 "[ ]" 1
955 1 30 THR HB 1 31 GLU H . . 2.810 2.461 2.236 2.595 . 0 0 "[ ]" 1
956 1 30 THR HB 1 31 GLU HA . . 5.080 4.977 4.822 5.118 0.038 2 0 "[ ]" 1
957 1 30 THR HB 1 32 ARG H . . 3.700 3.309 3.168 3.572 . 0 0 "[ ]" 1
958 1 30 THR HB 1 32 ARG QB . . 5.340 4.529 4.120 4.780 . 0 0 "[ ]" 1
959 1 30 THR HB 1 33 ARG H . . 4.460 3.808 3.683 3.983 . 0 0 "[ ]" 1
960 1 30 THR HB 1 34 ARG H . . 5.500 5.412 5.272 5.570 0.070 1 0 "[ ]" 1
961 1 30 THR MG 1 32 ARG H . . 4.200 4.751 4.634 4.980 0.780 1 1 "[+ ]" 1
962 1 30 THR MG 1 33 ARG H . . 4.660 4.396 4.339 4.496 . 0 0 "[ ]" 1
963 1 30 THR MG 1 34 ARG H . . 5.070 5.573 5.454 5.663 0.593 1 2 "[+- ]" 1
964 1 31 GLU H 1 31 GLU HB2 . . 4.170 2.700 2.474 2.922 . 0 0 "[ ]" 1
965 1 31 GLU H 1 31 GLU QB . . 3.660 2.631 2.434 2.820 . 0 0 "[ ]" 1
966 1 31 GLU H 1 31 GLU HB3 . . 4.170 3.669 3.611 3.717 . 0 0 "[ ]" 1
967 1 31 GLU H 1 31 GLU HG2 . . 3.750 2.867 2.342 3.824 0.074 3 0 "[ ]" 1
968 1 31 GLU H 1 31 GLU QG . . 3.080 2.627 2.321 3.155 0.075 3 0 "[ ]" 1
969 1 31 GLU H 1 31 GLU HG3 . . 3.750 3.630 3.360 3.790 0.040 1 0 "[ ]" 1
970 1 31 GLU H 1 32 ARG H . . 3.460 2.845 2.664 2.988 . 0 0 "[ ]" 1
971 1 31 GLU H 1 32 ARG HA . . 5.180 5.464 5.285 5.603 0.423 1 0 "[ ]" 1
972 1 31 GLU H 1 32 ARG QB . . 5.120 4.870 4.702 5.080 . 0 0 "[ ]" 1
973 1 31 GLU H 1 33 ARG H . . 4.890 4.256 4.218 4.293 . 0 0 "[ ]" 1
974 1 31 GLU H 1 34 ARG H . . 5.270 4.953 4.862 5.029 . 0 0 "[ ]" 1
975 1 31 GLU HA 1 31 GLU QG . . 2.950 2.952 2.776 3.049 0.099 1 0 "[ ]" 1
976 1 31 GLU HA 1 33 ARG H . . 4.580 4.463 4.154 4.704 0.124 2 0 "[ ]" 1
977 1 31 GLU HA 1 34 ARG H . . 4.390 3.768 3.511 4.125 . 0 0 "[ ]" 1
978 1 31 GLU HA 1 34 ARG QD . . 5.500 4.348 4.276 4.393 . 0 0 "[ ]" 1
979 1 31 GLU HA 1 34 ARG QG . . 5.370 4.173 4.023 4.373 . 0 0 "[ ]" 1
980 1 31 GLU HA 1 35 GLN H . . 5.500 4.700 4.448 4.954 . 0 0 "[ ]" 1
981 1 31 GLU QB 1 33 ARG H . . 5.340 4.696 4.627 4.748 . 0 0 "[ ]" 1
982 1 32 ARG H 1 32 ARG QB . . 2.830 2.409 2.280 2.475 . 0 0 "[ ]" 1
983 1 32 ARG H 1 33 ARG H . . 3.320 2.952 2.851 3.134 . 0 0 "[ ]" 1
984 1 32 ARG H 1 33 ARG QB . . 4.630 4.688 4.557 4.894 0.264 1 0 "[ ]" 1
985 1 32 ARG H 1 34 ARG H . . 4.440 4.466 4.405 4.558 0.118 1 0 "[ ]" 1
986 1 32 ARG H 1 35 GLN H . . 5.500 5.265 5.119 5.443 . 0 0 "[ ]" 1
987 1 32 ARG HA 1 32 ARG QD . . 3.770 3.618 2.482 4.321 0.551 1 1 "[+ ]" 1
988 1 32 ARG HA 1 32 ARG HG2 . . 3.670 3.627 3.571 3.678 0.008 3 0 "[ ]" 1
989 1 32 ARG HA 1 32 ARG QG . . 3.170 3.251 3.059 3.361 0.191 3 0 "[ ]" 1
990 1 32 ARG HA 1 32 ARG HG3 . . 3.670 3.697 3.326 3.887 0.217 3 0 "[ ]" 1
991 1 32 ARG HA 1 34 ARG H . . 5.020 4.672 4.541 4.784 . 0 0 "[ ]" 1
992 1 32 ARG HA 1 35 GLN HB3 . . 3.790 3.806 3.343 4.478 0.688 1 1 "[+ ]" 1
993 1 32 ARG HA 1 35 GLN HG3 . . 4.680 3.317 3.210 3.433 . 0 0 "[ ]" 1
994 1 32 ARG QB 1 32 ARG QD . . 3.320 2.438 2.035 3.051 . 0 0 "[ ]" 1
995 1 32 ARG QB 1 33 ARG H . . 3.430 3.441 3.044 3.831 0.401 1 0 "[ ]" 1
996 1 33 ARG H 1 33 ARG QB . . 2.960 2.276 2.245 2.329 . 0 0 "[ ]" 1
997 1 33 ARG H 1 33 ARG QD . . 4.510 4.296 4.205 4.348 . 0 0 "[ ]" 1
998 1 33 ARG H 1 33 ARG HG2 . . 5.000 4.616 4.483 4.708 . 0 0 "[ ]" 1
999 1 33 ARG H 1 33 ARG QG . . 4.150 4.084 4.024 4.166 0.016 1 0 "[ ]" 1
1000 1 33 ARG H 1 33 ARG HG3 . . 5.000 4.563 4.439 4.698 . 0 0 "[ ]" 1
1001 1 33 ARG H 1 34 ARG H . . 3.120 2.525 2.395 2.709 . 0 0 "[ ]" 1
1002 1 33 ARG H 1 34 ARG HA . . 5.050 5.190 5.097 5.346 0.296 3 0 "[ ]" 1
1003 1 33 ARG H 1 34 ARG HB2 . . 4.780 4.675 4.502 4.800 0.020 2 0 "[ ]" 1
1004 1 33 ARG H 1 35 GLN H . . 4.020 4.191 4.139 4.232 0.212 1 0 "[ ]" 1
1005 1 33 ARG H 1 35 GLN HB3 . . 5.500 5.629 5.463 5.820 0.320 1 0 "[ ]" 1
1006 1 33 ARG H 1 36 GLN H . . 5.500 5.138 5.097 5.211 . 0 0 "[ ]" 1
1007 1 33 ARG HA 1 33 ARG QD . . 3.140 2.485 2.350 2.609 . 0 0 "[ ]" 1
1008 1 33 ARG HA 1 33 ARG QG . . 3.250 2.857 2.479 3.140 . 0 0 "[ ]" 1
1009 1 33 ARG HA 1 36 GLN H . . 3.780 3.361 3.198 3.478 . 0 0 "[ ]" 1
1010 1 33 ARG HA 1 36 GLN QB . . 3.750 3.048 2.952 3.179 . 0 0 "[ ]" 1
1011 1 33 ARG HA 1 37 LEU H . . 5.500 4.704 4.448 4.910 . 0 0 "[ ]" 1
1012 1 33 ARG HA 1 37 LEU QD . . 5.380 5.200 5.175 5.247 . 0 0 "[ ]" 1
1013 1 33 ARG QB 1 33 ARG HE . . 3.890 3.864 3.690 3.968 0.078 3 0 "[ ]" 1
1014 1 33 ARG QB 1 34 ARG H . . 3.400 2.837 2.660 2.932 . 0 0 "[ ]" 1
1015 1 33 ARG QB 1 36 GLN H . . 5.500 5.083 4.942 5.290 . 0 0 "[ ]" 1
1016 1 33 ARG QD 1 33 ARG QH2 . . 3.870 3.654 3.610 3.727 . 0 0 "[ ]" 1
1017 1 33 ARG QD 1 34 ARG H . . 5.340 5.156 4.991 5.285 . 0 0 "[ ]" 1
1018 1 33 ARG QD 1 36 GLN QB . . 4.310 3.330 3.099 3.633 . 0 0 "[ ]" 1
1019 1 33 ARG QD 1 37 LEU H . . 5.340 5.081 4.780 5.364 0.024 3 0 "[ ]" 1
1020 1 33 ARG QD 1 37 LEU QD . . 4.280 4.513 4.332 4.757 0.477 3 0 "[ ]" 1
1021 1 33 ARG HE 1 33 ARG QG . . 3.300 2.076 1.894 2.203 . 0 0 "[ ]" 1
1022 1 33 ARG HE 1 36 GLN QB . . 5.500 5.258 4.880 5.448 . 0 0 "[ ]" 1
1023 1 33 ARG HE 1 37 LEU QD . . 4.480 4.181 3.947 4.310 . 0 0 "[ ]" 1
1024 1 33 ARG QG 1 34 ARG H . . 4.310 4.147 4.072 4.289 . 0 0 "[ ]" 1
1025 1 33 ARG QG 1 37 LEU H . . 4.750 4.538 4.237 4.795 0.045 2 0 "[ ]" 1
1026 1 33 ARG QG 1 37 LEU QD . . 3.370 3.409 3.330 3.484 0.114 3 0 "[ ]" 1
1027 1 33 ARG QH1 1 36 GLN QG . . 4.980 4.918 4.859 5.003 0.023 3 0 "[ ]" 1
1028 1 34 ARG H 1 34 ARG HB2 . . 3.240 2.464 2.330 2.688 . 0 0 "[ ]" 1
1029 1 34 ARG H 1 34 ARG HB3 . . 3.690 3.673 3.617 3.765 0.075 2 0 "[ ]" 1
1030 1 34 ARG H 1 34 ARG QD . . 5.210 4.569 4.456 4.641 . 0 0 "[ ]" 1
1031 1 34 ARG H 1 34 ARG HE . . 5.290 4.653 4.526 4.865 . 0 0 "[ ]" 1
1032 1 34 ARG H 1 34 ARG QG . . 3.770 2.830 2.665 2.985 . 0 0 "[ ]" 1
1033 1 34 ARG H 1 35 GLN H . . 3.150 2.886 2.761 2.993 . 0 0 "[ ]" 1
1034 1 34 ARG H 1 35 GLN HA . . 5.460 5.503 5.420 5.554 0.094 2 0 "[ ]" 1
1035 1 34 ARG H 1 35 GLN HB3 . . 5.120 4.839 4.655 5.043 . 0 0 "[ ]" 1
1036 1 34 ARG H 1 35 GLN HG3 . . 5.250 5.157 4.731 5.400 0.150 2 0 "[ ]" 1
1037 1 34 ARG H 1 36 GLN H . . 4.390 4.458 4.181 4.707 0.317 3 0 "[ ]" 1
1038 1 34 ARG H 1 37 LEU H . . 5.470 5.393 5.342 5.461 . 0 0 "[ ]" 1
1039 1 34 ARG H 1 37 LEU QD . . 5.160 5.104 4.911 5.274 0.114 1 0 "[ ]" 1
1040 1 34 ARG H 1 48 ILE MG . . 4.960 5.283 5.064 5.413 0.453 2 0 "[ ]" 1
1041 1 34 ARG HA 1 34 ARG QD . . 4.490 4.067 4.022 4.120 . 0 0 "[ ]" 1
1042 1 34 ARG HA 1 34 ARG HE . . 5.360 5.423 5.285 5.573 0.213 2 0 "[ ]" 1
1043 1 34 ARG HA 1 34 ARG QG . . 3.270 2.383 2.303 2.446 . 0 0 "[ ]" 1
1044 1 34 ARG HA 1 36 GLN H . . 4.780 4.375 4.084 4.570 . 0 0 "[ ]" 1
1045 1 34 ARG HA 1 37 LEU H . . 3.930 3.812 3.733 3.942 0.012 1 0 "[ ]" 1
1046 1 34 ARG HA 1 37 LEU QB . . 3.760 3.374 3.191 3.702 . 0 0 "[ ]" 1
