NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409805 |
1zu1   |
6655 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zu1
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 666
_Distance_constraint_stats_list.Viol_count 1564
_Distance_constraint_stats_list.Viol_total 4874.861
_Distance_constraint_stats_list.Viol_max 0.884
_Distance_constraint_stats_list.Viol_rms 0.0735
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0183
_Distance_constraint_stats_list.Viol_average_violations_only 0.1558
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 1.047 0.359 19 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 1.833 0.180 5 0 "[ . 1 . 2]"
1 11 ASP 4.568 0.340 14 0 "[ . 1 . 2]"
1 12 LEU 0.502 0.196 17 0 "[ . 1 . 2]"
1 13 PRO 0.826 0.298 14 0 "[ . 1 . 2]"
1 14 VAL 2.719 0.380 18 0 "[ . 1 . 2]"
1 15 GLY 1.015 0.113 7 0 "[ . 1 . 2]"
1 16 LYS 8.038 0.340 19 0 "[ . 1 . 2]"
1 17 ASP 3.823 0.340 19 0 "[ . 1 . 2]"
1 18 ALA 1.400 0.417 14 0 "[ . 1 . 2]"
1 19 VAL 0.173 0.070 19 0 "[ . 1 . 2]"
1 20 ASN 1.178 0.329 6 0 "[ . 1 . 2]"
1 21 SER 6.377 0.727 12 3 "[ . -1 +* . 2]"
1 22 LEU 9.798 0.653 15 1 "[ . 1 + 2]"
1 23 ILE 3.228 0.278 18 0 "[ . 1 . 2]"
1 24 ARG 7.476 0.727 12 3 "[ . -1 +* . 2]"
1 25 GLU 10.619 0.653 15 1 "[ . 1 + 2]"
1 26 ASN 1.122 0.085 18 0 "[ . 1 . 2]"
1 27 SER 0.022 0.012 4 0 "[ . 1 . 2]"
1 28 HIS 0.012 0.012 8 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.455 0.057 12 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 2.293 0.259 8 0 "[ . 1 . 2]"
1 33 THR 1.968 0.179 1 0 "[ . 1 . 2]"
1 34 GLN 2.504 0.157 12 0 "[ . 1 . 2]"
1 35 CYS 1.919 0.093 14 0 "[ . 1 . 2]"
1 36 LYS 11.912 0.677 7 3 "[ - + 1 * . 2]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 6.827 0.721 15 1 "[ . 1 + 2]"
1 39 SER 3.887 0.149 19 0 "[ . 1 . 2]"
1 40 ALA 1.732 0.104 5 0 "[ . 1 . 2]"
1 41 VAL 3.003 0.157 12 0 "[ . 1 . 2]"
1 42 LEU 1.034 0.070 1 0 "[ . 1 . 2]"
1 43 ILE 1.315 0.338 1 0 "[ . 1 . 2]"
1 44 SER 2.541 0.486 15 0 "[ . 1 . 2]"
1 45 GLU 5.773 0.389 5 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 2.622 0.233 15 0 "[ . 1 . 2]"
1 48 LYS 11.050 0.486 15 0 "[ . 1 . 2]"
1 49 LEU 0.389 0.389 5 0 "[ . 1 . 2]"
1 50 ALA 10.550 0.598 13 8 "[* **.* 1- + * *2]"
1 51 HIS 1.359 0.095 1 0 "[ . 1 . 2]"
1 52 TYR 0.619 0.052 14 0 "[ . 1 . 2]"
1 53 GLN 11.199 0.598 13 8 "[* **.* 1- + * *2]"
1 54 SER 1.483 0.233 17 0 "[ . 1 . 2]"
1 55 ARG 5.921 0.599 6 6 "[ *.+ * * . *-]"
1 56 LYS 14.041 0.664 17 7 "[ * - * * . +**2]"
1 57 HIS 9.068 0.664 17 7 "[ * - * * . +**2]"
1 58 ALA 1.919 0.204 12 0 "[ . 1 . 2]"
1 59 ASN 3.669 0.583 13 1 "[ . 1 + . 2]"
1 60 LYS 9.853 0.721 15 1 "[ . 1 + 2]"
1 61 VAL 0.655 0.050 7 0 "[ . 1 . 2]"
1 62 ARG 7.706 0.603 13 6 "[ . * 1 *+ .-* *]"
1 63 ARG 3.983 0.385 9 0 "[ . 1 . 2]"
1 64 TYR 7.817 0.600 5 1 "[ + 1 . 2]"
1 65 MET 1.781 0.147 16 0 "[ . 1 . 2]"
1 66 ALA 0.103 0.047 13 0 "[ . 1 . 2]"
1 67 ILE 4.773 0.600 5 1 "[ + 1 . 2]"
1 68 ASN 0.252 0.101 19 0 "[ . 1 . 2]"
1 69 GLN 1.644 0.390 9 0 "[ . 1 . 2]"
1 71 GLU 5.624 0.389 1 0 "[ . 1 . 2]"
1 72 ASP 0.426 0.165 5 0 "[ . 1 . 2]"
1 73 SER 0.337 0.134 6 0 "[ . 1 . 2]"
1 74 VAL 0.337 0.134 6 0 "[ . 1 . 2]"
1 75 PRO 0.111 0.049 15 0 "[ . 1 . 2]"
1 76 ALA 0.111 0.049 15 0 "[ . 1 . 2]"
1 77 LYS 1.833 0.174 9 0 "[ . 1 . 2]"
1 78 LYS 0.570 0.166 6 0 "[ . 1 . 2]"
1 80 LYS 0.882 0.751 17 1 "[ . 1 . + 2]"
1 81 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 82 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 83 PRO 0.034 0.034 2 0 "[ . 1 . 2]"
1 84 ALA 0.154 0.117 4 0 "[ . 1 . 2]"
1 85 GLU 1.651 0.198 18 0 "[ . 1 . 2]"
1 86 ILE 1.661 0.629 7 2 "[- . + 1 . 2]"
1 90 GLU 3.392 0.825 9 1 "[ . +1 . 2]"
1 91 ASP 1.281 0.629 7 2 "[- . + 1 . 2]"
1 92 ARG 2.281 0.237 19 0 "[ . 1 . 2]"
1 93 SER 0.796 0.189 14 0 "[ . 1 . 2]"
1 94 LYS 4.947 0.310 14 0 "[ . 1 . 2]"
1 95 CYS 7.541 0.884 6 6 "[ .+* *1 * . -* 2]"
1 96 CYS 0.520 0.242 6 0 "[ . 1 . 2]"
1 97 PRO 1.127 0.097 7 0 "[ . 1 . 2]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 CYS 3.305 0.233 19 0 "[ . 1 . 2]"
1 100 ASN 5.400 0.233 19 0 "[ . 1 . 2]"
1 101 MET 1.437 0.242 6 0 "[ . 1 . 2]"
1 102 THR 6.078 0.884 6 6 "[ .+* *1 * . -* 2]"
1 103 PHE 5.053 0.265 7 0 "[ . 1 . 2]"
1 104 SER 4.172 0.265 7 0 "[ . 1 . 2]"
1 105 SER 6.989 0.816 14 6 "[ * 1 *+. * -*]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 2.341 0.385 5 0 "[ . 1 . 2]"
1 108 VAL 13.499 0.882 4 8 "[ *+* 1 **. * -*]"
1 109 ALA 2.622 0.623 8 1 "[ . + 1 . 2]"
1 110 GLU 9.328 0.434 12 0 "[ . 1 . 2]"
1 111 SER 7.932 0.882 4 2 "[ -+. 1 . 2]"
1 112 HIS 2.198 0.623 8 1 "[ . + 1 . 2]"
1 113 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.074 0.048 9 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 3.587 0.421 18 0 "[ . 1 . 2]"
1 117 THR 6.500 0.852 3 8 "[* +*. *-*1 .** 2]"
1 118 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LYS 9.691 0.852 3 9 "[* +*.**-*1 .** 2]"
1 121 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 LEU 1.238 0.202 16 0 "[ . 1 . 2]"
1 123 ARG 5.083 0.720 1 2 "[+ .- 1 . 2]"
1 124 LEU 3.850 0.536 11 2 "[ . 1+ - . 2]"