1047 1 34 ARG HA 1 37 LEU QD . . 3.570 3.309 3.115 3.517 . 0 0 "[ ]" 1
1048 1 34 ARG HA 1 37 LEU HG . . 4.680 4.387 4.335 4.421 . 0 0 "[ ]" 1
1049 1 34 ARG HA 1 38 SER H . . 4.520 4.090 3.911 4.257 . 0 0 "[ ]" 1
1050 1 34 ARG HA 1 48 ILE HB . . 4.250 4.458 4.310 4.582 0.332 1 0 "[ ]" 1
1051 1 34 ARG HA 1 48 ILE MD . . 4.230 3.630 3.532 3.722 . 0 0 "[ ]" 1
1052 1 34 ARG HA 1 48 ILE QG . . 4.790 5.310 5.048 5.477 0.687 1 2 "[+- ]" 1
1053 1 34 ARG HA 1 48 ILE MG . . 3.490 2.989 2.836 3.124 . 0 0 "[ ]" 1
1054 1 34 ARG HB2 1 34 ARG HE . . 4.560 2.924 2.776 3.028 . 0 0 "[ ]" 1
1055 1 34 ARG HB2 1 35 GLN H . . 3.600 3.017 2.741 3.204 . 0 0 "[ ]" 1
1056 1 34 ARG HB3 1 34 ARG HE . . 5.060 3.813 3.636 3.948 . 0 0 "[ ]" 1
1057 1 34 ARG HB3 1 35 GLN H . . 3.720 3.602 3.360 3.793 0.073 3 0 "[ ]" 1
1058 1 34 ARG HB3 1 45 GLU H . . 5.400 5.753 5.503 5.889 0.489 3 0 "[ ]" 1
1059 1 34 ARG HB3 1 45 GLU HA . . 4.110 3.356 3.250 3.422 . 0 0 "[ ]" 1
1060 1 34 ARG HB3 1 45 GLU QG . . 4.570 3.464 3.231 3.780 . 0 0 "[ ]" 1
1061 1 34 ARG HB3 1 48 ILE HB . . 3.530 3.865 3.824 3.889 0.359 2 0 "[ ]" 1
1062 1 34 ARG HB3 1 48 ILE MD . . 3.310 3.701 3.591 3.894 0.584 3 1 "[ +]" 1
1063 1 34 ARG HB3 1 48 ILE MG . . 3.810 3.762 3.594 3.971 0.161 2 0 "[ ]" 1
1064 1 34 ARG QD 1 45 GLU HA . . 4.420 3.719 3.608 3.790 . 0 0 "[ ]" 1
1065 1 34 ARG QD 1 45 GLU HB3 . . 4.080 2.986 2.860 3.087 . 0 0 "[ ]" 1
1066 1 34 ARG QD 1 45 GLU QG . . 4.870 4.240 4.066 4.465 . 0 0 "[ ]" 1
1067 1 34 ARG QD 1 46 ALA HA . . 5.500 5.060 4.836 5.284 . 0 0 "[ ]" 1
1068 1 34 ARG QD 1 48 ILE H . . 5.500 5.151 4.989 5.433 . 0 0 "[ ]" 1
1069 1 34 ARG QD 1 48 ILE HA . . 5.500 5.724 5.640 5.829 0.329 2 0 "[ ]" 1
1070 1 34 ARG QD 1 48 ILE HB . . 4.690 3.770 3.729 3.850 . 0 0 "[ ]" 1
1071 1 34 ARG QD 1 48 ILE MD . . 5.280 4.678 4.597 4.774 . 0 0 "[ ]" 1
1072 1 34 ARG QD 1 48 ILE MG . . 4.540 3.588 3.385 3.815 . 0 0 "[ ]" 1
1073 1 34 ARG QD 1 49 LYS H . . 4.340 3.512 3.415 3.562 . 0 0 "[ ]" 1
1074 1 34 ARG QD 1 49 LYS HA . . 4.540 2.952 2.785 3.228 . 0 0 "[ ]" 1
1075 1 34 ARG QD 1 49 LYS HB2 . . 3.770 2.814 2.702 2.883 . 0 0 "[ ]" 1
1076 1 34 ARG QD 1 49 LYS HB3 . . 5.030 4.235 4.163 4.334 . 0 0 "[ ]" 1
1077 1 34 ARG QD 1 49 LYS QD . . 3.750 3.358 3.209 3.636 . 0 0 "[ ]" 1
1078 1 34 ARG HE 1 34 ARG QG . . 3.820 3.205 3.146 3.317 . 0 0 "[ ]" 1
1079 1 34 ARG HE 1 45 GLU HB3 . . 5.200 4.208 4.130 4.293 . 0 0 "[ ]" 1
1080 1 34 ARG HE 1 49 LYS HA . . 4.860 5.698 5.529 5.964 1.104 2 3 [*+-] 1
1081 1 34 ARG HE 1 49 LYS HB2 . . 4.850 4.788 4.690 4.905 0.055 1 0 "[ ]" 1
1082 1 34 ARG HE 1 49 LYS QD . . 5.340 4.146 3.918 4.520 . 0 0 "[ ]" 1
1083 1 34 ARG HE 1 49 LYS QE . . 4.310 3.706 3.535 3.846 . 0 0 "[ ]" 1
1084 1 34 ARG QG 1 38 SER QB . . 5.340 5.165 4.957 5.368 0.028 2 0 "[ ]" 1
1085 1 34 ARG QG 1 45 GLU HA . . 4.240 4.244 3.988 4.416 0.176 3 0 "[ ]" 1
1086 1 34 ARG QG 1 45 GLU QG . . 4.260 4.928 4.649 5.226 0.966 3 2 "[ -+]" 1
1087 1 34 ARG QG 1 48 ILE HA . . 5.500 5.334 5.245 5.501 0.001 2 0 "[ ]" 1
1088 1 34 ARG QG 1 48 ILE HB . . 3.640 3.165 3.040 3.254 . 0 0 "[ ]" 1
1089 1 34 ARG QG 1 48 ILE MD . . 4.040 3.886 3.699 4.112 0.072 3 0 "[ ]" 1
1090 1 34 ARG QG 1 48 ILE QG . . 4.790 4.883 4.784 4.998 0.208 2 0 "[ ]" 1
1091 1 34 ARG QG 1 48 ILE MG . . 3.320 2.520 2.328 2.794 . 0 0 "[ ]" 1
1092 1 34 ARG QG 1 49 LYS H . . 4.020 4.202 4.073 4.277 0.257 3 0 "[ ]" 1
1093 1 34 ARG QG 1 49 LYS QE . . 5.000 5.120 5.062 5.203 0.203 2 0 "[ ]" 1
1094 1 35 GLN H 1 35 GLN HB2 . . 3.640 3.485 3.347 3.564 . 0 0 "[ ]" 1
1095 1 35 GLN H 1 35 GLN HB3 . . 3.090 2.150 1.988 2.243 . 0 0 "[ ]" 1
1096 1 35 GLN H 1 35 GLN HE21 . . 5.380 5.179 4.965 5.435 0.055 3 0 "[ ]" 1
1097 1 35 GLN H 1 35 GLN HG2 . . 3.860 3.908 3.832 3.980 0.120 3 0 "[ ]" 1
1098 1 35 GLN H 1 35 GLN HG3 . . 3.320 2.907 2.831 3.023 . 0 0 "[ ]" 1
1099 1 35 GLN H 1 36 GLN H . . 2.940 2.916 2.722 3.020 0.080 1 0 "[ ]" 1
1100 1 35 GLN HA 1 35 GLN HE21 . . 5.390 5.445 5.299 5.653 0.263 3 0 "[ ]" 1
1101 1 35 GLN HA 1 35 GLN HG3 . . 3.720 3.792 3.665 3.857 0.137 1 0 "[ ]" 1
1102 1 35 GLN HA 1 37 LEU H . . 5.390 4.746 4.550 4.988 . 0 0 "[ ]" 1
1103 1 35 GLN HB2 1 35 GLN HE22 . . 5.310 4.721 4.568 4.944 . 0 0 "[ ]" 1
1104 1 35 GLN HE21 1 36 GLN HA . . 4.900 3.932 3.486 4.185 . 0 0 "[ ]" 1
1105 1 35 GLN HE21 1 36 GLN QB . . 4.640 3.751 3.663 3.921 . 0 0 "[ ]" 1
1106 1 35 GLN HE21 1 36 GLN QG . . 4.260 4.400 3.850 4.965 0.705 3 1 "[ +]" 1
1107 1 35 GLN HE22 1 35 GLN HG3 . . 3.560 3.590 3.527 3.622 0.062 1 0 "[ ]" 1
1108 1 35 GLN HE22 1 36 GLN HA . . 4.000 3.680 3.442 3.979 . 0 0 "[ ]" 1
1109 1 35 GLN HE22 1 36 GLN QB . . 4.630 4.347 3.880 4.717 0.087 2 0 "[ ]" 1
1110 1 35 GLN HE22 1 36 GLN QG . . 4.980 4.367 4.330 4.404 . 0 0 "[ ]" 1
1111 1 35 GLN HG2 1 36 GLN H . . 4.910 4.450 4.209 4.769 . 0 0 "[ ]" 1
1112 1 35 GLN HG3 1 36 GLN H . . 4.860 2.806 2.547 3.279 . 0 0 "[ ]" 1
1113 1 35 GLN HG3 1 36 GLN HA . . 5.500 4.344 4.024 4.795 . 0 0 "[ ]" 1
1114 1 36 GLN H 1 36 GLN QB . . 3.010 2.080 1.902 2.191 . 0 0 "[ ]" 1
1115 1 36 GLN H 1 36 GLN QG . . 4.200 3.893 3.691 4.005 . 0 0 "[ ]" 1
1116 1 36 GLN H 1 37 LEU H . . 3.140 2.830 2.610 3.137 . 0 0 "[ ]" 1
1117 1 36 GLN H 1 37 LEU HA . . 5.500 5.446 5.384 5.553 0.053 2 0 "[ ]" 1
1118 1 36 GLN H 1 37 LEU QB . . 5.500 4.954 4.818 5.044 . 0 0 "[ ]" 1
1119 1 36 GLN H 1 39 SER H . . 5.500 4.787 4.704 4.888 . 0 0 "[ ]" 1
1120 1 36 GLN HA 1 36 GLN QE . . 4.790 4.536 4.215 4.773 . 0 0 "[ ]" 1
1121 1 36 GLN HA 1 36 GLN QG . . 3.780 2.297 2.244 2.340 . 0 0 "[ ]" 1
1122 1 36 GLN HA 1 37 LEU QD . . 5.440 5.399 5.193 5.547 0.107 2 0 "[ ]" 1
1123 1 36 GLN QB 1 37 LEU H . . 3.420 2.275 2.242 2.313 . 0 0 "[ ]" 1
1124 1 36 GLN QB 1 37 LEU HA . . 4.930 4.111 4.019 4.166 . 0 0 "[ ]" 1
1125 1 36 GLN QG 1 37 LEU H . . 4.390 4.008 3.909 4.073 . 0 0 "[ ]" 1
1126 1 36 GLN QG 1 37 LEU HA . . 5.090 4.560 4.448 4.656 . 0 0 "[ ]" 1
1127 1 36 GLN QG 1 40 GLU H . . 4.920 4.560 4.341 4.701 . 0 0 "[ ]" 1
1128 1 37 LEU H 1 37 LEU QB . . 3.100 2.631 2.429 2.751 . 0 0 "[ ]" 1
1129 1 37 LEU H 1 37 LEU QD . . 3.500 3.222 3.113 3.379 . 0 0 "[ ]" 1
1130 1 37 LEU H 1 37 LEU HG . . 3.950 2.371 2.236 2.615 . 0 0 "[ ]" 1
1131 1 37 LEU H 1 38 SER H . . 3.100 2.811 2.669 2.891 . 0 0 "[ ]" 1
1132 1 37 LEU H 1 38 SER HA . . 5.500 5.535 5.366 5.628 0.128 3 0 "[ ]" 1
1133 1 37 LEU H 1 38 SER QB . . 5.340 4.404 4.201 4.523 . 0 0 "[ ]" 1
1134 1 37 LEU H 1 39 SER H . . 4.380 4.339 4.210 4.478 0.098 2 0 "[ ]" 1
1135 1 37 LEU H 1 40 GLU H . . 4.640 4.751 4.664 4.809 0.169 2 0 "[ ]" 1
1136 1 37 LEU H 1 41 LEU QD . . 5.440 5.581 5.382 5.728 0.288 1 0 "[ ]" 1
1137 1 37 LEU H 1 48 ILE MG . . 4.760 4.747 4.668 4.831 0.071 1 0 "[ ]" 1
1138 1 37 LEU HA 1 37 LEU QD . . 2.680 2.267 2.123 2.467 . 0 0 "[ ]" 1
1139 1 37 LEU HA 1 37 LEU HG . . 3.600 2.989 2.891 3.143 . 0 0 "[ ]" 1
1140 1 37 LEU HA 1 39 SER H . . 4.620 4.404 4.193 4.607 . 0 0 "[ ]" 1
1141 1 37 LEU HA 1 40 GLU H . . 3.630 3.337 3.190 3.531 . 0 0 "[ ]" 1
1142 1 37 LEU HA 1 40 GLU QB . . 3.490 3.024 2.964 3.107 . 0 0 "[ ]" 1
1143 1 37 LEU HA 1 40 GLU QG . . 4.760 4.663 4.591 4.737 . 0 0 "[ ]" 1
1144 1 37 LEU HA 1 41 LEU H . . 4.130 3.696 3.532 3.852 . 0 0 "[ ]" 1
1145 1 37 LEU HA 1 41 LEU QD . . 3.620 3.654 3.606 3.736 0.116 1 0 "[ ]" 1
1146 1 37 LEU HA 1 43 LEU QD . . 5.440 6.080 5.648 6.520 1.080 1 2 "[+ -]" 1
1147 1 37 LEU HA 1 48 ILE QG . . 5.430 5.535 5.091 5.962 0.532 1 1 "[+ ]" 1
1148 1 37 LEU QB 1 37 LEU QD . . 2.750 1.997 1.900 2.061 . 0 0 "[ ]" 1
1149 1 37 LEU QB 1 37 LEU HG . . 2.760 2.451 2.359 2.535 . 0 0 "[ ]" 1
1150 1 37 LEU QB 1 38 SER H . . 3.170 2.627 2.497 2.795 . 0 0 "[ ]" 1
1151 1 37 LEU QB 1 38 SER QB . . 4.380 4.046 3.980 4.103 . 0 0 "[ ]" 1
1152 1 37 LEU QB 1 41 LEU QD . . 3.780 2.940 2.745 3.124 . 0 0 "[ ]" 1
1153 1 37 LEU QB 1 48 ILE QG . . 3.370 3.206 2.750 3.616 0.246 1 0 "[ ]" 1
1154 1 37 LEU QB 1 48 ILE MG . . 3.290 2.598 2.465 2.784 . 0 0 "[ ]" 1
1155 1 37 LEU QD 1 40 GLU QB . . 4.200 3.672 3.609 3.715 . 0 0 "[ ]" 1
1156 1 37 LEU QD 1 40 GLU QG . . 4.280 4.444 4.344 4.540 0.260 1 0 "[ ]" 1
1157 1 37 LEU QD 1 48 ILE HB . . 5.000 4.678 4.490 5.016 0.016 1 0 "[ ]" 1
1158 1 37 LEU QD 1 51 TRP QB . . 5.440 5.401 5.144 5.662 0.222 1 0 "[ ]" 1
1159 1 37 LEU QD 1 52 PHE QD . . 4.500 3.959 3.796 4.072 . 0 0 "[ ]" 1
1160 1 37 LEU QD 1 52 PHE QE . . 3.240 2.477 2.334 2.605 . 0 0 "[ ]" 1
1161 1 37 LEU HG 1 48 ILE MG . . 3.980 4.357 4.307 4.443 0.463 1 0 "[ ]" 1
1162 1 37 LEU HG 1 52 PHE QE . . 5.120 5.421 5.280 5.567 0.447 2 0 "[ ]" 1
1163 1 38 SER H 1 38 SER QB . . 2.900 2.192 2.151 2.241 . 0 0 "[ ]" 1
1164 1 38 SER H 1 39 SER H . . 3.110 2.964 2.849 3.082 . 0 0 "[ ]" 1
1165 1 38 SER H 1 40 GLU H . . 4.120 4.328 4.192 4.545 0.425 3 0 "[ ]" 1
1166 1 38 SER H 1 42 GLY H . . 5.500 5.776 5.510 6.091 0.591 3 1 "[ +]" 1
1167 1 38 SER H 1 43 LEU H . . 5.500 5.382 5.285 5.460 . 0 0 "[ ]" 1
1168 1 38 SER H 1 48 ILE MD . . 3.330 2.571 2.450 2.667 . 0 0 "[ ]" 1
1169 1 38 SER H 1 48 ILE QG . . 4.150 4.613 4.388 4.740 0.590 2 2 "[-+ ]" 1
1170 1 38 SER H 1 48 ILE MG . . 4.610 4.227 4.083 4.443 . 0 0 "[ ]" 1
1171 1 38 SER HA 1 40 GLU H . . 4.790 4.693 4.469 4.983 0.193 3 0 "[ ]" 1
1172 1 38 SER HA 1 41 LEU H . . 5.070 4.163 3.989 4.352 . 0 0 "[ ]" 1
1173 1 38 SER HA 1 41 LEU QD . . 4.610 5.026 4.890 5.180 0.570 3 1 "[ +]" 1
1174 1 38 SER HA 1 42 GLY H . . 4.120 3.847 3.550 4.228 0.108 3 0 "[ ]" 1
1175 1 38 SER HA 1 43 LEU H . . 3.220 2.596 2.372 2.729 . 0 0 "[ ]" 1
1176 1 38 SER HA 1 43 LEU QB . . 4.120 3.188 3.083 3.295 . 0 0 "[ ]" 1
1177 1 38 SER HA 1 43 LEU QD . . 3.650 4.412 4.149 4.566 0.916 1 2 "[+ -]" 1
1178 1 38 SER HA 1 43 LEU HG . . 4.020 4.515 4.308 4.704 0.684 3 2 "[- +]" 1
1179 1 38 SER HA 1 44 ASN H . . 5.500 5.358 5.289 5.472 . 0 0 "[ ]" 1
1180 1 38 SER HA 1 45 GLU HA . . 5.500 5.391 4.913 5.694 0.194 2 0 "[ ]" 1
1181 1 38 SER HA 1 48 ILE MD . . 2.860 2.285 2.234 2.352 . 0 0 "[ ]" 1
1182 1 38 SER HA 1 48 ILE QG . . 4.660 4.125 4.081 4.195 . 0 0 "[ ]" 1
1183 1 38 SER QB 1 39 SER H . . 3.620 2.808 2.710 2.863 . 0 0 "[ ]" 1
1184 1 38 SER QB 1 41 LEU QD . . 5.280 5.868 5.732 6.013 0.733 3 2 "[- +]" 1
1185 1 38 SER QB 1 43 LEU QD . . 5.260 5.215 4.963 5.406 0.146 3 0 "[ ]" 1
1186 1 38 SER QB 1 44 ASN HA . . 4.430 4.038 3.955 4.120 . 0 0 "[ ]" 1
1187 1 38 SER QB 1 45 GLU H . . 4.720 4.082 3.889 4.243 . 0 0 "[ ]" 1
1188 1 38 SER QB 1 45 GLU HA . . 3.800 3.395 2.997 3.602 . 0 0 "[ ]" 1
1189 1 38 SER QB 1 45 GLU QG . . 3.910 2.958 2.693 3.116 . 0 0 "[ ]" 1
1190 1 38 SER QB 1 48 ILE MD . . 3.150 2.202 2.055 2.348 . 0 0 "[ ]" 1
1191 1 38 SER QB 1 48 ILE QG . . 3.930 4.185 4.057 4.351 0.421 3 0 "[ ]" 1
1192 1 39 SER H 1 39 SER QB . . 2.490 2.521 2.330 2.710 0.220 2 0 "[ ]" 1
1193 1 39 SER H 1 40 GLU H . . 3.000 2.690 2.502 2.796 . 0 0 "[ ]" 1
1194 1 39 SER H 1 48 ILE MD . . 4.470 4.638 4.512 4.723 0.253 1 0 "[ ]" 1
1195 1 39 SER HA 1 39 SER QB . . 2.750 2.423 2.364 2.466 . 0 0 "[ ]" 1
1196 1 39 SER HA 1 42 GLY H . . 4.370 3.883 3.857 3.922 . 0 0 "[ ]" 1
1197 1 39 SER HA 1 42 GLY QA . . 4.390 4.085 3.912 4.291 . 0 0 "[ ]" 1
1198 1 39 SER HA 1 43 LEU H . . 4.930 5.096 4.915 5.413 0.483 1 0 "[ ]" 1
1199 1 39 SER QB 1 40 GLU H . . 3.050 2.501 2.092 2.838 . 0 0 "[ ]" 1
1200 1 39 SER QB 1 40 GLU QG . . 5.500 5.091 4.943 5.195 . 0 0 "[ ]" 1
1201 1 40 GLU H 1 40 GLU HA . . 2.930 2.907 2.824 2.950 0.020 2 0 "[ ]" 1
1202 1 40 GLU H 1 40 GLU QB . . 3.050 2.290 2.193 2.369 . 0 0 "[ ]" 1
1203 1 40 GLU H 1 40 GLU QG . . 4.330 4.125 4.063 4.193 . 0 0 "[ ]" 1
1204 1 40 GLU HA 1 40 GLU QG . . 3.270 2.924 2.667 3.080 . 0 0 "[ ]" 1
1205 1 40 GLU HA 1 41 LEU QD . . 4.650 4.523 4.277 4.749 0.099 2 0 "[ ]" 1
1206 1 40 GLU HA 1 42 GLY H . . 5.500 4.332 4.129 4.611 . 0 0 "[ ]" 1
1207 1 40 GLU QB 1 41 LEU H . . 3.640 3.204 3.113 3.365 . 0 0 "[ ]" 1
1208 1 40 GLU QB 1 41 LEU QD . . 3.540 3.396 3.206 3.658 0.118 2 0 "[ ]" 1
1209 1 40 GLU QG 1 41 LEU H . . 4.710 4.329 4.142 4.652 . 0 0 "[ ]" 1
1210 1 40 GLU QG 1 41 LEU QD . . 4.220 3.165 2.616 3.578 . 0 0 "[ ]" 1
1211 1 41 LEU H 1 41 LEU HB2 . . 3.180 2.760 2.485 2.996 . 0 0 "[ ]" 1
1212 1 41 LEU H 1 41 LEU QD . . 3.100 3.274 3.086 3.469 0.369 1 0 "[ ]" 1
1213 1 41 LEU H 1 41 LEU HG . . 4.060 2.483 2.348 2.742 . 0 0 "[ ]" 1
1214 1 41 LEU H 1 42 GLY H . . 2.950 2.312 2.127 2.476 . 0 0 "[ ]" 1
1215 1 41 LEU H 1 42 GLY QA . . 4.680 4.275 4.027 4.406 . 0 0 "[ ]" 1
1216 1 41 LEU H 1 43 LEU H . . 4.340 4.080 3.930 4.280 . 0 0 "[ ]" 1
1217 1 41 LEU H 1 43 LEU QD . . 3.950 5.008 4.781 5.169 1.219 1 3 [+-*] 1
1218 1 41 LEU H 1 43 LEU HG . . 4.280 4.815 4.750 4.941 0.661 1 1 "[+ ]" 1
1219 1 41 LEU HA 1 41 LEU QD . . 2.590 2.577 2.406 2.793 0.203 1 0 "[ ]" 1
1220 1 41 LEU HA 1 42 GLY QA . . 4.730 4.128 3.947 4.237 . 0 0 "[ ]" 1
1221 1 41 LEU HA 1 43 LEU H . . 5.500 5.259 5.018 5.457 . 0 0 "[ ]" 1
1222 1 41 LEU HA 1 43 LEU QD . . 4.520 4.881 4.700 5.035 0.515 3 1 "[ +]" 1
1223 1 41 LEU HB2 1 41 LEU QD . . 2.830 2.191 2.139 2.232 . 0 0 "[ ]" 1
1224 1 41 LEU HB2 1 42 GLY H . . 3.860 3.584 3.505 3.679 . 0 0 "[ ]" 1
1225 1 41 LEU HB2 1 43 LEU H . . 3.710 3.889 3.805 4.035 0.325 2 0 "[ ]" 1
1226 1 41 LEU HB2 1 43 LEU QD . . 3.240 3.248 2.840 3.460 0.220 3 0 "[ ]" 1
1227 1 41 LEU HB2 1 48 ILE QG . . 5.500 4.851 4.690 5.009 . 0 0 "[ ]" 1