1 125 ARG 15.022 0.536 11 2 "[ . 1+ - . 2]"
1 126 GLU 0.824 0.279 10 0 "[ . 1 . 2]"
1 127 GLN 0.631 0.180 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU HB2 1 3 GLU HG3 . . 2.700 2.535 2.288 3.059 0.359 19 0 "[ . 1 . 2]" 1
2 1 9 ALA HA 1 10 LEU H . . 3.520 2.467 2.146 3.227 . 0 0 "[ . 1 . 2]" 1
3 1 10 LEU H 1 11 ASP H . . 4.090 4.147 3.504 4.270 0.180 5 0 "[ . 1 . 2]" 1
4 1 10 LEU HB3 1 11 ASP H . . 4.470 4.072 2.598 4.486 0.016 15 0 "[ . 1 . 2]" 1
5 1 10 LEU HG 1 11 ASP H . . 4.100 3.235 2.010 4.113 0.013 4 0 "[ . 1 . 2]" 1
6 1 11 ASP H 1 12 LEU H . . 4.220 2.811 2.050 3.711 . 0 0 "[ . 1 . 2]" 1
7 1 11 ASP HA 1 11 ASP HB2 . . 2.710 2.669 2.345 3.050 0.340 14 0 "[ . 1 . 2]" 1
8 1 11 ASP HA 1 12 LEU H . . 3.060 2.841 2.326 3.256 0.196 17 0 "[ . 1 . 2]" 1
9 1 11 ASP HB3 1 12 LEU H . . 5.000 4.346 3.270 4.602 . 0 0 "[ . 1 . 2]" 1
10 1 12 LEU HB2 1 13 PRO QD . . 5.000 3.416 2.113 4.130 . 0 0 "[ . 1 . 2]" 1
11 1 12 LEU HB3 1 13 PRO QD . . 4.000 2.641 2.005 4.118 0.118 15 0 "[ . 1 . 2]" 1
12 1 13 PRO HA 1 14 VAL H . . 3.010 2.323 2.190 2.554 . 0 0 "[ . 1 . 2]" 1
13 1 13 PRO HB2 1 14 VAL H . . 3.580 3.100 2.418 3.878 0.298 14 0 "[ . 1 . 2]" 1
14 1 13 PRO HB3 1 14 VAL H . . 4.230 3.537 2.532 4.083 . 0 0 "[ . 1 . 2]" 1
15 1 13 PRO QD 1 53 GLN HA . . 5.000 2.794 1.952 3.451 . 0 0 "[ . 1 . 2]" 1
16 1 13 PRO HG2 1 53 GLN HA . . 4.690 2.892 2.129 4.264 . 0 0 "[ . 1 . 2]" 1
17 1 13 PRO HG3 1 53 GLN HA . . 5.500 4.211 3.192 5.533 0.033 11 0 "[ . 1 . 2]" 1
18 1 14 VAL H 1 14 VAL HB . . 3.460 3.040 2.589 3.221 . 0 0 "[ . 1 . 2]" 1
19 1 14 VAL HA 1 15 GLY H . . 2.830 2.662 2.085 2.943 0.113 7 0 "[ . 1 . 2]" 1
20 1 14 VAL HA 1 53 GLN HG2 . . 4.280 3.420 2.789 4.016 . 0 0 "[ . 1 . 2]" 1
21 1 14 VAL HA 1 53 GLN HG3 . . 4.950 4.838 3.353 5.330 0.380 18 0 "[ . 1 . 2]" 1
22 1 15 GLY H 1 53 GLN HG2 . . 5.500 3.716 3.178 4.354 . 0 0 "[ . 1 . 2]" 1
23 1 15 GLY HA2 1 16 LYS H . . 3.510 2.408 2.313 2.490 . 0 0 "[ . 1 . 2]" 1
24 1 16 LYS H 1 16 LYS QB . . 3.570 2.357 2.141 2.626 . 0 0 "[ . 1 . 2]" 1
25 1 16 LYS H 1 16 LYS HG3 . . 4.650 3.826 2.218 4.472 . 0 0 "[ . 1 . 2]" 1
26 1 16 LYS HA 1 16 LYS HG3 . . 4.040 2.941 2.380 3.909 . 0 0 "[ . 1 . 2]" 1
27 1 16 LYS HA 1 19 VAL H . . 3.740 3.497 3.225 3.810 0.070 19 0 "[ . 1 . 2]" 1
28 1 16 LYS HA 1 19 VAL HB . . 3.300 2.668 2.338 3.253 . 0 0 "[ . 1 . 2]" 1
29 1 16 LYS HA 1 20 ASN H . . 4.620 3.874 3.662 4.259 . 0 0 "[ . 1 . 2]" 1
30 1 16 LYS QB 1 16 LYS HE2 . . 4.980 3.402 2.298 4.546 . 0 0 "[ . 1 . 2]" 1
31 1 16 LYS QB 1 17 ASP H . . 3.430 2.708 2.425 3.008 . 0 0 "[ . 1 . 2]" 1
32 1 16 LYS HD2 1 16 LYS HE2 . . 2.940 2.906 2.479 3.053 0.113 17 0 "[ . 1 . 2]" 1
33 1 16 LYS HD3 1 16 LYS HE3 . . 3.010 2.910 2.441 3.053 0.043 20 0 "[ . 1 . 2]" 1
34 1 16 LYS HD3 1 16 LYS HG3 . . 2.790 2.799 2.370 3.058 0.268 6 0 "[ . 1 . 2]" 1
35 1 16 LYS HG3 1 17 ASP H . . 4.430 4.442 3.536 4.770 0.340 19 0 "[ . 1 . 2]" 1
36 1 17 ASP H 1 17 ASP HB2 . . 3.760 2.471 2.442 2.501 . 0 0 "[ . 1 . 2]" 1
37 1 17 ASP H 1 17 ASP HB3 . . 3.670 3.605 3.591 3.612 . 0 0 "[ . 1 . 2]" 1
38 1 17 ASP H 1 18 ALA H . . 3.080 2.818 2.749 2.952 . 0 0 "[ . 1 . 2]" 1
39 1 17 ASP HA 1 17 ASP HB3 . . 3.040 2.507 2.503 2.516 . 0 0 "[ . 1 . 2]" 1
40 1 17 ASP HA 1 19 VAL H . . 4.840 4.640 4.582 4.713 . 0 0 "[ . 1 . 2]" 1
41 1 17 ASP HA 1 20 ASN HB2 . . 3.770 3.418 2.606 4.099 0.329 6 0 "[ . 1 . 2]" 1
42 1 17 ASP HA 1 20 ASN HD21 . . 4.510 3.621 3.065 4.125 . 0 0 "[ . 1 . 2]" 1
43 1 17 ASP HA 1 21 SER H . . 4.620 4.091 3.863 4.472 . 0 0 "[ . 1 . 2]" 1
44 1 17 ASP HB2 1 18 ALA H . . 4.000 2.624 2.546 2.702 . 0 0 "[ . 1 . 2]" 1
45 1 17 ASP HB3 1 18 ALA H . . 4.250 3.583 3.494 3.662 . 0 0 "[ . 1 . 2]" 1
46 1 18 ALA H 1 19 VAL H . . 3.080 2.691 2.613 2.800 . 0 0 "[ . 1 . 2]" 1
47 1 18 ALA H 1 20 ASN H . . 4.620 4.247 4.125 4.447 . 0 0 "[ . 1 . 2]" 1
48 1 18 ALA HA 1 19 VAL H . . 3.850 3.608 3.588 3.623 . 0 0 "[ . 1 . 2]" 1
49 1 18 ALA HA 1 20 ASN H . . 4.840 4.596 4.410 4.744 . 0 0 "[ . 1 . 2]" 1
50 1 18 ALA HA 1 21 SER H . . 3.740 3.501 3.286 3.698 . 0 0 "[ . 1 . 2]" 1
51 1 18 ALA HA 1 21 SER HB2 . . 3.290 2.901 2.550 3.707 0.417 14 0 "[ . 1 . 2]" 1
52 1 19 VAL H 1 19 VAL HB . . 3.290 2.465 2.427 2.511 . 0 0 "[ . 1 . 2]" 1
53 1 19 VAL H 1 20 ASN H . . 3.080 2.780 2.722 2.833 . 0 0 "[ . 1 . 2]" 1
54 1 19 VAL HA 1 20 ASN H . . 3.850 3.613 3.597 3.642 . 0 0 "[ . 1 . 2]" 1
55 1 19 VAL HA 1 22 LEU H . . 3.740 3.449 3.318 3.545 . 0 0 "[ . 1 . 2]" 1
56 1 19 VAL HA 1 22 LEU HB2 . . 3.630 3.387 2.992 3.605 . 0 0 "[ . 1 . 2]" 1
57 1 19 VAL HA 1 22 LEU HB3 . . 3.650 2.558 2.335 2.800 . 0 0 "[ . 1 . 2]" 1
58 1 19 VAL HA 1 22 LEU HG . . 5.140 4.850 4.703 5.166 0.026 7 0 "[ . 1 . 2]" 1
59 1 19 VAL HB 1 20 ASN H . . 3.640 2.734 2.650 2.848 . 0 0 "[ . 1 . 2]" 1
60 1 20 ASN H 1 20 ASN HB2 . . 3.570 2.475 2.195 2.685 . 0 0 "[ . 1 . 2]" 1
61 1 20 ASN H 1 20 ASN HB3 . . 3.790 2.876 2.282 3.590 . 0 0 "[ . 1 . 2]" 1
62 1 20 ASN H 1 20 ASN HD21 . . 4.710 4.049 2.517 4.428 . 0 0 "[ . 1 . 2]" 1
63 1 20 ASN H 1 21 SER H . . 3.080 2.798 2.721 2.855 . 0 0 "[ . 1 . 2]" 1
64 1 20 ASN H 1 22 LEU H . . 4.620 4.250 4.167 4.297 . 0 0 "[ . 1 . 2]" 1