1228 1 41 LEU HB3 1 41 LEU QD . . 2.610 2.262 2.227 2.314 . 0 0 "[ ]" 1
1229 1 41 LEU HB3 1 42 GLY H . . 4.960 4.482 4.393 4.652 . 0 0 "[ ]" 1
1230 1 41 LEU HB3 1 43 LEU H . . 5.390 5.131 5.047 5.256 . 0 0 "[ ]" 1
1231 1 41 LEU QD 1 42 GLY H . . 4.020 4.500 4.440 4.583 0.563 1 1 "[+ ]" 1
1232 1 41 LEU QD 1 42 GLY QA . . 5.440 5.211 5.126 5.267 . 0 0 "[ ]" 1
1233 1 41 LEU QD 1 43 LEU H . . 4.330 5.004 4.919 5.074 0.744 2 3 [-+*] 1
1234 1 41 LEU QD 1 43 LEU QD . . 2.820 3.112 2.629 3.502 0.682 1 1 "[+ ]" 1
1235 1 41 LEU QD 1 43 LEU HG . . 3.430 3.743 3.674 3.816 0.386 1 0 "[ ]" 1
1236 1 41 LEU HG 1 42 GLY H . . 4.880 4.530 4.387 4.630 . 0 0 "[ ]" 1
1237 1 42 GLY H 1 43 LEU H . . 3.090 2.665 2.509 2.817 . 0 0 "[ ]" 1
1238 1 42 GLY H 1 43 LEU HA . . 4.970 5.368 5.242 5.483 0.513 2 1 "[ + ]" 1
1239 1 42 GLY H 1 43 LEU QB . . 4.900 4.922 4.740 5.072 0.172 3 0 "[ ]" 1
1240 1 42 GLY H 1 43 LEU QD . . 3.940 4.632 4.543 4.755 0.815 3 3 [-*+] 1
1241 1 42 GLY H 1 43 LEU HG . . 4.990 4.373 4.214 4.470 . 0 0 "[ ]" 1
1242 1 42 GLY QA 1 43 LEU H . . 3.530 2.720 2.649 2.800 . 0 0 "[ ]" 1
1243 1 43 LEU H 1 43 LEU QB . . 3.570 2.804 2.621 2.970 . 0 0 "[ ]" 1
1244 1 43 LEU H 1 43 LEU QD . . 3.380 3.394 3.162 3.524 0.144 3 0 "[ ]" 1
1245 1 43 LEU H 1 43 LEU HG . . 3.230 3.008 2.858 3.166 . 0 0 "[ ]" 1
1246 1 43 LEU H 1 44 ASN H . . 4.560 4.578 4.497 4.713 0.153 3 0 "[ ]" 1
1247 1 43 LEU HA 1 43 LEU QD . . 3.090 2.305 2.245 2.338 . 0 0 "[ ]" 1
1248 1 43 LEU HA 1 43 LEU HG . . 3.690 3.433 3.279 3.528 . 0 0 "[ ]" 1
1249 1 43 LEU HA 1 44 ASN H . . 2.750 2.421 2.326 2.498 . 0 0 "[ ]" 1
1250 1 43 LEU QB 1 43 LEU QD . . 2.540 1.892 1.881 1.903 . 0 0 "[ ]" 1
1251 1 43 LEU QB 1 44 ASN H . . 3.170 2.601 2.587 2.623 . 0 0 "[ ]" 1
1252 1 43 LEU QB 1 45 GLU H . . 5.500 5.521 5.422 5.679 0.179 2 0 "[ ]" 1
1253 1 43 LEU QB 1 47 GLN H . . 5.240 4.586 4.522 4.707 . 0 0 "[ ]" 1
1254 1 43 LEU QB 1 47 GLN QB . . 4.180 2.651 2.569 2.716 . 0 0 "[ ]" 1
1255 1 43 LEU QB 1 47 GLN QE . . 5.360 4.467 4.107 4.966 . 0 0 "[ ]" 1
1256 1 43 LEU QB 1 47 GLN QG . . 4.570 3.754 3.503 3.951 . 0 0 "[ ]" 1
1257 1 43 LEU QD 1 44 ASN H . . 4.050 3.591 3.526 3.717 . 0 0 "[ ]" 1
1258 1 43 LEU QD 1 45 GLU HA . . 5.440 6.048 5.976 6.177 0.737 1 3 [+*-] 1
1259 1 43 LEU QD 1 47 GLN QB . . 4.580 2.871 2.795 2.974 . 0 0 "[ ]" 1
1260 1 43 LEU QD 1 47 GLN QE . . 3.850 3.500 3.325 3.777 . 0 0 "[ ]" 1
1261 1 43 LEU QD 1 47 GLN QG . . 4.340 3.859 3.585 4.004 . 0 0 "[ ]" 1
1262 1 43 LEU QD 1 48 ILE H . . 4.070 4.344 3.893 4.582 0.512 2 1 "[ + ]" 1
1263 1 43 LEU QD 1 48 ILE HA . . 4.180 4.022 3.905 4.116 . 0 0 "[ ]" 1
1264 1 43 LEU QD 1 48 ILE HB . . 5.440 4.961 4.776 5.125 . 0 0 "[ ]" 1
1265 1 43 LEU QD 1 48 ILE QG . . 3.580 2.427 2.255 2.581 . 0 0 "[ ]" 1
1266 1 43 LEU QD 1 48 ILE MG . . 4.140 4.210 3.883 4.417 0.277 3 0 "[ ]" 1
1267 1 43 LEU QD 1 51 TRP QB . . 5.270 4.272 4.191 4.395 . 0 0 "[ ]" 1
1268 1 43 LEU HG 1 44 ASN H . . 4.490 5.147 5.038 5.327 0.837 3 3 [-*+] 1
1269 1 43 LEU HG 1 47 GLN QB . . 5.060 5.155 5.076 5.241 0.181 3 0 "[ ]" 1
1270 1 44 ASN H 1 44 ASN HB2 . . 3.710 3.758 3.675 3.808 0.098 3 0 "[ ]" 1
1271 1 44 ASN H 1 44 ASN QB . . 3.120 2.605 2.578 2.626 . 0 0 "[ ]" 1
1272 1 44 ASN H 1 44 ASN HB3 . . 3.710 2.656 2.633 2.678 . 0 0 "[ ]" 1
1273 1 44 ASN H 1 44 ASN QD . . 4.160 3.869 3.831 3.899 . 0 0 "[ ]" 1
1274 1 44 ASN H 1 45 GLU H . . 4.560 4.646 4.578 4.740 0.180 2 0 "[ ]" 1
1275 1 44 ASN H 1 46 ALA H . . 5.060 5.302 5.248 5.374 0.314 1 0 "[ ]" 1
1276 1 44 ASN H 1 46 ALA MB . . 5.210 5.483 5.430 5.529 0.319 1 0 "[ ]" 1
1277 1 44 ASN H 1 47 GLN H . . 4.480 4.177 3.996 4.347 . 0 0 "[ ]" 1
1278 1 44 ASN H 1 47 GLN HA . . 5.500 5.984 5.843 6.060 0.560 3 2 "[- +]" 1
1279 1 44 ASN H 1 47 GLN QB . . 4.060 3.130 2.790 3.338 . 0 0 "[ ]" 1
1280 1 44 ASN H 1 47 GLN QE . . 5.500 4.726 4.468 5.152 . 0 0 "[ ]" 1
1281 1 44 ASN H 1 47 GLN QG . . 4.270 3.256 3.124 3.374 . 0 0 "[ ]" 1
1282 1 44 ASN H 1 48 ILE H . . 5.060 5.137 5.005 5.252 0.192 1 0 "[ ]" 1
1283 1 44 ASN H 1 48 ILE MD . . 3.840 4.410 4.340 4.448 0.608 1 2 "[+- ]" 1
1284 1 44 ASN HA 1 44 ASN QD . . 4.270 4.294 4.241 4.370 0.100 2 0 "[ ]" 1
1285 1 44 ASN HA 1 45 GLU H . . 2.650 2.310 2.216 2.360 . 0 0 "[ ]" 1
1286 1 44 ASN HA 1 45 GLU HA . . 4.410 4.367 4.258 4.450 0.040 1 0 "[ ]" 1
1287 1 44 ASN HA 1 45 GLU HB2 . . 5.500 5.003 4.887 5.070 . 0 0 "[ ]" 1
1288 1 44 ASN HA 1 45 GLU QG . . 4.560 4.020 3.978 4.043 . 0 0 "[ ]" 1
1289 1 44 ASN HA 1 46 ALA H . . 4.270 4.352 4.224 4.485 0.215 1 0 "[ ]" 1
1290 1 44 ASN HA 1 46 ALA MB . . 5.500 5.413 5.272 5.548 0.048 1 0 "[ ]" 1
1291 1 44 ASN HA 1 47 GLN H . . 4.830 4.862 4.639 5.102 0.272 1 0 "[ ]" 1
1292 1 44 ASN HA 1 48 ILE MD . . 4.890 4.201 4.158 4.286 . 0 0 "[ ]" 1
1293 1 44 ASN QB 1 46 ALA H . . 3.760 3.420 3.376 3.471 . 0 0 "[ ]" 1
1294 1 44 ASN QB 1 46 ALA MB . . 4.000 3.975 3.929 4.033 0.033 3 0 "[ ]" 1
1295 1 44 ASN HB2 1 46 ALA H . . 4.450 3.510 3.453 3.563 . 0 0 "[ ]" 1
1296 1 44 ASN HB2 1 46 ALA MB . . 4.730 4.194 4.125 4.278 . 0 0 "[ ]" 1
1297 1 44 ASN HB2 1 47 GLN QG . . 4.820 4.917 4.802 5.024 0.204 2 0 "[ ]" 1
1298 1 44 ASN HB3 1 46 ALA H . . 4.450 4.734 4.651 4.784 0.334 2 0 "[ ]" 1
1299 1 44 ASN HB3 1 46 ALA MB . . 4.730 4.931 4.920 4.942 0.212 2 0 "[ ]" 1
1300 1 44 ASN HB3 1 47 GLN QG . . 4.820 4.354 4.230 4.494 . 0 0 "[ ]" 1
1301 1 44 ASN QD 1 45 GLU H . . 4.540 4.851 4.718 5.002 0.462 2 0 "[ ]" 1
1302 1 44 ASN QD 1 46 ALA H . . 4.670 4.122 4.021 4.293 . 0 0 "[ ]" 1
1303 1 44 ASN QD 1 46 ALA HA . . 4.580 5.785 5.627 5.919 1.339 2 3 [-+*] 1
1304 1 44 ASN QD 1 46 ALA MB . . 3.850 2.994 2.886 3.111 . 0 0 "[ ]" 1
1305 1 44 ASN QD 1 47 GLN H . . 4.540 3.921 3.711 4.114 . 0 0 "[ ]" 1
1306 1 44 ASN QD 1 47 GLN QE . . 5.280 4.688 4.419 4.899 . 0 0 "[ ]" 1
1307 1 44 ASN QD 1 47 GLN QG . . 4.160 3.007 2.853 3.174 . 0 0 "[ ]" 1
1308 1 45 GLU H 1 45 GLU HB2 . . 3.240 2.701 2.675 2.714 . 0 0 "[ ]" 1
1309 1 45 GLU H 1 45 GLU QG . . 3.270 2.576 2.415 2.660 . 0 0 "[ ]" 1
1310 1 45 GLU H 1 46 ALA H . . 3.210 2.806 2.631 2.953 . 0 0 "[ ]" 1
1311 1 45 GLU H 1 46 ALA HA . . 5.350 5.423 5.115 5.637 0.287 1 0 "[ ]" 1
1312 1 45 GLU H 1 46 ALA MB . . 4.450 4.469 4.289 4.688 0.238 1 0 "[ ]" 1
1313 1 45 GLU H 1 47 GLN H . . 4.490 4.401 4.237 4.648 0.158 1 0 "[ ]" 1
1314 1 45 GLU H 1 48 ILE H . . 5.220 5.152 5.033 5.372 0.152 3 0 "[ ]" 1
1315 1 45 GLU H 1 48 ILE HB . . 5.500 5.571 5.293 5.760 0.260 2 0 "[ ]" 1
1316 1 45 GLU H 1 48 ILE MD . . 4.630 4.225 4.064 4.361 . 0 0 "[ ]" 1
1317 1 45 GLU HA 1 45 GLU QG . . 3.390 2.577 2.398 2.748 . 0 0 "[ ]" 1
1318 1 45 GLU HA 1 46 ALA HA . . 4.920 4.836 4.529 5.049 0.129 1 0 "[ ]" 1
1319 1 45 GLU HA 1 47 GLN H . . 4.460 4.361 4.195 4.660 0.200 1 0 "[ ]" 1
1320 1 45 GLU HA 1 48 ILE H . . 3.720 3.572 3.335 3.870 0.150 3 0 "[ ]" 1
1321 1 45 GLU HA 1 48 ILE HB . . 3.410 2.989 2.836 3.076 . 0 0 "[ ]" 1
1322 1 45 GLU HA 1 48 ILE MD . . 3.330 2.794 2.726 2.860 . 0 0 "[ ]" 1
1323 1 45 GLU HA 1 48 ILE QG . . 4.480 4.194 4.090 4.354 . 0 0 "[ ]" 1
1324 1 45 GLU HA 1 48 ILE MG . . 4.600 4.331 4.247 4.497 . 0 0 "[ ]" 1
1325 1 45 GLU HA 1 49 LYS H . . 4.220 3.999 3.776 4.135 . 0 0 "[ ]" 1
1326 1 45 GLU HA 1 49 LYS HA . . 5.500 6.166 6.091 6.264 0.764 3 3 [-*+] 1
1327 1 45 GLU HB2 1 46 ALA H . . 4.240 2.891 2.724 2.994 . 0 0 "[ ]" 1
1328 1 45 GLU HB2 1 47 GLN H . . 5.500 5.284 5.273 5.294 . 0 0 "[ ]" 1
1329 1 45 GLU HB3 1 46 ALA H . . 4.380 3.940 3.795 4.017 . 0 0 "[ ]" 1
1330 1 45 GLU HB3 1 47 GLN H . . 5.500 5.738 5.718 5.763 0.263 1 0 "[ ]" 1
1331 1 45 GLU QG 1 48 ILE MD . . 4.250 3.900 3.725 4.136 . 0 0 "[ ]" 1
1332 1 46 ALA H 1 46 ALA MB . . 2.430 2.235 2.172 2.339 . 0 0 "[ ]" 1
1333 1 46 ALA H 1 47 GLN H . . 2.990 2.729 2.648 2.825 . 0 0 "[ ]" 1
1334 1 46 ALA H 1 47 GLN HA . . 5.350 5.390 5.337 5.446 0.096 1 0 "[ ]" 1
1335 1 46 ALA H 1 47 GLN QB . . 5.140 4.695 4.593 4.801 . 0 0 "[ ]" 1
1336 1 46 ALA H 1 48 ILE H . . 4.830 4.337 4.190 4.618 . 0 0 "[ ]" 1
1337 1 46 ALA H 1 49 LYS H . . 4.970 4.805 4.682 4.900 . 0 0 "[ ]" 1
1338 1 46 ALA H 1 50 ILE MD . . 5.500 5.516 5.258 5.656 0.156 1 0 "[ ]" 1
1339 1 46 ALA HA 1 50 ILE H . . 4.260 4.188 4.100 4.308 0.048 3 0 "[ ]" 1
1340 1 46 ALA HA 1 50 ILE MD . . 4.240 3.774 3.701 3.843 . 0 0 "[ ]" 1
1341 1 46 ALA MB 1 47 GLN H . . 3.070 2.694 2.583 2.802 . 0 0 "[ ]" 1
1342 1 46 ALA MB 1 47 GLN QG . . 4.010 3.377 3.310 3.475 . 0 0 "[ ]" 1
1343 1 46 ALA MB 1 50 ILE H . . 5.040 4.810 4.706 4.876 . 0 0 "[ ]" 1
1344 1 46 ALA MB 1 50 ILE MD . . 3.300 2.827 2.532 2.989 . 0 0 "[ ]" 1
1345 1 47 GLN H 1 47 GLN QB . . 3.230 2.349 2.270 2.458 . 0 0 "[ ]" 1
1346 1 47 GLN H 1 47 GLN QG . . 3.330 2.569 2.468 2.705 . 0 0 "[ ]" 1
1347 1 47 GLN H 1 48 ILE H . . 3.040 2.693 2.603 2.799 . 0 0 "[ ]" 1
1348 1 47 GLN H 1 48 ILE HA . . 5.260 5.302 5.190 5.396 0.136 3 0 "[ ]" 1
1349 1 47 GLN H 1 48 ILE HB . . 4.870 4.878 4.693 4.987 0.117 1 0 "[ ]" 1
1350 1 47 GLN H 1 48 ILE MD . . 5.130 4.692 4.415 5.035 . 0 0 "[ ]" 1
1351 1 47 GLN H 1 48 ILE QG . . 4.690 4.421 4.283 4.529 . 0 0 "[ ]" 1
1352 1 47 GLN H 1 49 LYS HB3 . . 5.500 5.531 5.125 5.875 0.375 1 0 "[ ]" 1
1353 1 47 GLN H 1 50 ILE H . . 5.300 4.881 4.742 4.954 . 0 0 "[ ]" 1
1354 1 47 GLN H 1 50 ILE MD . . 5.190 4.593 4.462 4.836 . 0 0 "[ ]" 1
1355 1 47 GLN HA 1 47 GLN QE . . 4.350 4.220 4.046 4.387 0.037 1 0 "[ ]" 1
1356 1 47 GLN HA 1 47 GLN QG . . 3.300 2.467 2.327 2.689 . 0 0 "[ ]" 1
1357 1 47 GLN HA 1 48 ILE HA . . 5.330 4.729 4.468 5.028 . 0 0 "[ ]" 1
1358 1 47 GLN HA 1 50 ILE HB . . 3.490 3.031 2.751 3.275 . 0 0 "[ ]" 1
1359 1 47 GLN HA 1 50 ILE MD . . 3.460 3.410 3.317 3.482 0.022 3 0 "[ ]" 1
1360 1 47 GLN QB 1 48 ILE H . . 3.730 2.728 2.433 3.101 . 0 0 "[ ]" 1
1361 1 47 GLN QB 1 48 ILE MD . . 4.380 4.037 3.879 4.172 . 0 0 "[ ]" 1
1362 1 47 GLN QB 1 50 ILE MD . . 5.500 5.062 4.962 5.158 . 0 0 "[ ]" 1
1363 1 47 GLN QE 1 50 ILE MD . . 5.500 5.818 5.648 5.948 0.448 1 0 "[ ]" 1
1364 1 48 ILE H 1 48 ILE HB . . 3.230 2.511 2.388 2.613 . 0 0 "[ ]" 1
1365 1 48 ILE H 1 48 ILE MD . . 3.960 3.239 3.000 3.448 . 0 0 "[ ]" 1
1366 1 48 ILE H 1 48 ILE QG . . 3.230 2.448 2.243 2.560 . 0 0 "[ ]" 1
1367 1 48 ILE H 1 48 ILE MG . . 3.820 3.812 3.765 3.890 0.070 2 0 "[ ]" 1
1368 1 48 ILE H 1 49 LYS H . . 3.090 2.617 2.441 2.928 . 0 0 "[ ]" 1
1369 1 48 ILE H 1 49 LYS HB2 . . 5.280 4.605 4.393 4.968 . 0 0 "[ ]" 1
1370 1 48 ILE H 1 49 LYS HB3 . . 5.500 5.106 4.873 5.361 . 0 0 "[ ]" 1
1371 1 48 ILE HA 1 48 ILE MD . . 3.860 3.953 3.935 3.986 0.126 3 0 "[ ]" 1
1372 1 48 ILE HA 1 48 ILE QG . . 3.470 2.528 2.486 2.594 . 0 0 "[ ]" 1
1373 1 48 ILE HA 1 48 ILE MG . . 2.960 2.512 2.404 2.610 . 0 0 "[ ]" 1
1374 1 48 ILE HA 1 49 LYS HA . . 5.500 4.900 4.853 4.927 . 0 0 "[ ]" 1
1375 1 48 ILE HA 1 50 ILE H . . 5.000 4.326 4.107 4.523 . 0 0 "[ ]" 1
1376 1 48 ILE HA 1 51 TRP H . . 3.690 3.396 3.297 3.523 . 0 0 "[ ]" 1
1377 1 48 ILE HA 1 51 TRP QB . . 3.780 2.558 2.537 2.601 . 0 0 "[ ]" 1
1378 1 48 ILE HA 1 51 TRP HD1 . . 5.500 5.829 5.667 5.963 0.463 1 0 "[ ]" 1
1379 1 48 ILE HA 1 51 TRP HE3 . . 4.650 4.705 4.464 4.828 0.178 2 0 "[ ]" 1
1380 1 48 ILE HA 1 52 PHE H . . 4.200 3.877 3.689 3.986 . 0 0 "[ ]" 1
1381 1 48 ILE HA 1 52 PHE QD . . 4.930 3.709 3.474 3.856 . 0 0 "[ ]" 1
1382 1 48 ILE HB 1 48 ILE MD . . 3.270 2.386 2.259 2.482 . 0 0 "[ ]" 1
1383 1 48 ILE HB 1 49 LYS H . . 3.290 2.837 2.792 2.899 . 0 0 "[ ]" 1
1384 1 48 ILE HB 1 52 PHE H . . 5.500 5.916 5.862 6.022 0.522 3 1 "[ +]" 1
1385 1 48 ILE MD 1 48 ILE MG . . 2.960 2.274 2.208 2.405 . 0 0 "[ ]" 1
1386 1 48 ILE QG 1 48 ILE MG . . 2.690 2.156 2.096 2.216 . 0 0 "[ ]" 1
1387 1 48 ILE MG 1 49 LYS H . . 3.770 3.647 3.561 3.728 . 0 0 "[ ]" 1
1388 1 48 ILE MG 1 49 LYS HA . . 3.870 3.837 3.737 4.018 0.148 2 0 "[ ]" 1
1389 1 48 ILE MG 1 49 LYS HB2 . . 5.030 4.858 4.603 5.093 0.063 2 0 "[ ]" 1
1390 1 48 ILE MG 1 51 TRP QB . . 4.550 3.725 3.671 3.770 . 0 0 "[ ]" 1
1391 1 48 ILE MG 1 51 TRP HE3 . . 3.990 4.250 4.202 4.304 0.314 1 0 "[ ]" 1
1392 1 48 ILE MG 1 52 PHE H . . 4.130 4.092 4.068 4.125 . 0 0 "[ ]" 1
1393 1 48 ILE MG 1 52 PHE HB2 . . 4.920 3.892 3.883 3.907 . 0 0 "[ ]" 1
1394 1 48 ILE MG 1 52 PHE QD . . 2.830 2.611 2.561 2.644 . 0 0 "[ ]" 1
1395 1 48 ILE MG 1 52 PHE QE . . 3.430 3.032 2.962 3.076 . 0 0 "[ ]" 1
1396 1 48 ILE MG 1 52 PHE HZ . . 5.500 4.947 4.864 5.024 . 0 0 "[ ]" 1
1397 1 49 LYS H 1 49 LYS HB2 . . 3.260 2.196 2.167 2.222 . 0 0 "[ ]" 1
1398 1 49 LYS H 1 49 LYS HB3 . . 3.190 2.842 2.759 2.950 . 0 0 "[ ]" 1
1399 1 49 LYS H 1 50 ILE H . . 3.220 2.819 2.688 2.991 . 0 0 "[ ]" 1
1400 1 49 LYS H 1 52 PHE H . . 5.350 5.143 4.950 5.426 0.076 3 0 "[ ]" 1
1401 1 49 LYS HA 1 49 LYS QD . . 3.310 3.857 3.738 3.934 0.624 2 2 "[-+ ]" 1
1402 1 49 LYS HA 1 49 LYS QE . . 4.790 4.387 4.322 4.438 . 0 0 "[ ]" 1
1403 1 49 LYS HA 1 49 LYS QG . . 3.400 2.179 2.093 2.303 . 0 0 "[ ]" 1
1404 1 49 LYS HA 1 50 ILE HA . . 4.940 4.784 4.676 4.867 . 0 0 "[ ]" 1
1405 1 49 LYS HA 1 52 PHE H . . 4.440 4.185 3.871 4.756 0.316 3 0 "[ ]" 1
1406 1 49 LYS HA 1 52 PHE HB2 . . 3.960 3.395 3.144 3.816 . 0 0 "[ ]" 1
1407 1 49 LYS HA 1 52 PHE HB3 . . 5.070 4.731 4.517 5.003 . 0 0 "[ ]" 1
1408 1 49 LYS HA 1 53 GLN H . . 4.790 4.592 4.391 4.901 0.111 3 0 "[ ]" 1
1409 1 49 LYS HB2 1 50 ILE H . . 3.970 3.742 3.513 3.943 . 0 0 "[ ]" 1