65 1 20 ASN HA 1 21 SER H . . 3.850 3.608 3.581 3.652 . 0 0 "[ . 1 . 2]" 1
66 1 20 ASN HA 1 22 LEU H . . 4.620 4.579 4.497 4.625 0.005 20 0 "[ . 1 . 2]" 1
67 1 20 ASN HA 1 23 ILE H . . 3.740 3.571 3.478 3.681 . 0 0 "[ . 1 . 2]" 1
68 1 20 ASN HA 1 23 ILE HB . . 3.610 2.772 2.589 3.017 . 0 0 "[ . 1 . 2]" 1
69 1 20 ASN HA 1 23 ILE HG13 . . 5.330 4.092 3.912 4.297 . 0 0 "[ . 1 . 2]" 1
70 1 20 ASN HA 1 24 ARG H . . 4.520 4.040 3.912 4.264 . 0 0 "[ . 1 . 2]" 1
71 1 20 ASN HB2 1 21 SER H . . 4.050 3.458 2.710 4.045 . 0 0 "[ . 1 . 2]" 1
72 1 20 ASN HB3 1 21 SER H . . 4.120 3.028 2.603 3.714 . 0 0 "[ . 1 . 2]" 1
73 1 21 SER H 1 21 SER HB2 . . 3.190 2.495 2.367 2.586 . 0 0 "[ . 1 . 2]" 1
74 1 21 SER H 1 22 LEU H . . 3.080 2.748 2.667 2.831 . 0 0 "[ . 1 . 2]" 1
75 1 21 SER H 1 23 ILE H . . 4.620 4.264 4.176 4.346 . 0 0 "[ . 1 . 2]" 1
76 1 21 SER HA 1 23 ILE H . . 4.840 4.507 4.396 4.615 . 0 0 "[ . 1 . 2]" 1
77 1 21 SER HA 1 24 ARG H . . 3.740 3.461 3.310 3.617 . 0 0 "[ . 1 . 2]" 1
78 1 21 SER HA 1 24 ARG HB2 . . 3.070 3.175 2.482 3.797 0.727 12 3 "[ . -1 +* . 2]" 1
79 1 21 SER HA 1 24 ARG QG . . 4.840 4.092 3.053 4.434 . 0 0 "[ . 1 . 2]" 1
80 1 21 SER HB3 1 22 LEU H . . 3.800 3.436 2.552 3.731 . 0 0 "[ . 1 . 2]" 1
81 1 22 LEU H 1 22 LEU HB2 . . 3.240 2.393 2.320 2.449 . 0 0 "[ . 1 . 2]" 1
82 1 22 LEU H 1 22 LEU HB3 . . 3.320 2.468 2.307 2.687 . 0 0 "[ . 1 . 2]" 1
83 1 22 LEU H 1 23 ILE H . . 3.080 2.777 2.735 2.844 . 0 0 "[ . 1 . 2]" 1
84 1 22 LEU HA 1 23 ILE H . . 3.850 3.580 3.568 3.593 . 0 0 "[ . 1 . 2]" 1
85 1 22 LEU HA 1 24 ARG H . . 4.840 4.658 4.552 4.744 . 0 0 "[ . 1 . 2]" 1
86 1 22 LEU HA 1 25 GLU HB2 . . 3.700 2.968 2.791 3.352 . 0 0 "[ . 1 . 2]" 1
87 1 22 LEU HA 1 25 GLU HB3 . . 4.320 4.591 4.400 4.973 0.653 15 1 "[ . 1 + 2]" 1
88 1 22 LEU HA 1 26 ASN H . . 4.520 4.575 4.553 4.605 0.085 18 0 "[ . 1 . 2]" 1
89 1 22 LEU HA 1 26 ASN HD21 . . 4.880 2.941 2.801 3.083 . 0 0 "[ . 1 . 2]" 1
90 1 22 LEU HB2 1 23 ILE H . . 3.730 3.891 3.741 4.008 0.278 18 0 "[ . 1 . 2]" 1
91 1 23 ILE H 1 23 ILE HB . . 3.320 2.384 2.332 2.446 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE H 1 23 ILE HG12 . . 3.900 3.765 3.684 3.811 . 0 0 "[ . 1 . 2]" 1
93 1 23 ILE H 1 23 ILE HG13 . . 3.620 2.416 2.328 2.472 . 0 0 "[ . 1 . 2]" 1
94 1 23 ILE HA 1 23 ILE HG12 . . 4.050 2.628 2.583 2.658 . 0 0 "[ . 1 . 2]" 1
95 1 23 ILE HA 1 24 ARG H . . 3.850 3.608 3.590 3.634 . 0 0 "[ . 1 . 2]" 1
96 1 23 ILE HA 1 25 GLU H . . 4.840 4.658 4.427 4.762 . 0 0 "[ . 1 . 2]" 1
97 1 23 ILE HA 1 30 PHE HB2 . . 3.870 2.316 2.228 2.446 . 0 0 "[ . 1 . 2]" 1
98 1 23 ILE HA 1 30 PHE HB3 . . 4.100 2.939 2.671 3.185 . 0 0 "[ . 1 . 2]" 1
99 1 23 ILE HB 1 24 ARG H . . 3.500 2.613 2.521 2.742 . 0 0 "[ . 1 . 2]" 1
100 1 23 ILE HG12 1 30 PHE HB3 . . 5.170 2.532 2.450 2.661 . 0 0 "[ . 1 . 2]" 1
101 1 24 ARG H 1 24 ARG HB2 . . 3.150 2.437 2.194 2.650 . 0 0 "[ . 1 . 2]" 1
102 1 24 ARG H 1 24 ARG QG . . 5.130 3.544 2.290 4.043 . 0 0 "[ . 1 . 2]" 1
103 1 24 ARG H 1 25 GLU H . . 3.840 2.855 2.747 2.946 . 0 0 "[ . 1 . 2]" 1
104 1 24 ARG HA 1 24 ARG HB2 . . 2.830 2.665 2.427 3.045 0.215 6 0 "[ . 1 . 2]" 1
105 1 24 ARG HA 1 24 ARG QG . . 3.310 2.624 2.340 3.102 . 0 0 "[ . 1 . 2]" 1
106 1 24 ARG HA 1 25 GLU H . . 3.850 3.569 3.529 3.609 . 0 0 "[ . 1 . 2]" 1
107 1 24 ARG HB2 1 24 ARG QG . . 2.490 2.321 2.126 2.461 . 0 0 "[ . 1 . 2]" 1
108 1 24 ARG HB3 1 25 GLU H . . 3.430 2.912 2.495 3.845 0.415 4 0 "[ . 1 . 2]" 1
109 1 24 ARG QG 1 25 GLU H . . 5.490 3.853 3.207 4.601 . 0 0 "[ . 1 . 2]" 1
110 1 25 GLU H 1 25 GLU HB2 . . 3.170 2.351 2.170 2.470 . 0 0 "[ . 1 . 2]" 1
111 1 25 GLU H 1 25 GLU HB3 . . 3.460 3.584 3.467 3.630 0.170 14 0 "[ . 1 . 2]" 1
112 1 25 GLU H 1 25 GLU HG2 . . 3.820 3.119 2.414 4.022 0.202 20 0 "[ . 1 . 2]" 1
113 1 25 GLU HA 1 25 GLU HG2 . . 4.050 2.768 2.403 3.612 . 0 0 "[ . 1 . 2]" 1
114 1 25 GLU HA 1 25 GLU HG3 . . 3.630 3.310 2.368 3.791 0.161 11 0 "[ . 1 . 2]" 1
115 1 25 GLU HA 1 26 ASN H . . 3.850 3.439 3.370 3.482 . 0 0 "[ . 1 . 2]" 1
116 1 25 GLU HB2 1 25 GLU HG3 . . 2.880 2.493 2.377 3.047 0.167 20 0 "[ . 1 . 2]" 1
117 1 25 GLU HB2 1 26 ASN H . . 3.980 3.341 3.204 3.569 . 0 0 "[ . 1 . 2]" 1
118 1 26 ASN H 1 26 ASN HB3 . . 4.170 3.823 3.787 3.869 . 0 0 "[ . 1 . 2]" 1
119 1 26 ASN H 1 26 ASN HD21 . . 4.420 2.965 2.931 3.024 . 0 0 "[ . 1 . 2]" 1
120 1 26 ASN H 1 27 SER H . . 4.000 2.648 2.488 2.773 . 0 0 "[ . 1 . 2]" 1
121 1 26 ASN HA 1 27 SER H . . 3.270 2.860 2.780 2.962 . 0 0 "[ . 1 . 2]" 1
122 1 26 ASN HA 1 28 HIS HE1 . . 3.840 2.606 2.243 3.852 0.012 8 0 "[ . 1 . 2]" 1
123 1 26 ASN HB3 1 28 HIS HE1 . . 4.950 3.265 2.850 4.042 . 0 0 "[ . 1 . 2]" 1
124 1 26 ASN HB3 1 29 ILE HG12 . . 5.110 2.533 2.385 2.715 . 0 0 "[ . 1 . 2]" 1
125 1 26 ASN HB3 1 29 ILE HG13 . . 5.350 2.476 2.333 2.612 . 0 0 "[ . 1 . 2]" 1
126 1 27 SER HA 1 27 SER HB2 . . 3.020 2.517 2.446 3.032 0.012 4 0 "[ . 1 . 2]" 1
127 1 27 SER HA 1 27 SER HB3 . . 3.000 2.413 2.383 2.465 . 0 0 "[ . 1 . 2]" 1
128 1 28 HIS HA 1 28 HIS HB3 . . 2.770 2.432 2.343 2.458 . 0 0 "[ . 1 . 2]" 1
129 1 30 PHE H 1 30 PHE HB2 . . 3.860 2.643 2.556 2.694 . 0 0 "[ . 1 . 2]" 1
130 1 30 PHE HA 1 31 SER H . . 3.320 2.266 2.205 2.339 . 0 0 "[ . 1 . 2]" 1
131 1 30 PHE HA 1 35 CYS HA . . 2.530 2.552 2.518 2.587 0.057 12 0 "[ . 1 . 2]" 1
132 1 30 PHE HA 1 36 LYS H . . 3.540 3.350 3.044 3.454 . 0 0 "[ . 1 . 2]" 1
133 1 30 PHE HB3 1 31 SER H . . 4.370 2.815 2.685 3.017 . 0 0 "[ . 1 . 2]" 1
134 1 30 PHE HZ 1 57 HIS HE1 . . 5.150 3.551 3.286 3.756 . 0 0 "[ . 1 . 2]" 1
135 1 31 SER H 1 34 GLN H . . 4.680 3.401 3.230 3.566 . 0 0 "[ . 1 . 2]" 1
136 1 31 SER H 1 35 CYS HA . . 4.620 3.544 3.323 3.649 . 0 0 "[ . 1 . 2]" 1
137 1 31 SER H 1 36 LYS H . . 5.500 4.956 4.617 5.090 . 0 0 "[ . 1 . 2]" 1
138 1 31 SER HB2 1 34 GLN H . . 4.660 3.996 3.870 4.129 . 0 0 "[ . 1 . 2]" 1
139 1 31 SER HB3 1 32 ASP H . . 4.170 3.778 3.720 3.860 . 0 0 "[ . 1 . 2]" 1
140 1 31 SER HB3 1 33 THR H . . 4.720 4.245 4.064 4.424 . 0 0 "[ . 1 . 2]" 1
141 1 32 ASP H 1 32 ASP HB2 . . 3.610 2.351 2.284 2.511 . 0 0 "[ . 1 . 2]" 1
142 1 32 ASP H 1 33 THR H . . 4.270 2.822 2.756 3.012 . 0 0 "[ . 1 . 2]" 1
143 1 32 ASP HA 1 48 LYS HD2 . . 3.710 2.332 2.092 2.729 . 0 0 "[ . 1 . 2]" 1
144 1 32 ASP HA 1 48 LYS HD3 . . 3.870 3.700 3.143 4.129 0.259 8 0 "[ . 1 . 2]" 1
145 1 32 ASP HA 1 48 LYS HE3 . . 4.210 3.915 3.876 3.962 . 0 0 "[ . 1 . 2]" 1
146 1 32 ASP HB2 1 33 THR H . . 4.050 3.942 3.284 4.229 0.179 1 0 "[ . 1 . 2]" 1
147 1 33 THR HA 1 42 LEU HA . . 4.890 4.798 4.666 4.867 . 0 0 "[ . 1 . 2]" 1
148 1 33 THR HA 1 42 LEU HB2 . . 3.540 2.407 2.092 2.504 . 0 0 "[ . 1 . 2]" 1
149 1 33 THR HA 1 42 LEU HB3 . . 4.020 3.708 3.386 3.792 . 0 0 "[ . 1 . 2]" 1
150 1 33 THR HB 1 42 LEU HB2 . . 4.460 4.378 4.066 4.530 0.070 1 0 "[ . 1 . 2]" 1
151 1 34 GLN H 1 42 LEU HB2 . . 3.790 3.529 3.446 3.618 . 0 0 "[ . 1 . 2]" 1
152 1 34 GLN H 1 42 LEU HG . . 4.650 4.300 3.960 4.557 . 0 0 "[ . 1 . 2]" 1
153 1 34 GLN HA 1 34 GLN HG2 . . 3.430 3.100 2.993 3.172 . 0 0 "[ . 1 . 2]" 1
154 1 34 GLN HA 1 34 GLN HG3 . . 3.150 2.608 2.542 2.697 . 0 0 "[ . 1 . 2]" 1
155 1 34 GLN HA 1 35 CYS H . . 2.390 2.215 2.172 2.240 . 0 0 "[ . 1 . 2]" 1
156 1 34 GLN HA 1 41 VAL HA . . 2.530 2.364 2.333 2.402 . 0 0 "[ . 1 . 2]" 1
157 1 34 GLN HA 1 42 LEU H . . 3.540 2.785 2.689 2.838 . 0 0 "[ . 1 . 2]" 1
158 1 34 GLN HA 1 42 LEU HB3 . . 4.840 4.888 4.871 4.905 0.065 12 0 "[ . 1 . 2]" 1
159 1 34 GLN HA 1 42 LEU HG . . 5.000 2.569 2.353 2.761 . 0 0 "[ . 1 . 2]" 1
160 1 34 GLN HG2 1 35 CYS H . . 3.910 2.610 2.470 2.832 . 0 0 "[ . 1 . 2]" 1
161 1 34 GLN HG2 1 41 VAL HA . . 3.990 4.061 3.924 4.147 0.157 12 0 "[ . 1 . 2]" 1
162 1 34 GLN HG3 1 41 VAL HA . . 3.390 2.540 2.464 2.628 . 0 0 "[ . 1 . 2]" 1
163 1 35 CYS H 1 40 ALA H . . 3.630 3.236 3.186 3.301 . 0 0 "[ . 1 . 2]" 1
164 1 35 CYS H 1 41 VAL HA . . 3.540 3.613 3.590 3.633 0.093 14 0 "[ . 1 . 2]" 1
165 1 35 CYS H 1 42 LEU H . . 5.040 4.662 4.559 4.741 . 0 0 "[ . 1 . 2]" 1
166 1 35 CYS H 1 42 LEU HG . . 4.430 3.165 2.858 3.265 . 0 0 "[ . 1 . 2]" 1
167 1 35 CYS HA 1 36 LYS H . . 3.350 2.208 2.187 2.228 . 0 0 "[ . 1 . 2]" 1
168 1 35 CYS HA 1 37 VAL H . . 4.500 3.923 3.796 4.046 . 0 0 "[ . 1 . 2]" 1
169 1 35 CYS QB 1 36 LYS H . . 5.500 3.943 3.921 3.959 . 0 0 "[ . 1 . 2]" 1
170 1 35 CYS QB 1 37 VAL H . . 5.240 4.463 4.305 4.565 . 0 0 "[ . 1 . 2]" 1
171 1 35 CYS QB 1 38 CYS H . . 3.860 3.487 3.469 3.510 . 0 0 "[ . 1 . 2]" 1
172 1 35 CYS QB 1 38 CYS HB2 . . 3.370 2.762 2.623 2.839 . 0 0 "[ . 1 . 2]" 1
173 1 35 CYS QB 1 40 ALA H . . 3.710 3.277 3.206 3.311 . 0 0 "[ . 1 . 2]" 1
174 1 35 CYS QB 1 51 HIS HD2 . . 3.690 3.288 3.130 3.311 . 0 0 "[ . 1 . 2]" 1
175 1 36 LYS H 1 36 LYS HG2 . . 4.580 3.509 3.332 4.424 . 0 0 "[ . 1 . 2]" 1
176 1 36 LYS H 1 36 LYS HG3 . . 4.090 2.489 2.288 4.218 0.128 20 0 "[ . 1 . 2]" 1
177 1 36 LYS H 1 37 VAL H . . 3.680 2.617 2.521 2.690 . 0 0 "[ . 1 . 2]" 1
178 1 36 LYS HA 1 36 LYS HD2 . . 4.300 4.553 3.892 4.640 0.340 7 0 "[ . 1 . 2]" 1
179 1 36 LYS HA 1 36 LYS HG2 . . 3.430 2.576 2.382 3.463 0.033 14 0 "[ . 1 . 2]" 1
180 1 36 LYS HA 1 36 LYS HG3 . . 4.160 3.127 2.315 3.314 . 0 0 "[ . 1 . 2]" 1
181 1 36 LYS HA 1 39 SER H . . 4.150 3.110 2.970 3.216 . 0 0 "[ . 1 . 2]" 1
182 1 36 LYS HA 1 39 SER HA . . 2.530 2.638 2.614 2.679 0.149 19 0 "[ . 1 . 2]" 1
183 1 36 LYS HE2 1 36 LYS HG2 . . 3.150 2.973 2.515 3.738 0.588 7 3 "[ - + 1 * . 2]" 1
184 1 36 LYS HE2 1 36 LYS HG3 . . 3.180 3.082 2.474 3.857 0.677 7 3 "[ * + 1 - . 2]" 1
185 1 37 VAL H 1 37 VAL HB . . 3.280 2.501 2.303 2.704 . 0 0 "[ . 1 . 2]" 1
186 1 37 VAL H 1 38 CYS H . . 3.580 2.745 2.560 2.847 . 0 0 "[ . 1 . 2]" 1
187 1 37 VAL HB 1 38 CYS H . . 3.610 2.781 2.569 3.047 . 0 0 "[ . 1 . 2]" 1
188 1 38 CYS H 1 38 CYS HB2 . . 3.830 2.396 2.353 2.429 . 0 0 "[ . 1 . 2]" 1
189 1 38 CYS H 1 38 CYS HB3 . . 3.500 3.582 3.554 3.610 0.110 2 0 "[ . 1 . 2]" 1
190 1 38 CYS H 1 39 SER H . . 3.590 2.422 2.325 2.490 . 0 0 "[ . 1 . 2]" 1
191 1 38 CYS H 1 40 ALA H . . 4.220 4.090 3.962 4.150 . 0 0 "[ . 1 . 2]" 1
192 1 38 CYS HA 1 51 HIS HE1 . . 4.800 4.852 4.822 4.895 0.095 1 0 "[ . 1 . 2]" 1
193 1 38 CYS HA 1 60 LYS HD2 . . 3.860 3.332 2.322 4.241 0.381 18 0 "[ . 1 . 2]" 1