1410 1 49 LYS HB2 1 50 ILE HA . . 5.500 5.711 5.568 5.840 0.340 3 0 "[ ]" 1
1411 1 49 LYS HB3 1 49 LYS QD . . 3.680 2.417 2.332 2.489 . 0 0 "[ ]" 1
1412 1 49 LYS HB3 1 49 LYS QE . . 4.280 4.116 3.988 4.206 . 0 0 "[ ]" 1
1413 1 49 LYS HB3 1 50 ILE H . . 3.400 2.793 2.608 2.982 . 0 0 "[ ]" 1
1414 1 49 LYS QD 1 50 ILE H . . 5.500 4.830 4.719 5.046 . 0 0 "[ ]" 1
1415 1 49 LYS QD 1 53 GLN QE . . 4.470 3.888 3.252 4.234 . 0 0 "[ ]" 1
1416 1 49 LYS QE 1 53 GLN QE . . 4.660 4.194 3.911 4.680 0.020 1 0 "[ ]" 1
1417 1 49 LYS QG 1 50 ILE H . . 4.420 4.220 4.055 4.326 . 0 0 "[ ]" 1
1418 1 49 LYS QG 1 50 ILE HA . . 4.550 4.604 4.501 4.764 0.214 1 0 "[ ]" 1
1419 1 49 LYS QG 1 53 GLN QE . . 3.980 3.601 3.287 3.964 . 0 0 "[ ]" 1
1420 1 50 ILE H 1 50 ILE HB . . 2.860 2.475 2.360 2.703 . 0 0 "[ ]" 1
1421 1 50 ILE H 1 50 ILE MD . . 3.620 3.500 3.476 3.536 . 0 0 "[ ]" 1
1422 1 50 ILE H 1 50 ILE HG12 . . 3.900 3.765 3.620 3.886 . 0 0 "[ ]" 1
1423 1 50 ILE H 1 50 ILE HG13 . . 3.170 2.429 2.230 2.551 . 0 0 "[ ]" 1
1424 1 50 ILE H 1 50 ILE MG . . 3.790 3.829 3.814 3.848 0.058 3 0 "[ ]" 1
1425 1 50 ILE H 1 51 TRP QB . . 4.930 4.367 4.165 4.520 . 0 0 "[ ]" 1
1426 1 50 ILE H 1 52 PHE H . . 5.150 4.376 4.217 4.506 . 0 0 "[ ]" 1
1427 1 50 ILE H 1 53 GLN QE . . 5.340 5.526 5.132 5.985 0.645 2 1 "[ + ]" 1
1428 1 50 ILE HA 1 50 ILE MD . . 3.980 3.865 3.774 4.044 0.064 1 0 "[ ]" 1
1429 1 50 ILE HA 1 50 ILE HG12 . . 3.250 2.618 2.508 2.780 . 0 0 "[ ]" 1
1430 1 50 ILE HA 1 50 ILE HG13 . . 3.380 2.837 2.768 2.966 . 0 0 "[ ]" 1
1431 1 50 ILE HA 1 50 ILE MG . . 2.810 2.435 2.356 2.530 . 0 0 "[ ]" 1
1432 1 50 ILE HA 1 52 PHE H . . 5.180 4.618 4.429 4.800 . 0 0 "[ ]" 1
1433 1 50 ILE HA 1 53 GLN H . . 3.650 3.118 2.997 3.210 . 0 0 "[ ]" 1
1434 1 50 ILE HA 1 53 GLN HB2 . . 3.370 2.181 2.063 2.263 . 0 0 "[ ]" 1
1435 1 50 ILE HA 1 53 GLN HB3 . . 3.400 3.518 3.352 3.671 0.271 2 0 "[ ]" 1
1436 1 50 ILE HA 1 53 GLN QE . . 4.440 4.086 3.875 4.340 . 0 0 "[ ]" 1
1437 1 50 ILE HA 1 53 GLN QG . . 5.030 3.879 3.714 3.973 . 0 0 "[ ]" 1
1438 1 50 ILE HA 1 54 ASN H . . 4.170 3.896 3.742 4.021 . 0 0 "[ ]" 1
1439 1 50 ILE HB 1 50 ILE MD . . 3.110 2.433 2.387 2.491 . 0 0 "[ ]" 1
1440 1 50 ILE HB 1 51 TRP H . . 3.260 2.962 2.874 3.051 . 0 0 "[ ]" 1
1441 1 50 ILE HB 1 51 TRP HA . . 5.500 4.683 4.570 4.863 . 0 0 "[ ]" 1
1442 1 50 ILE HB 1 51 TRP QB . . 5.160 4.572 4.519 4.658 . 0 0 "[ ]" 1
1443 1 50 ILE HB 1 52 PHE H . . 5.500 5.633 5.607 5.672 0.172 3 0 "[ ]" 1
1444 1 50 ILE MD 1 50 ILE MG . . 2.530 2.176 2.097 2.292 . 0 0 "[ ]" 1
1445 1 50 ILE MD 1 51 TRP H . . 4.750 4.815 4.679 4.931 0.181 2 0 "[ ]" 1
1446 1 50 ILE MD 1 53 GLN QE . . 4.700 4.773 4.678 4.938 0.238 2 0 "[ ]" 1
1447 1 50 ILE MD 1 54 ASN QD . . 5.340 5.699 4.295 7.665 2.325 3 1 "[ +]" 1
1448 1 50 ILE HG12 1 50 ILE MG . . 3.010 2.382 2.144 2.600 . 0 0 "[ ]" 1
1449 1 50 ILE HG12 1 51 TRP H . . 5.300 5.289 5.186 5.359 0.059 3 0 "[ ]" 1
1450 1 50 ILE HG13 1 51 TRP H . . 4.560 4.570 4.470 4.725 0.165 3 0 "[ ]" 1
1451 1 50 ILE MG 1 51 TRP H . . 3.630 3.591 3.513 3.721 0.091 2 0 "[ ]" 1
1452 1 50 ILE MG 1 51 TRP HA . . 3.800 3.732 3.510 3.881 0.081 2 0 "[ ]" 1
1453 1 50 ILE MG 1 51 TRP QB . . 5.200 4.577 4.521 4.612 . 0 0 "[ ]" 1
1454 1 50 ILE MG 1 51 TRP HD1 . . 5.170 5.545 5.535 5.561 0.391 1 0 "[ ]" 1
1455 1 50 ILE MG 1 53 GLN H . . 4.640 4.497 4.459 4.537 . 0 0 "[ ]" 1
1456 1 50 ILE MG 1 53 GLN HB2 . . 4.180 3.558 3.423 3.810 . 0 0 "[ ]" 1
1457 1 50 ILE MG 1 53 GLN HB3 . . 4.540 3.984 3.780 4.105 . 0 0 "[ ]" 1
1458 1 50 ILE MG 1 53 GLN QE . . 5.020 4.832 4.372 5.098 0.078 3 0 "[ ]" 1
1459 1 50 ILE MG 1 54 ASN H . . 3.880 3.780 3.756 3.800 . 0 0 "[ ]" 1
1460 1 50 ILE MG 1 54 ASN HA . . 5.230 5.349 5.203 5.457 0.227 1 0 "[ ]" 1
1461 1 50 ILE MG 1 54 ASN HB2 . . 4.640 4.040 3.452 4.920 0.280 2 0 "[ ]" 1
1462 1 50 ILE MG 1 54 ASN QB . . 4.000 3.446 3.223 3.605 . 0 0 "[ ]" 1
1463 1 50 ILE MG 1 54 ASN HB3 . . 4.640 4.047 3.593 4.685 0.045 1 0 "[ ]" 1
1464 1 50 ILE MG 1 54 ASN QD . . 2.890 2.969 1.692 4.967 2.077 3 1 "[ +]" 1
1465 1 51 TRP H 1 51 TRP QB . . 3.120 2.257 2.253 2.263 . 0 0 "[ ]" 1
1466 1 51 TRP H 1 51 TRP HE3 . . 5.300 5.215 5.104 5.366 0.066 1 0 "[ ]" 1
1467 1 51 TRP H 1 52 PHE H . . 3.310 2.980 2.809 3.084 . 0 0 "[ ]" 1
1468 1 51 TRP H 1 52 PHE HA . . 5.500 5.597 5.451 5.714 0.214 3 0 "[ ]" 1
1469 1 51 TRP H 1 52 PHE QD . . 5.500 4.920 4.800 5.068 . 0 0 "[ ]" 1
1470 1 51 TRP H 1 54 ASN H . . 4.940 4.931 4.747 5.028 0.088 1 0 "[ ]" 1
1471 1 51 TRP HA 1 51 TRP HD1 . . 3.720 2.996 2.815 3.087 . 0 0 "[ ]" 1
1472 1 51 TRP HA 1 51 TRP HE3 . . 4.750 4.681 4.642 4.720 . 0 0 "[ ]" 1
1473 1 51 TRP HA 1 54 ASN H . . 3.910 3.699 3.384 4.005 0.095 1 0 "[ ]" 1
1474 1 51 TRP HA 1 54 ASN QB . . 4.610 3.838 3.354 4.481 . 0 0 "[ ]" 1
1475 1 51 TRP HA 1 55 GLU HA . . 5.500 6.046 5.633 6.354 0.854 1 2 "[+ -]" 1
1476 1 51 TRP QB 1 51 TRP HD1 . . 3.180 2.683 2.640 2.714 . 0 0 "[ ]" 1
1477 1 51 TRP QB 1 51 TRP HE1 . . 4.910 4.516 4.473 4.564 . 0 0 "[ ]" 1
1478 1 51 TRP QB 1 51 TRP HE3 . . 3.490 2.751 2.611 2.835 . 0 0 "[ ]" 1
1479 1 51 TRP QB 1 51 TRP HZ3 . . 4.920 4.850 4.846 4.856 . 0 0 "[ ]" 1
1480 1 51 TRP QB 1 52 PHE H . . 3.630 2.448 2.292 2.532 . 0 0 "[ ]" 1
1481 1 51 TRP QB 1 52 PHE HA . . 4.240 4.326 4.293 4.383 0.143 2 0 "[ ]" 1
1482 1 51 TRP QB 1 52 PHE HB2 . . 4.200 4.232 4.036 4.351 0.151 1 0 "[ ]" 1
1483 1 51 TRP QB 1 52 PHE QD . . 3.950 3.175 3.146 3.232 . 0 0 "[ ]" 1
1484 1 51 TRP QB 1 53 GLN H . . 5.500 4.644 4.621 4.671 . 0 0 "[ ]" 1
1485 1 51 TRP HD1 1 52 PHE H . . 5.500 5.661 5.467 5.811 0.311 1 0 "[ ]" 1
1486 1 51 TRP HE3 1 52 PHE H . . 3.610 3.172 2.756 3.422 . 0 0 "[ ]" 1
1487 1 51 TRP HE3 1 52 PHE HA . . 3.130 3.052 2.800 3.191 0.061 2 0 "[ ]" 1
1488 1 51 TRP HE3 1 52 PHE HB2 . . 4.400 4.120 3.756 4.333 . 0 0 "[ ]" 1
1489 1 51 TRP HE3 1 52 PHE HB3 . . 4.980 4.769 4.523 4.943 . 0 0 "[ ]" 1
1490 1 51 TRP HE3 1 52 PHE QD . . 2.860 2.479 2.389 2.580 . 0 0 "[ ]" 1
1491 1 51 TRP HE3 1 52 PHE QE . . 3.570 3.246 3.175 3.343 . 0 0 "[ ]" 1
1492 1 51 TRP HE3 1 53 GLN H . . 5.300 5.526 5.297 5.663 0.363 1 0 "[ ]" 1
1493 1 51 TRP HE3 1 55 GLU QB . . 4.990 3.978 3.846 4.193 . 0 0 "[ ]" 1
1494 1 51 TRP HE3 1 55 GLU QG . . 4.820 4.813 4.750 4.895 0.075 2 0 "[ ]" 1
1495 1 51 TRP HH2 1 52 PHE QE . . 5.370 5.467 5.251 5.672 0.302 2 0 "[ ]" 1
1496 1 51 TRP HH2 1 55 GLU QB . . 5.070 4.202 4.047 4.289 . 0 0 "[ ]" 1
1497 1 51 TRP HH2 1 55 GLU QG . . 4.000 3.163 2.949 3.533 . 0 0 "[ ]" 1
1498 1 51 TRP HH2 1 59 ILE MD . . 5.500 6.077 5.533 6.469 0.969 3 2 "[- +]" 1
1499 1 51 TRP HZ2 1 55 GLU QG . . 4.220 3.996 3.761 4.356 0.136 2 0 "[ ]" 1
1500 1 51 TRP HZ3 1 52 PHE H . . 5.440 5.214 4.959 5.347 . 0 0 "[ ]" 1