194 1 38 CYS HA 1 60 LYS HD3 . . 4.390 3.359 2.134 5.111 0.721 15 1 "[ . 1 + 2]" 1
195 1 38 CYS HA 1 60 LYS QE . . 3.950 2.850 2.018 3.614 . 0 0 "[ . 1 . 2]" 1
196 1 38 CYS HA 1 60 LYS HG3 . . 5.290 4.724 2.745 5.699 0.409 7 0 "[ . 1 . 2]" 1
197 1 38 CYS HB2 1 51 HIS HE1 . . 3.810 2.654 2.583 2.745 . 0 0 "[ . 1 . 2]" 1
198 1 38 CYS HB3 1 51 HIS HE1 . . 3.700 2.455 2.394 2.502 . 0 0 "[ . 1 . 2]" 1
199 1 39 SER H 1 39 SER HB2 . . 3.970 3.405 2.728 3.883 . 0 0 "[ . 1 . 2]" 1
200 1 39 SER HA 1 40 ALA H . . 2.390 2.477 2.454 2.494 0.104 5 0 "[ . 1 . 2]" 1
201 1 39 SER HB2 1 40 ALA H . . 5.110 4.461 4.382 4.607 . 0 0 "[ . 1 . 2]" 1
202 1 40 ALA HA 1 41 VAL H . . 2.950 2.176 2.155 2.201 . 0 0 "[ . 1 . 2]" 1
203 1 41 VAL H 1 41 VAL HB . . 3.430 2.496 2.423 2.664 . 0 0 "[ . 1 . 2]" 1
204 1 41 VAL HA 1 42 LEU H . . 2.390 2.209 2.187 2.231 . 0 0 "[ . 1 . 2]" 1
205 1 42 LEU H 1 42 LEU HB2 . . 3.670 2.626 2.608 2.667 . 0 0 "[ . 1 . 2]" 1
206 1 42 LEU H 1 42 LEU HG . . 5.000 2.855 2.750 2.960 . 0 0 "[ . 1 . 2]" 1
207 1 42 LEU HA 1 43 ILE H . . 2.920 2.340 2.290 2.447 . 0 0 "[ . 1 . 2]" 1
208 1 42 LEU HA 1 44 SER H . . 4.440 3.585 3.453 3.691 . 0 0 "[ . 1 . 2]" 1
209 1 42 LEU HA 1 47 GLN QB . . 3.830 2.747 2.551 3.126 . 0 0 "[ . 1 . 2]" 1
210 1 42 LEU HB2 1 48 LYS HB2 . . 5.290 3.405 3.207 3.659 . 0 0 "[ . 1 . 2]" 1
211 1 42 LEU HB3 1 47 GLN QB . . 5.020 3.187 2.859 3.445 . 0 0 "[ . 1 . 2]" 1
212 1 42 LEU HB3 1 48 LYS H . . 5.500 3.203 3.089 3.316 . 0 0 "[ . 1 . 2]" 1
213 1 42 LEU HB3 1 48 LYS HA . . 4.350 2.746 2.603 2.994 . 0 0 "[ . 1 . 2]" 1
214 1 43 ILE H 1 43 ILE HG13 . . 3.500 3.305 2.074 3.838 0.338 1 0 "[ . 1 . 2]" 1
215 1 43 ILE H 1 44 SER H . . 3.310 3.077 2.926 3.126 . 0 0 "[ . 1 . 2]" 1
216 1 43 ILE H 1 47 GLN QB . . 4.150 3.596 3.350 3.749 . 0 0 "[ . 1 . 2]" 1
217 1 43 ILE HA 1 43 ILE HG13 . . 4.040 3.796 3.719 4.256 0.216 11 0 "[ . 1 . 2]" 1
218 1 43 ILE HG13 1 44 SER H . . 4.590 3.248 2.817 4.704 0.114 1 0 "[ . 1 . 2]" 1
219 1 44 SER H 1 47 GLN QB . . 3.350 2.477 2.263 2.662 . 0 0 "[ . 1 . 2]" 1
220 1 44 SER HB2 1 47 GLN QB . . 5.210 4.189 2.785 4.977 . 0 0 "[ . 1 . 2]" 1
221 1 44 SER HB3 1 47 GLN H . . 3.740 3.061 2.620 3.973 0.233 15 0 "[ . 1 . 2]" 1
222 1 44 SER HB3 1 47 GLN QB . . 5.070 3.755 2.254 5.201 0.131 15 0 "[ . 1 . 2]" 1
223 1 44 SER HB3 1 48 LYS H . . 5.100 4.853 4.284 5.586 0.486 15 0 "[ . 1 . 2]" 1
224 1 45 GLU HA 1 45 GLU HG2 . . 3.630 3.330 3.070 3.374 . 0 0 "[ . 1 . 2]" 1
225 1 45 GLU HA 1 45 GLU HG3 . . 3.810 2.376 2.285 2.502 . 0 0 "[ . 1 . 2]" 1
226 1 45 GLU HA 1 48 LYS HB3 . . 3.880 2.549 2.372 2.731 . 0 0 "[ . 1 . 2]" 1
227 1 45 GLU HA 1 48 LYS HD3 . . 4.200 2.262 2.195 2.514 . 0 0 "[ . 1 . 2]" 1
228 1 45 GLU HA 1 48 LYS HE2 . . 3.870 3.625 3.550 3.669 . 0 0 "[ . 1 . 2]" 1
229 1 45 GLU HA 1 48 LYS HE3 . . 4.600 4.840 4.800 4.898 0.298 5 0 "[ . 1 . 2]" 1
230 1 45 GLU HA 1 48 LYS HG3 . . 5.300 4.267 4.176 4.395 . 0 0 "[ . 1 . 2]" 1
231 1 45 GLU HA 1 49 LEU H . . 4.520 3.751 3.680 3.839 . 0 0 "[ . 1 . 2]" 1
232 1 45 GLU HB2 1 45 GLU HG2 . . 3.000 3.029 3.022 3.045 0.045 5 0 "[ . 1 . 2]" 1
233 1 45 GLU HB3 1 45 GLU HG2 . . 2.940 2.372 2.353 2.486 . 0 0 "[ . 1 . 2]" 1
234 1 45 GLU HB3 1 46 SER H . . 5.180 2.907 2.695 2.975 . 0 0 "[ . 1 . 2]" 1
235 1 45 GLU HG3 1 48 LYS HE2 . . 3.970 2.209 2.032 2.437 . 0 0 "[ . 1 . 2]" 1
236 1 45 GLU HG3 1 48 LYS HE3 . . 4.600 3.922 3.788 4.204 . 0 0 "[ . 1 . 2]" 1
237 1 45 GLU HG3 1 49 LEU HB2 . . 4.990 4.820 4.594 5.379 0.389 5 0 "[ . 1 . 2]" 1
238 1 45 GLU HG3 1 49 LEU HG . . 4.250 2.692 2.504 3.181 . 0 0 "[ . 1 . 2]" 1
239 1 46 SER HA 1 46 SER HB3 . . 2.840 2.388 2.286 2.429 . 0 0 "[ . 1 . 2]" 1
240 1 46 SER HA 1 49 LEU H . . 3.740 3.584 3.508 3.649 . 0 0 "[ . 1 . 2]" 1
241 1 46 SER HA 1 49 LEU HB2 . . 3.750 2.691 2.577 2.741 . 0 0 "[ . 1 . 2]" 1
242 1 46 SER HA 1 49 LEU HB3 . . 4.600 4.315 4.181 4.380 . 0 0 "[ . 1 . 2]" 1
243 1 46 SER HA 1 49 LEU HG . . 5.290 3.935 3.670 4.155 . 0 0 "[ . 1 . 2]" 1
244 1 46 SER HB3 1 49 LEU HB2 . . 5.280 4.957 4.580 5.143 . 0 0 "[ . 1 . 2]" 1
245 1 47 GLN H 1 47 GLN QB . . 3.410 2.369 2.133 2.621 . 0 0 "[ . 1 . 2]" 1
246 1 47 GLN H 1 47 GLN HE21 . . 4.520 3.765 2.753 4.752 0.232 8 0 "[ . 1 . 2]" 1
247 1 47 GLN H 1 47 GLN HG2 . . 4.260 3.573 2.209 4.471 0.211 12 0 "[ . 1 . 2]" 1
248 1 47 GLN H 1 47 GLN HG3 . . 4.700 3.819 2.394 4.421 . 0 0 "[ . 1 . 2]" 1
249 1 47 GLN H 1 48 LYS H . . 3.080 2.615 2.542 2.686 . 0 0 "[ . 1 . 2]" 1
250 1 47 GLN HA 1 47 GLN HG2 . . 4.030 3.473 2.620 3.741 . 0 0 "[ . 1 . 2]" 1
251 1 47 GLN HA 1 47 GLN HG3 . . 3.620 2.968 2.337 3.821 0.201 7 0 "[ . 1 . 2]" 1
252 1 47 GLN HA 1 48 LYS H . . 3.850 3.594 3.576 3.604 . 0 0 "[ . 1 . 2]" 1
253 1 47 GLN HA 1 49 LEU H . . 4.840 4.628 4.568 4.697 . 0 0 "[ . 1 . 2]" 1
254 1 47 GLN HA 1 50 ALA H . . 3.740 3.543 3.400 3.696 . 0 0 "[ . 1 . 2]" 1
255 1 47 GLN HA 1 51 HIS H . . 4.520 3.860 3.799 3.932 . 0 0 "[ . 1 . 2]" 1
256 1 47 GLN QB 1 48 LYS H . . 3.460 2.621 2.501 2.759 . 0 0 "[ . 1 . 2]" 1
257 1 48 LYS H 1 48 LYS HB2 . . 3.170 3.365 3.333 3.398 0.228 17 0 "[ . 1 . 2]" 1
258 1 48 LYS H 1 48 LYS HB3 . . 3.140 2.094 2.067 2.110 . 0 0 "[ . 1 . 2]" 1
259 1 48 LYS H 1 48 LYS HG2 . . 3.990 3.473 3.411 3.529 . 0 0 "[ . 1 . 2]" 1
260 1 48 LYS H 1 49 LEU H . . 3.200 2.777 2.739 2.799 . 0 0 "[ . 1 . 2]" 1
261 1 48 LYS HA 1 51 HIS H . . 3.580 3.587 3.543 3.626 0.046 7 0 "[ . 1 . 2]" 1
262 1 48 LYS HA 1 51 HIS HB2 . . 4.530 3.779 3.706 3.864 . 0 0 "[ . 1 . 2]" 1
263 1 48 LYS HA 1 51 HIS HB3 . . 4.130 2.828 2.726 2.938 . 0 0 "[ . 1 . 2]" 1
264 1 48 LYS HA 1 52 TYR H . . 4.520 3.773 3.636 3.890 . 0 0 "[ . 1 . 2]" 1
265 1 48 LYS HB2 1 48 LYS HD3 . . 3.870 3.156 3.022 3.197 . 0 0 "[ . 1 . 2]" 1
266 1 48 LYS HB3 1 48 LYS HD3 . . 3.430 2.510 2.443 2.590 . 0 0 "[ . 1 . 2]" 1
267 1 48 LYS HB3 1 49 LEU H . . 3.560 3.360 3.332 3.383 . 0 0 "[ . 1 . 2]" 1
268 1 48 LYS HE3 1 48 LYS HG3 . . 4.170 2.551 2.413 2.636 . 0 0 "[ . 1 . 2]" 1
269 1 48 LYS HG2 1 49 LEU H . . 3.720 2.296 2.257 2.398 . 0 0 "[ . 1 . 2]" 1
270 1 48 LYS HG3 1 49 LEU H . . 4.910 3.424 3.349 3.491 . 0 0 "[ . 1 . 2]" 1
271 1 49 LEU H 1 49 LEU HB3 . . 3.910 3.594 3.574 3.622 . 0 0 "[ . 1 . 2]" 1
272 1 49 LEU H 1 50 ALA H . . 3.080 2.854 2.808 2.927 . 0 0 "[ . 1 . 2]" 1
273 1 49 LEU HA 1 50 ALA H . . 3.850 3.608 3.591 3.625 . 0 0 "[ . 1 . 2]" 1
274 1 49 LEU HB2 1 50 ALA H . . 3.220 2.707 2.515 2.840 . 0 0 "[ . 1 . 2]" 1
275 1 50 ALA H 1 51 HIS H . . 3.080 2.753 2.688 2.867 . 0 0 "[ . 1 . 2]" 1
276 1 50 ALA HA 1 51 HIS H . . 3.850 3.605 3.587 3.620 . 0 0 "[ . 1 . 2]" 1
277 1 50 ALA HA 1 52 TYR H . . 4.840 4.871 4.854 4.892 0.052 14 0 "[ . 1 . 2]" 1
278 1 50 ALA HA 1 53 GLN H . . 3.740 3.738 3.627 3.782 0.042 19 0 "[ . 1 . 2]" 1
279 1 50 ALA HA 1 53 GLN HB2 . . 4.050 3.101 2.493 3.928 . 0 0 "[ . 1 . 2]" 1
280 1 50 ALA HA 1 53 GLN HB3 . . 4.240 4.605 2.926 4.838 0.598 13 8 "[* **.* 1- + * *2]" 1
281 1 50 ALA HA 1 53 GLN HG3 . . 5.050 4.665 4.482 4.727 . 0 0 "[ . 1 . 2]" 1
282 1 50 ALA HA 1 54 SER H . . 4.520 4.539 4.201 4.589 0.069 12 0 "[ . 1 . 2]" 1
283 1 51 HIS H 1 51 HIS HB2 . . 3.510 2.438 2.407 2.484 . 0 0 "[ . 1 . 2]" 1
284 1 51 HIS H 1 51 HIS HB3 . . 3.450 2.548 2.486 2.574 . 0 0 "[ . 1 . 2]" 1
285 1 51 HIS H 1 52 TYR H . . 3.080 2.880 2.822 2.939 . 0 0 "[ . 1 . 2]" 1
286 1 51 HIS HA 1 52 TYR H . . 3.850 3.639 3.625 3.647 . 0 0 "[ . 1 . 2]" 1
287 1 51 HIS HA 1 54 SER H . . 3.740 3.595 3.424 3.811 0.071 18 0 "[ . 1 . 2]" 1
288 1 51 HIS HA 1 54 SER QB . . 4.240 2.870 2.616 3.514 . 0 0 "[ . 1 . 2]" 1
289 1 51 HIS HB2 1 52 TYR H . . 4.020 3.837 3.815 3.873 . 0 0 "[ . 1 . 2]" 1
290 1 51 HIS HB3 1 51 HIS HD2 . . 3.720 2.849 2.772 2.889 . 0 0 "[ . 1 . 2]" 1
291 1 51 HIS HB3 1 52 TYR H . . 3.590 2.474 2.450 2.503 . 0 0 "[ . 1 . 2]" 1
292 1 51 HIS HD2 1 52 TYR H . . 4.520 3.512 3.310 3.591 . 0 0 "[ . 1 . 2]" 1
293 1 52 TYR H 1 52 TYR HB2 . . 3.470 2.415 2.373 2.444 . 0 0 "[ . 1 . 2]" 1
294 1 52 TYR H 1 52 TYR HB3 . . 3.850 3.607 3.594 3.617 . 0 0 "[ . 1 . 2]" 1
295 1 52 TYR H 1 53 GLN H . . 3.080 2.777 2.664 2.832 . 0 0 "[ . 1 . 2]" 1
296 1 52 TYR HA 1 53 GLN H . . 3.850 3.496 3.425 3.568 . 0 0 "[ . 1 . 2]" 1
297 1 52 TYR HA 1 54 SER H . . 4.840 3.995 3.887 4.189 . 0 0 "[ . 1 . 2]" 1
298 1 52 TYR HA 1 57 HIS HB3 . . 5.020 3.733 3.386 4.012 . 0 0 "[ . 1 . 2]" 1
299 1 52 TYR HA 1 57 HIS HD2 . . 4.720 3.417 3.221 3.753 . 0 0 "[ . 1 . 2]" 1
300 1 52 TYR HB2 1 53 GLN H . . 3.490 3.257 3.011 3.393 . 0 0 "[ . 1 . 2]" 1
301 1 52 TYR HB3 1 53 GLN H . . 5.110 4.008 3.854 4.129 . 0 0 "[ . 1 . 2]" 1
302 1 53 GLN H 1 53 GLN HB2 . . 3.500 2.428 2.246 2.510 . 0 0 "[ . 1 . 2]" 1
303 1 53 GLN H 1 53 GLN HB3 . . 3.710 3.598 2.554 3.711 0.001 12 0 "[ . 1 . 2]" 1
304 1 53 GLN HA 1 53 GLN HG2 . . 3.610 2.511 2.456 2.600 . 0 0 "[ . 1 . 2]" 1
305 1 53 GLN HA 1 53 GLN HG3 . . 3.460 3.032 2.533 3.691 0.231 7 0 "[ . 1 . 2]" 1
306 1 53 GLN HB2 1 54 SER H . . 4.020 3.468 3.208 4.001 . 0 0 "[ . 1 . 2]" 1
307 1 53 GLN HB3 1 53 GLN HG3 . . 3.010 3.019 2.519 3.055 0.045 16 0 "[ . 1 . 2]" 1
308 1 53 GLN HB3 1 54 SER H . . 5.150 4.110 2.991 4.309 . 0 0 "[ . 1 . 2]" 1
309 1 54 SER H 1 54 SER QB . . 3.320 2.260 2.236 2.363 . 0 0 "[ . 1 . 2]" 1
310 1 54 SER QB 1 56 LYS HB2 . . 4.630 4.014 3.067 4.863 0.233 17 0 "[ . 1 . 2]" 1
311 1 55 ARG HA 1 55 ARG HD3 . . 3.810 2.756 2.117 4.409 0.599 6 1 "[ .+ 1 . 2]" 1
312 1 55 ARG HA 1 55 ARG HG2 . . 3.290 3.213 2.320 3.849 0.559 8 5 "[ *. + * . *-]" 1
313 1 55 ARG HA 1 58 ALA H . . 3.740 3.369 3.127 3.555 . 0 0 "[ . 1 . 2]" 1
314 1 55 ARG HA 1 59 ASN H . . 4.620 4.093 3.768 4.613 . 0 0 "[ . 1 . 2]" 1
315 1 55 ARG HD3 1 55 ARG HG2 . . 2.790 2.628 2.398 3.043 0.253 13 0 "[ . 1 . 2]" 1
316 1 56 LYS HA 1 56 LYS HB2 . . 2.790 2.812 2.477 3.056 0.266 11 0 "[ . 1 . 2]" 1
317 1 56 LYS HA 1 56 LYS HD2 . . 3.270 2.897 2.235 3.857 0.587 5 3 "[ + - . * 2]" 1
318 1 56 LYS HA 1 56 LYS HG2 . . 4.110 3.517 2.578 3.832 . 0 0 "[ . 1 . 2]" 1
319 1 56 LYS HA 1 56 LYS HG3 . . 3.620 3.363 2.478 3.844 0.224 12 0 "[ . 1 . 2]" 1
320 1 56 LYS HA 1 58 ALA H . . 4.840 4.630 4.432 4.747 . 0 0 "[ . 1 . 2]" 1
321 1 56 LYS HA 1 59 ASN H . . 3.740 3.551 3.299 3.710 . 0 0 "[ . 1 . 2]" 1