1501 1 51 TRP HZ3 1 52 PHE HA . . 4.110 3.837 3.497 4.088 . 0 0 "[ ]" 1
1502 1 51 TRP HZ3 1 52 PHE QD . . 3.950 3.892 3.834 3.938 . 0 0 "[ ]" 1
1503 1 51 TRP HZ3 1 52 PHE QE . . 3.990 3.455 3.436 3.488 . 0 0 "[ ]" 1
1504 1 51 TRP HZ3 1 52 PHE HZ . . 4.280 3.686 3.567 3.767 . 0 0 "[ ]" 1
1505 1 51 TRP HZ3 1 55 GLU QG . . 4.630 3.670 3.373 3.940 . 0 0 "[ ]" 1
1506 1 52 PHE H 1 52 PHE HB2 . . 3.260 2.155 2.074 2.204 . 0 0 "[ ]" 1
1507 1 52 PHE H 1 52 PHE HB3 . . 3.550 3.493 3.450 3.545 . 0 0 "[ ]" 1
1508 1 52 PHE H 1 52 PHE QD . . 3.100 2.651 2.531 2.736 . 0 0 "[ ]" 1
1509 1 52 PHE H 1 52 PHE QE . . 4.860 4.931 4.747 5.024 0.164 2 0 "[ ]" 1
1510 1 52 PHE H 1 53 GLN H . . 3.320 2.794 2.682 2.925 . 0 0 "[ ]" 1
1511 1 52 PHE H 1 53 GLN HA . . 5.500 5.452 5.392 5.531 0.031 3 0 "[ ]" 1
1512 1 52 PHE H 1 53 GLN HB2 . . 5.050 4.652 4.594 4.701 . 0 0 "[ ]" 1
1513 1 52 PHE H 1 54 ASN H . . 4.860 4.647 4.566 4.745 . 0 0 "[ ]" 1
1514 1 52 PHE H 1 55 GLU QB . . 5.500 4.753 4.469 5.004 . 0 0 "[ ]" 1
1515 1 52 PHE HA 1 52 PHE QD . . 3.260 3.018 2.960 3.126 . 0 0 "[ ]" 1
1516 1 52 PHE HA 1 52 PHE QE . . 4.590 4.463 4.295 4.615 0.025 1 0 "[ ]" 1
1517 1 52 PHE HA 1 55 GLU H . . 3.780 3.648 3.579 3.737 . 0 0 "[ ]" 1
1518 1 52 PHE HA 1 55 GLU HA . . 5.500 5.611 5.406 5.769 0.269 1 0 "[ ]" 1
1519 1 52 PHE HA 1 55 GLU QB . . 3.950 2.867 2.590 3.026 . 0 0 "[ ]" 1
1520 1 52 PHE HA 1 55 GLU QG . . 4.250 4.366 4.179 4.517 0.267 2 0 "[ ]" 1
1521 1 52 PHE HA 1 56 ARG H . . 4.770 4.583 4.422 4.834 0.064 2 0 "[ ]" 1
1522 1 52 PHE HB2 1 53 GLN H . . 4.010 3.228 3.075 3.439 . 0 0 "[ ]" 1
1523 1 52 PHE HB3 1 53 GLN H . . 4.030 3.656 3.430 3.896 . 0 0 "[ ]" 1
1524 1 52 PHE HB3 1 55 GLU QB . . 5.500 4.983 4.792 5.139 . 0 0 "[ ]" 1
1525 1 53 GLN H 1 53 GLN HB2 . . 3.240 2.065 1.943 2.203 . 0 0 "[ ]" 1
1526 1 53 GLN H 1 53 GLN HB3 . . 3.300 3.395 3.313 3.528 0.228 1 0 "[ ]" 1
1527 1 53 GLN H 1 53 GLN QE . . 5.280 5.219 5.155 5.333 0.053 2 0 "[ ]" 1
1528 1 53 GLN H 1 53 GLN QG . . 3.960 3.289 3.104 3.406 . 0 0 "[ ]" 1
1529 1 53 GLN H 1 54 ASN H . . 3.100 2.799 2.663 2.940 . 0 0 "[ ]" 1
1530 1 53 GLN H 1 54 ASN QB . . 5.110 4.795 4.512 5.034 . 0 0 "[ ]" 1
1531 1 53 GLN H 1 54 ASN QD . . 4.910 5.441 4.490 6.878 1.968 3 1 "[ +]" 1
1532 1 53 GLN HA 1 53 GLN QE . . 5.500 4.785 4.756 4.830 . 0 0 "[ ]" 1
1533 1 53 GLN HA 1 53 GLN QG . . 3.270 2.294 2.069 2.480 . 0 0 "[ ]" 1
1534 1 53 GLN HA 1 54 ASN HA . . 4.710 4.737 4.624 4.891 0.181 1 0 "[ ]" 1
1535 1 53 GLN HA 1 55 GLU H . . 4.500 4.524 4.309 4.835 0.335 1 0 "[ ]" 1
1536 1 53 GLN HA 1 56 ARG QD . . 5.340 3.886 3.717 4.067 . 0 0 "[ ]" 1
1537 1 53 GLN HA 1 56 ARG HH11 . . 4.550 4.672 4.506 4.884 0.334 3 0 "[ ]" 1
1538 1 53 GLN HB2 1 54 ASN H . . 3.300 2.787 2.622 3.108 . 0 0 "[ ]" 1
1539 1 53 GLN HB3 1 53 GLN QE . . 4.400 3.907 3.539 4.189 . 0 0 "[ ]" 1
1540 1 53 GLN HB3 1 54 ASN H . . 3.530 2.960 2.896 3.054 . 0 0 "[ ]" 1
1541 1 53 GLN HB3 1 54 ASN HA . . 5.140 3.982 3.893 4.097 . 0 0 "[ ]" 1
1542 1 53 GLN HB3 1 54 ASN QD . . 5.170 4.607 3.636 5.256 0.086 3 0 "[ ]" 1
1543 1 53 GLN QG 1 54 ASN H . . 5.500 4.492 4.428 4.567 . 0 0 "[ ]" 1
1544 1 53 GLN QG 1 54 ASN HA . . 5.500 5.524 5.479 5.565 0.065 1 0 "[ ]" 1
1545 1 54 ASN H 1 54 ASN HB2 . . 3.650 2.850 2.329 3.650 . 0 0 "[ ]" 1
1546 1 54 ASN H 1 54 ASN QB . . 2.930 2.392 2.199 2.686 . 0 0 "[ ]" 1
1547 1 54 ASN H 1 54 ASN HB3 . . 3.650 2.860 2.387 3.429 . 0 0 "[ ]" 1
1548 1 54 ASN H 1 54 ASN QD . . 3.680 3.412 2.696 4.390 0.710 3 1 "[ +]" 1
1549 1 54 ASN H 1 55 GLU H . . 3.180 2.644 2.544 2.826 . 0 0 "[ ]" 1
1550 1 54 ASN H 1 55 GLU HA . . 5.140 5.201 5.052 5.443 0.303 1 0 "[ ]" 1
1551 1 54 ASN H 1 55 GLU QB . . 5.230 4.503 4.321 4.629 . 0 0 "[ ]" 1
1552 1 54 ASN H 1 56 ARG H . . 4.370 4.399 4.379 4.434 0.064 1 0 "[ ]" 1
1553 1 54 ASN H 1 57 ALA H . . 5.500 5.231 4.954 5.780 0.280 2 0 "[ ]" 1
1554 1 54 ASN HA 1 54 ASN QD . . 4.290 3.577 2.430 4.266 . 0 0 "[ ]" 1
1555 1 54 ASN HA 1 55 GLU HA . . 5.090 4.724 4.695 4.749 . 0 0 "[ ]" 1
1556 1 54 ASN HA 1 56 ARG HB2 . . 4.850 4.599 4.476 4.662 . 0 0 "[ ]" 1
1557 1 54 ASN HA 1 57 ALA H . . 3.520 3.132 2.823 3.516 . 0 0 "[ ]" 1
1558 1 54 ASN HA 1 58 LYS H . . 5.190 4.801 4.513 5.077 . 0 0 "[ ]" 1
1559 1 54 ASN QB 1 54 ASN QD . . 2.830 2.189 1.994 2.351 . 0 0 "[ ]" 1
1560 1 54 ASN QB 1 55 GLU H . . 3.680 3.356 3.107 3.814 0.134 2 0 "[ ]" 1
1561 1 54 ASN QB 1 55 GLU HA . . 5.030 4.424 4.352 4.538 . 0 0 "[ ]" 1
1562 1 54 ASN QB 1 56 ARG H . . 5.340 5.007 4.950 5.096 . 0 0 "[ ]" 1
1563 1 54 ASN QB 1 57 ALA MB . . 4.270 3.841 3.620 4.006 . 0 0 "[ ]" 1
1564 1 54 ASN HB2 1 55 GLU H . . 4.280 3.909 3.273 4.261 . 0 0 "[ ]" 1
1565 1 54 ASN HB3 1 55 GLU H . . 4.280 3.887 3.192 4.383 0.103 2 0 "[ ]" 1
1566 1 54 ASN QD 1 55 GLU H . . 4.820 4.823 4.526 5.154 0.334 3 0 "[ ]" 1
1567 1 54 ASN QD 1 55 GLU HA . . 4.730 5.911 5.356 6.709 1.979 1 3 [+*-] 1
1568 1 55 GLU H 1 55 GLU QB . . 3.340 2.317 2.215 2.486 . 0 0 "[ ]" 1
1569 1 55 GLU H 1 55 GLU QG . . 4.120 4.185 4.165 4.224 0.104 2 0 "[ ]" 1
1570 1 55 GLU H 1 57 ALA H . . 4.460 4.227 4.004 4.585 0.125 2 0 "[ ]" 1
1571 1 55 GLU H 1 58 LYS H . . 5.500 5.130 4.952 5.238 . 0 0 "[ ]" 1
1572 1 55 GLU H 1 58 LYS QG . . 5.340 5.159 5.064 5.323 . 0 0 "[ ]" 1
1573 1 55 GLU HA 1 55 GLU QG . . 3.750 2.909 2.754 3.067 . 0 0 "[ ]" 1
1574 1 55 GLU HA 1 57 ALA H . . 4.310 4.095 3.866 4.382 0.072 2 0 "[ ]" 1
1575 1 55 GLU HA 1 58 LYS H . . 3.610 3.325 3.088 3.462 . 0 0 "[ ]" 1
1576 1 55 GLU HA 1 58 LYS HA . . 5.500 5.458 5.234 5.711 0.211 1 0 "[ ]" 1
1577 1 55 GLU HA 1 58 LYS HB2 . . 4.150 3.055 2.996 3.113 . 0 0 "[ ]" 1
1578 1 55 GLU HA 1 58 LYS HB3 . . 4.360 4.580 4.518 4.702 0.342 1 0 "[ ]" 1
1579 1 55 GLU HA 1 58 LYS QE . . 3.970 3.581 3.369 3.812 . 0 0 "[ ]" 1
1580 1 55 GLU HA 1 58 LYS QG . . 3.630 3.395 3.078 3.785 0.155 1 0 "[ ]" 1
1581 1 55 GLU HA 1 59 ILE H . . 5.500 4.873 4.584 5.189 . 0 0 "[ ]" 1
1582 1 55 GLU QB 1 56 ARG H . . 3.970 2.949 2.797 3.062 . 0 0 "[ ]" 1
1583 1 55 GLU QG 1 56 ARG H . . 4.620 4.228 4.096 4.294 . 0 0 "[ ]" 1
1584 1 56 ARG H 1 56 ARG HB2 . . 3.360 2.338 2.282 2.435 . 0 0 "[ ]" 1
1585 1 56 ARG H 1 56 ARG HD2 . . 4.970 5.200 5.163 5.269 0.299 2 0 "[ ]" 1
1586 1 56 ARG H 1 56 ARG HD3 . . 4.970 4.490 4.450 4.549 . 0 0 "[ ]" 1
1587 1 56 ARG H 1 56 ARG HE . . 5.500 5.989 5.902 6.105 0.605 2 1 "[ + ]" 1
1588 1 56 ARG H 1 56 ARG HG2 . . 3.860 3.825 3.718 3.992 0.132 2 0 "[ ]" 1
1589 1 56 ARG H 1 56 ARG QG . . 3.310 2.812 2.695 2.926 . 0 0 "[ ]" 1
1590 1 56 ARG H 1 56 ARG HG3 . . 3.860 2.894 2.766 3.009 . 0 0 "[ ]" 1
1591 1 56 ARG H 1 57 ALA H . . 3.100 2.651 2.601 2.709 . 0 0 "[ ]" 1
1592 1 56 ARG H 1 57 ALA MB . . 4.480 4.317 4.215 4.369 . 0 0 "[ ]" 1
1593 1 56 ARG H 1 58 LYS H . . 4.440 4.142 4.041 4.252 . 0 0 "[ ]" 1
1594 1 56 ARG H 1 58 LYS QG . . 4.570 5.412 4.981 5.757 1.187 1 2 "[+ -]" 1
1595 1 56 ARG HA 1 56 ARG HD2 . . 5.500 4.859 4.751 5.070 . 0 0 "[ ]" 1
1596 1 56 ARG HA 1 56 ARG HD3 . . 5.500 4.774 4.665 4.895 . 0 0 "[ ]" 1
1597 1 56 ARG HA 1 56 ARG HE . . 4.950 4.618 4.338 4.778 . 0 0 "[ ]" 1
1598 1 56 ARG HA 1 56 ARG QG . . 3.410 2.429 2.334 2.534 . 0 0 "[ ]" 1
1599 1 56 ARG HB2 1 56 ARG HE . . 5.020 4.284 4.207 4.326 . 0 0 "[ ]" 1
1600 1 56 ARG HB2 1 56 ARG HH11 . . 4.080 3.553 3.237 3.816 . 0 0 "[ ]" 1
1601 1 56 ARG HB2 1 57 ALA H . . 4.340 2.843 2.616 2.987 . 0 0 "[ ]" 1
1602 1 56 ARG HB2 1 58 LYS H . . 5.500 5.027 4.860 5.145 . 0 0 "[ ]" 1
1603 1 56 ARG HB3 1 56 ARG QD . . 3.640 2.964 2.769 3.079 . 0 0 "[ ]" 1
1604 1 56 ARG HB3 1 56 ARG HE . . 5.130 3.099 2.887 3.237 . 0 0 "[ ]" 1
1605 1 56 ARG HB3 1 56 ARG HH11 . . 4.450 3.646 3.450 3.800 . 0 0 "[ ]" 1
1606 1 56 ARG HB3 1 57 ALA H . . 4.900 3.580 3.455 3.653 . 0 0 "[ ]" 1
1607 1 56 ARG QG 1 56 ARG HH11 . . 4.250 3.931 3.838 4.015 . 0 0 "[ ]" 1
1608 1 56 ARG QG 1 56 ARG QH2 . . 4.640 4.314 4.255 4.407 . 0 0 "[ ]" 1
1609 1 56 ARG HG2 1 56 ARG HH11 . . 4.910 4.602 4.474 4.776 . 0 0 "[ ]" 1
1610 1 56 ARG HG3 1 56 ARG HH11 . . 4.910 4.268 4.178 4.317 . 0 0 "[ ]" 1
1611 1 57 ALA H 1 57 ALA MB . . 2.460 2.263 2.244 2.283 . 0 0 "[ ]" 1
1612 1 57 ALA H 1 58 LYS H . . 2.980 2.612 2.566 2.642 . 0 0 "[ ]" 1
1613 1 57 ALA H 1 58 LYS HA . . 5.250 5.187 5.013 5.279 0.029 3 0 "[ ]" 1
1614 1 57 ALA H 1 58 LYS HB2 . . 5.020 4.925 4.746 5.054 0.034 2 0 "[ ]" 1
1615 1 57 ALA H 1 58 LYS QG . . 5.160 4.053 3.700 4.254 . 0 0 "[ ]" 1
1616 1 57 ALA H 1 59 ILE H . . 4.130 4.226 4.144 4.296 0.166 2 0 "[ ]" 1
1617 1 57 ALA HA 1 59 ILE H . . 4.720 4.074 3.786 4.346 . 0 0 "[ ]" 1
1618 1 57 ALA MB 1 58 LYS H . . 3.000 3.107 2.852 3.444 0.444 1 0 "[ ]" 1
1619 1 57 ALA MB 1 58 LYS HA . . 4.220 4.056 3.643 4.470 0.250 1 0 "[ ]" 1
1620 1 57 ALA MB 1 59 ILE H . . 4.570 4.600 4.435 4.818 0.248 1 0 "[ ]" 1
1621 1 58 LYS H 1 58 LYS HB2 . . 3.120 2.531 2.367 2.666 . 0 0 "[ ]" 1
1622 1 58 LYS H 1 58 LYS HB3 . . 4.080 3.650 3.615 3.700 . 0 0 "[ ]" 1
1623 1 58 LYS H 1 58 LYS QE . . 4.480 4.403 4.185 4.527 0.047 1 0 "[ ]" 1
1624 1 58 LYS H 1 58 LYS QG . . 3.600 2.532 2.258 2.878 . 0 0 "[ ]" 1
1625 1 58 LYS H 1 59 ILE H . . 3.000 2.358 2.117 2.539 . 0 0 "[ ]" 1
1626 1 58 LYS H 1 60 LYS H . . 5.500 5.140 4.407 5.726 0.226 1 0 "[ ]" 1
1627 1 58 LYS HA 1 58 LYS QD . . 4.530 4.065 4.010 4.158 . 0 0 "[ ]" 1
1628 1 58 LYS HA 1 58 LYS QE . . 4.700 4.813 4.542 4.958 0.258 1 0 "[ ]" 1
1629 1 58 LYS HA 1 58 LYS QG . . 3.230 2.447 2.369 2.600 . 0 0 "[ ]" 1
1630 1 58 LYS HB2 1 58 LYS QE . . 4.650 4.105 4.066 4.162 . 0 0 "[ ]" 1
1631 1 58 LYS HB2 1 59 ILE H . . 3.270 3.216 2.903 3.539 0.269 3 0 "[ ]" 1
1632 1 58 LYS HB2 1 59 ILE QG . . 4.010 2.938 2.858 2.994 . 0 0 "[ ]" 1
1633 1 58 LYS HB3 1 58 LYS QE . . 4.540 4.257 3.999 4.460 . 0 0 "[ ]" 1
1634 1 58 LYS HB3 1 59 ILE MD . . 5.500 5.058 4.683 5.260 . 0 0 "[ ]" 1
1635 1 58 LYS QE 1 58 LYS QG . . 2.970 2.173 2.083 2.340 . 0 0 "[ ]" 1
1636 1 58 LYS QG 1 59 ILE H . . 5.340 4.290 4.143 4.409 . 0 0 "[ ]" 1
1637 1 59 ILE H 1 59 ILE HB . . 2.990 2.924 2.480 3.234 0.244 3 0 "[ ]" 1
1638 1 59 ILE H 1 59 ILE QG . . 3.330 2.746 2.567 3.074 . 0 0 "[ ]" 1
1639 1 59 ILE H 1 60 LYS H . . 3.700 3.293 2.788 4.000 0.300 1 0 "[ ]" 1
1640 1 59 ILE H 1 60 LYS HA . . 4.890 4.669 4.255 4.999 0.109 1 0 "[ ]" 1
1641 1 59 ILE HA 1 59 ILE HG12 . . 3.670 2.824 2.706 2.930 . 0 0 "[ ]" 1
1642 1 59 ILE HA 1 59 ILE HG13 . . 3.670 3.490 3.423 3.603 . 0 0 "[ ]" 1
1643 1 59 ILE HA 1 59 ILE MG . . 2.790 2.284 2.164 2.349 . 0 0 "[ ]" 1
1644 1 59 ILE HA 1 60 LYS H . . 2.600 2.346 2.051 2.619 0.019 2 0 "[ ]" 1
1645 1 59 ILE HA 1 61 LYS H . . 3.440 3.386 3.208 3.539 0.099 3 0 "[ ]" 1
1646 1 59 ILE HB 1 59 ILE MD . . 3.060 2.569 2.516 2.609 . 0 0 "[ ]" 1
1647 1 59 ILE HB 1 60 LYS H . . 4.500 4.407 4.215 4.560 0.060 3 0 "[ ]" 1
1648 1 59 ILE QG 1 59 ILE MG . . 3.310 2.499 2.422 2.538 . 0 0 "[ ]" 1
1649 1 59 ILE QG 1 60 LYS H . . 4.870 4.514 4.367 4.613 . 0 0 "[ ]" 1
1650 1 59 ILE MG 1 60 LYS H . . 4.180 3.810 3.460 4.073 . 0 0 "[ ]" 1
1651 1 59 ILE MG 1 60 LYS HA . . 4.670 4.515 4.262 4.643 . 0 0 "[ ]" 1
1652 1 59 ILE MG 1 61 LYS H . . 4.140 3.522 3.004 3.914 . 0 0 "[ ]" 1
1653 1 59 ILE MG 1 61 LYS HA . . 4.920 4.824 4.638 5.068 0.148 2 0 "[ ]" 1
1654 1 59 ILE MG 1 61 LYS HB2 . . 5.500 5.413 5.018 5.725 0.225 3 0 "[ ]" 1
1655 1 59 ILE MG 1 61 LYS HB3 . . 5.500 4.274 3.845 4.779 . 0 0 "[ ]" 1
1656 1 59 ILE MG 1 61 LYS QD . . 5.340 5.407 5.122 5.855 0.515 3 1 "[ +]" 1
1657 1 59 ILE MG 1 61 LYS QG . . 4.800 4.868 4.772 4.924 0.124 2 0 "[ ]" 1
1658 1 59 ILE MG 1 62 SER H . . 5.500 4.918 4.765 5.175 . 0 0 "[ ]" 1
1659 1 60 LYS H 1 60 LYS HB2 . . 3.620 2.834 2.744 2.972 . 0 0 "[ ]" 1
1660 1 60 LYS H 1 60 LYS QB . . 3.070 2.274 2.213 2.313 . 0 0 "[ ]" 1
1661 1 60 LYS H 1 60 LYS HB3 . . 3.620 2.401 2.322 2.491 . 0 0 "[ ]" 1
1662 1 60 LYS H 1 60 LYS QD . . 4.490 4.591 4.388 4.722 0.232 1 0 "[ ]" 1
1663 1 60 LYS H 1 60 LYS HG2 . . 5.350 4.433 4.279 4.668 . 0 0 "[ ]" 1
1664 1 60 LYS H 1 60 LYS HG3 . . 5.350 4.608 4.562 4.665 . 0 0 "[ ]" 1
1665 1 60 LYS H 1 61 LYS H . . 3.680 2.709 2.538 2.956 . 0 0 "[ ]" 1
1666 1 60 LYS HA 1 60 LYS QD . . 4.550 3.858 3.660 3.991 . 0 0 "[ ]" 1
1667 1 60 LYS HA 1 60 LYS QG . . 3.730 2.540 2.447 2.678 . 0 0 "[ ]" 1
1668 1 60 LYS QB 1 61 LYS H . . 3.470 3.130 3.046 3.272 . 0 0 "[ ]" 1
1669 1 60 LYS QD 1 60 LYS QE . . 2.490 2.088 2.041 2.131 . 0 0 "[ ]" 1
1670 1 61 LYS H 1 61 LYS QB . . 3.470 2.397 2.297 2.513 . 0 0 "[ ]" 1
1671 1 61 LYS H 1 61 LYS QD . . 3.790 4.490 4.337 4.660 0.870 3 3 [*-+] 1
1672 1 61 LYS H 1 61 LYS QG . . 4.210 4.056 4.004 4.134 . 0 0 "[ ]" 1
1673 1 61 LYS H 1 62 SER QB . . 4.860 5.113 4.864 5.277 0.417 2 0 "[ ]" 1
1674 1 61 LYS HA 1 61 LYS QD . . 3.710 4.099 4.060 4.176 0.466 2 0 "[ ]" 1
1675 1 61 LYS HA 1 62 SER H . . 3.080 2.040 2.000 2.081 . 0 0 "[ ]" 1
1676 1 61 LYS HA 1 62 SER HA . . 4.500 4.361 4.275 4.464 . 0 0 "[ ]" 1
1677 1 61 LYS QB 1 61 LYS QD . . 2.420 2.075 2.020 2.151 . 0 0 "[ ]" 1
1678 1 61 LYS QB 1 62 SER QB . . 5.340 5.095 4.999 5.186 . 0 0 "[ ]" 1
1679 1 61 LYS QD 1 62 SER H . . 4.820 4.683 4.413 4.915 0.095 1 0 "[ ]" 1
1680 1 61 LYS QD 1 62 SER HA . . 5.340 5.152 4.865 5.327 . 0 0 "[ ]" 1
1681 1 62 SER H 1 62 SER QB . . 3.360 3.175 3.005 3.267 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 10:54:55 AM GMT (wattos1)