322 1 56 LYS HA 1 59 ASN HB2 . . 3.720 3.376 2.673 4.143 0.423 11 0 "[ . 1 . 2]" 1
323 1 56 LYS HB2 1 56 LYS HG3 . . 3.030 2.771 2.389 3.057 0.027 15 0 "[ . 1 . 2]" 1
324 1 56 LYS HB2 1 57 HIS H . . 3.320 3.214 2.555 3.984 0.664 17 7 "[ * - * * . +**2]" 1
325 1 57 HIS H 1 57 HIS HB2 . . 3.580 2.666 2.488 2.788 . 0 0 "[ . 1 . 2]" 1
326 1 57 HIS H 1 58 ALA H . . 3.080 2.751 2.540 2.876 . 0 0 "[ . 1 . 2]" 1
327 1 57 HIS HA 1 57 HIS HB3 . . 2.960 3.039 3.032 3.046 0.086 18 0 "[ . 1 . 2]" 1
328 1 57 HIS HA 1 58 ALA H . . 3.850 3.612 3.593 3.620 . 0 0 "[ . 1 . 2]" 1
329 1 57 HIS HA 1 60 LYS H . . 3.740 3.561 3.435 3.683 . 0 0 "[ . 1 . 2]" 1
330 1 57 HIS HB2 1 58 ALA H . . 3.860 3.955 3.919 4.064 0.204 12 0 "[ . 1 . 2]" 1
331 1 57 HIS HB3 1 58 ALA H . . 4.290 2.590 2.518 2.755 . 0 0 "[ . 1 . 2]" 1
332 1 57 HIS HD2 1 61 VAL H . . 5.270 5.301 5.282 5.320 0.050 7 0 "[ . 1 . 2]" 1
333 1 58 ALA H 1 59 ASN H . . 3.080 2.874 2.820 2.986 . 0 0 "[ . 1 . 2]" 1
334 1 58 ALA HA 1 59 ASN H . . 3.850 3.605 3.582 3.637 . 0 0 "[ . 1 . 2]" 1
335 1 58 ALA HA 1 60 LYS H . . 4.840 4.627 4.330 4.785 . 0 0 "[ . 1 . 2]" 1
336 1 58 ALA HA 1 61 VAL H . . 3.740 3.541 3.324 3.769 0.029 16 0 "[ . 1 . 2]" 1
337 1 58 ALA HA 1 61 VAL HB . . 3.860 2.629 2.420 2.920 . 0 0 "[ . 1 . 2]" 1
338 1 58 ALA HA 1 62 ARG H . . 4.620 3.992 3.853 4.108 . 0 0 "[ . 1 . 2]" 1
339 1 59 ASN H 1 59 ASN HB2 . . 3.460 2.424 2.231 2.555 . 0 0 "[ . 1 . 2]" 1
340 1 59 ASN H 1 59 ASN HB3 . . 3.680 2.873 2.459 3.567 . 0 0 "[ . 1 . 2]" 1
341 1 59 ASN H 1 60 LYS H . . 3.080 2.796 2.696 2.862 . 0 0 "[ . 1 . 2]" 1
342 1 59 ASN H 1 61 VAL H . . 4.620 4.231 4.048 4.332 . 0 0 "[ . 1 . 2]" 1
343 1 59 ASN HA 1 60 LYS H . . 3.850 3.614 3.556 3.647 . 0 0 "[ . 1 . 2]" 1
344 1 59 ASN HA 1 62 ARG H . . 3.740 3.501 3.299 3.695 . 0 0 "[ . 1 . 2]" 1
345 1 59 ASN HA 1 62 ARG HB2 . . 3.620 3.215 2.584 4.003 0.383 11 0 "[ . 1 . 2]" 1
346 1 59 ASN HA 1 62 ARG HB3 . . 4.200 3.398 2.496 4.783 0.583 13 1 "[ . 1 + . 2]" 1
347 1 59 ASN HA 1 62 ARG QD . . 4.620 3.709 2.704 4.215 . 0 0 "[ . 1 . 2]" 1
348 1 59 ASN HA 1 63 ARG H . . 4.620 4.209 4.018 4.681 0.061 12 0 "[ . 1 . 2]" 1
349 1 59 ASN HB2 1 60 LYS H . . 3.920 3.554 2.761 4.070 0.150 12 0 "[ . 1 . 2]" 1
350 1 59 ASN HB3 1 60 LYS H . . 4.340 2.909 2.548 3.583 . 0 0 "[ . 1 . 2]" 1
351 1 60 LYS H 1 60 LYS HB2 . . 3.470 2.300 2.097 2.513 . 0 0 "[ . 1 . 2]" 1
352 1 60 LYS H 1 60 LYS HB3 . . 3.530 3.266 2.720 3.668 0.138 18 0 "[ . 1 . 2]" 1
353 1 60 LYS H 1 60 LYS HG3 . . 4.200 3.509 2.463 4.410 0.210 3 0 "[ . 1 . 2]" 1
354 1 60 LYS H 1 61 VAL H . . 3.080 2.750 2.526 2.840 . 0 0 "[ . 1 . 2]" 1
355 1 60 LYS H 1 62 ARG H . . 4.620 4.266 3.915 4.431 . 0 0 "[ . 1 . 2]" 1
356 1 60 LYS HA 1 60 LYS HG3 . . 3.870 2.965 2.241 3.708 . 0 0 "[ . 1 . 2]" 1
357 1 60 LYS HA 1 61 VAL H . . 3.850 3.581 3.565 3.593 . 0 0 "[ . 1 . 2]" 1
358 1 60 LYS HA 1 63 ARG H . . 3.740 3.472 3.255 3.722 . 0 0 "[ . 1 . 2]" 1
359 1 60 LYS HA 1 64 TYR H . . 4.620 3.992 3.831 4.650 0.030 12 0 "[ . 1 . 2]" 1
360 1 60 LYS HB2 1 60 LYS QE . . 4.540 3.573 2.170 4.419 . 0 0 "[ . 1 . 2]" 1
361 1 60 LYS HB3 1 60 LYS HG2 . . 2.810 2.664 2.429 3.058 0.248 15 0 "[ . 1 . 2]" 1
362 1 60 LYS HB3 1 60 LYS HG3 . . 2.870 2.898 2.470 3.053 0.183 20 0 "[ . 1 . 2]" 1
363 1 60 LYS HB3 1 61 VAL H . . 4.030 3.180 2.665 3.814 . 0 0 "[ . 1 . 2]" 1
364 1 61 VAL H 1 61 VAL HB . . 3.250 2.414 2.364 2.480 . 0 0 "[ . 1 . 2]" 1
365 1 61 VAL H 1 62 ARG H . . 3.080 2.790 2.719 2.856 . 0 0 "[ . 1 . 2]" 1
366 1 61 VAL H 1 63 ARG H . . 4.620 4.272 4.164 4.367 . 0 0 "[ . 1 . 2]" 1
367 1 61 VAL HA 1 62 ARG H . . 3.850 3.613 3.582 3.639 . 0 0 "[ . 1 . 2]" 1
368 1 61 VAL HA 1 64 TYR H . . 3.740 3.383 3.251 3.484 . 0 0 "[ . 1 . 2]" 1
369 1 61 VAL HA 1 64 TYR HB2 . . 4.010 3.526 3.172 3.872 . 0 0 "[ . 1 . 2]" 1
370 1 61 VAL HA 1 64 TYR HB3 . . 3.330 2.434 2.272 2.638 . 0 0 "[ . 1 . 2]" 1
371 1 61 VAL HA 1 65 MET H . . 4.620 3.786 3.693 3.971 . 0 0 "[ . 1 . 2]" 1
372 1 62 ARG H 1 62 ARG HB2 . . 2.790 2.415 2.137 2.794 0.004 11 0 "[ . 1 . 2]" 1
373 1 62 ARG H 1 62 ARG HB3 . . 3.030 2.960 2.160 3.633 0.603 13 6 "[ . * 1 *+ .-* *]" 1
374 1 62 ARG H 1 62 ARG QD . . 5.410 4.101 2.621 4.631 . 0 0 "[ . 1 . 2]" 1
375 1 62 ARG H 1 63 ARG H . . 3.080 2.804 2.704 2.862 . 0 0 "[ . 1 . 2]" 1
376 1 62 ARG HA 1 62 ARG HB2 . . 2.920 2.687 2.284 3.040 0.120 12 0 "[ . 1 . 2]" 1
377 1 62 ARG HA 1 62 ARG QD . . 4.330 3.754 2.346 4.064 . 0 0 "[ . 1 . 2]" 1
378 1 62 ARG HA 1 62 ARG HG3 . . 3.510 2.665 2.342 3.774 0.264 12 0 "[ . 1 . 2]" 1
379 1 62 ARG HA 1 63 ARG H . . 3.850 3.571 3.533 3.593 . 0 0 "[ . 1 . 2]" 1
380 1 62 ARG HA 1 64 TYR H . . 4.840 4.665 4.472 4.778 . 0 0 "[ . 1 . 2]" 1
381 1 62 ARG HA 1 65 MET H . . 3.740 3.611 3.365 3.743 0.003 14 0 "[ . 1 . 2]" 1
382 1 62 ARG HA 1 65 MET HB2 . . 3.100 2.724 2.385 2.826 . 0 0 "[ . 1 . 2]" 1
383 1 62 ARG HA 1 66 ALA H . . 4.620 4.353 3.721 4.667 0.047 13 0 "[ . 1 . 2]" 1
384 1 62 ARG HB2 1 62 ARG QD . . 3.370 2.478 2.219 3.294 . 0 0 "[ . 1 . 2]" 1
385 1 63 ARG H 1 63 ARG HB2 . . 2.940 2.495 2.154 2.747 . 0 0 "[ . 1 . 2]" 1
386 1 63 ARG H 1 63 ARG HB3 . . 3.630 2.999 2.299 3.696 0.066 14 0 "[ . 1 . 2]" 1
387 1 63 ARG H 1 64 TYR H . . 3.080 2.735 2.673 2.851 . 0 0 "[ . 1 . 2]" 1
388 1 63 ARG HA 1 63 ARG HB2 . . 2.960 2.737 2.358 3.059 0.099 2 0 "[ . 1 . 2]" 1
389 1 63 ARG HA 1 66 ALA H . . 3.740 3.589 3.386 3.745 0.005 13 0 "[ . 1 . 2]" 1
390 1 63 ARG HB2 1 64 TYR H . . 3.620 3.311 2.409 4.005 0.385 9 0 "[ . 1 . 2]" 1
391 1 64 TYR H 1 64 TYR HB2 . . 3.330 2.504 2.367 2.663 . 0 0 "[ . 1 . 2]" 1
392 1 64 TYR H 1 64 TYR HB3 . . 3.350 2.440 2.320 2.636 . 0 0 "[ . 1 . 2]" 1
393 1 64 TYR H 1 65 MET H . . 3.080 2.828 2.699 2.894 . 0 0 "[ . 1 . 2]" 1
394 1 64 TYR HA 1 65 MET H . . 3.850 3.602 3.587 3.616 . 0 0 "[ . 1 . 2]" 1
395 1 64 TYR HA 1 67 ILE HB . . 4.600 3.020 2.410 3.794 . 0 0 "[ . 1 . 2]" 1
396 1 64 TYR HA 1 67 ILE HG12 . . 4.700 4.403 2.400 5.300 0.600 5 1 "[ + 1 . 2]" 1
397 1 64 TYR HA 1 67 ILE HG13 . . 4.330 3.591 2.535 4.028 . 0 0 "[ . 1 . 2]" 1
398 1 64 TYR HB2 1 65 MET H . . 4.340 3.967 3.836 4.074 . 0 0 "[ . 1 . 2]" 1
399 1 64 TYR HB3 1 65 MET H . . 4.150 2.660 2.569 2.761 . 0 0 "[ . 1 . 2]" 1
400 1 65 MET H 1 65 MET HB2 . . 3.390 2.351 2.315 2.405 . 0 0 "[ . 1 . 2]" 1
401 1 65 MET H 1 65 MET HG3 . . 3.620 3.672 3.625 3.767 0.147 16 0 "[ . 1 . 2]" 1
402 1 65 MET H 1 66 ALA H . . 3.080 2.783 2.694 2.833 . 0 0 "[ . 1 . 2]" 1
403 1 65 MET H 1 67 ILE H . . 4.620 4.230 4.159 4.329 . 0 0 "[ . 1 . 2]" 1
404 1 65 MET HA 1 65 MET HG2 . . 4.240 2.804 2.729 2.994 . 0 0 "[ . 1 . 2]" 1
405 1 65 MET HA 1 65 MET HG3 . . 3.660 3.683 3.644 3.768 0.108 12 0 "[ . 1 . 2]" 1
406 1 65 MET HA 1 68 ASN H . . 3.740 3.551 3.103 3.841 0.101 19 0 "[ . 1 . 2]" 1
407 1 65 MET HB2 1 66 ALA H . . 3.900 2.918 2.577 3.224 . 0 0 "[ . 1 . 2]" 1
408 1 66 ALA H 1 67 ILE H . . 3.080 2.688 2.489 2.918 . 0 0 "[ . 1 . 2]" 1
409 1 66 ALA H 1 68 ASN H . . 4.790 4.271 3.997 4.555 . 0 0 "[ . 1 . 2]" 1
410 1 66 ALA HA 1 68 ASN H . . 5.500 4.367 3.842 5.059 . 0 0 "[ . 1 . 2]" 1
411 1 67 ILE H 1 67 ILE HB . . 3.610 2.481 2.301 2.726 . 0 0 "[ . 1 . 2]" 1
412 1 67 ILE H 1 67 ILE HG13 . . 3.960 2.733 2.102 3.907 . 0 0 "[ . 1 . 2]" 1
413 1 67 ILE H 1 68 ASN H . . 3.080 2.465 1.900 2.907 . 0 0 "[ . 1 . 2]" 1
414 1 67 ILE HA 1 67 ILE HG12 . . 3.990 2.742 2.514 3.474 . 0 0 "[ . 1 . 2]" 1
415 1 67 ILE HA 1 67 ILE HG13 . . 3.940 3.077 2.654 3.960 0.020 16 0 "[ . 1 . 2]" 1
416 1 67 ILE HA 1 68 ASN H . . 3.850 3.536 3.253 3.639 . 0 0 "[ . 1 . 2]" 1
417 1 67 ILE HB 1 68 ASN H . . 5.000 2.892 2.392 3.848 . 0 0 "[ . 1 . 2]" 1
418 1 68 ASN H 1 68 ASN HB3 . . 3.840 2.801 2.355 3.597 . 0 0 "[ . 1 . 2]" 1
419 1 69 GLN H 1 69 GLN HG2 . . 4.690 3.887 2.189 5.080 0.390 9 0 "[ . 1 . 2]" 1
420 1 69 GLN HA 1 69 GLN HG2 . . 3.760 3.181 2.413 3.819 0.059 9 0 "[ . 1 . 2]" 1
421 1 69 GLN HB2 1 69 GLN HG3 . . 2.780 2.587 2.378 3.057 0.277 15 0 "[ . 1 . 2]" 1
422 1 71 GLU H 1 72 ASP H . . 4.400 3.649 1.922 4.565 0.165 5 0 "[ . 1 . 2]" 1
423 1 71 GLU HA 1 71 GLU HB2 . . 2.720 2.694 2.410 3.049 0.329 7 0 "[ . 1 . 2]" 1
424 1 71 GLU HA 1 71 GLU HB3 . . 2.660 2.643 2.423 3.049 0.389 1 0 "[ . 1 . 2]" 1
425 1 71 GLU HA 1 71 GLU HG3 . . 3.940 3.268 2.445 4.263 0.323 18 0 "[ . 1 . 2]" 1
426 1 73 SER HA 1 74 VAL H . . 3.510 2.639 2.135 3.517 0.007 3 0 "[ . 1 . 2]" 1
427 1 73 SER HB3 1 74 VAL H . . 4.380 3.674 2.381 4.514 0.134 6 0 "[ . 1 . 2]" 1
428 1 74 VAL H 1 74 VAL HB . . 4.050 3.300 2.449 3.916 . 0 0 "[ . 1 . 2]" 1
429 1 75 PRO HA 1 76 ALA H . . 3.490 3.203 2.160 3.539 0.049 15 0 "[ . 1 . 2]" 1
430 1 76 ALA HA 1 77 LYS H . . 3.630 2.778 2.272 3.466 . 0 0 "[ . 1 . 2]" 1
431 1 77 LYS HA 1 77 LYS HB3 . . 2.890 2.648 2.435 3.060 0.170 2 0 "[ . 1 . 2]" 1
432 1 77 LYS HA 1 77 LYS HD2 . . 4.700 3.891 2.242 4.800 0.100 5 0 "[ . 1 . 2]" 1
433 1 77 LYS HA 1 77 LYS HD3 . . 4.770 3.910 2.230 4.944 0.174 9 0 "[ . 1 . 2]" 1
434 1 77 LYS HA 1 77 LYS HG3 . . 3.720 3.205 2.406 3.851 0.131 12 0 "[ . 1 . 2]" 1
435 1 77 LYS HB3 1 78 LYS H . . 5.180 3.497 2.325 4.482 . 0 0 "[ . 1 . 2]" 1
436 1 78 LYS HB2 1 78 LYS HE2 . . 4.580 3.306 2.085 4.746 0.166 6 0 "[ . 1 . 2]" 1
437 1 80 LYS HB3 1 80 LYS HE3 . . 4.770 4.007 2.174 5.521 0.751 17 1 "[ . 1 . + 2]" 1
438 1 81 ALA HA 1 82 ALA H . . 3.400 2.526 2.176 3.402 0.002 17 0 "[ . 1 . 2]" 1
439 1 83 PRO HA 1 84 ALA H . . 3.450 2.441 2.149 3.484 0.034 2 0 "[ . 1 . 2]" 1
440 1 84 ALA HA 1 85 GLU H . . 3.390 2.824 2.187 3.507 0.117 4 0 "[ . 1 . 2]" 1
441 1 85 GLU H 1 85 GLU HB2 . . 4.190 2.759 2.292 3.987 . 0 0 "[ . 1 . 2]" 1
442 1 85 GLU H 1 85 GLU HB3 . . 4.060 3.336 2.581 3.833 . 0 0 "[ . 1 . 2]" 1
443 1 85 GLU H 1 85 GLU HG3 . . 5.490 3.799 2.283 4.805 . 0 0 "[ . 1 . 2]" 1
444 1 85 GLU HA 1 85 GLU HB3 . . 2.860 2.662 2.435 3.058 0.198 18 0 "[ . 1 . 2]" 1
445 1 85 GLU HA 1 86 ILE H . . 3.230 2.732 2.139 3.376 0.146 3 0 "[ . 1 . 2]" 1
446 1 85 GLU HB2 1 86 ILE H . . 4.680 3.840 2.179 4.375 . 0 0 "[ . 1 . 2]" 1
447 1 86 ILE H 1 86 ILE HB . . 3.540 2.677 2.306 3.090 . 0 0 "[ . 1 . 2]" 1
448 1 86 ILE H 1 86 ILE HG13 . . 4.690 3.235 2.135 3.776 . 0 0 "[ . 1 . 2]" 1
449 1 86 ILE HG12 1 91 ASP QB . . 5.270 4.356 2.812 5.899 0.629 7 2 "[- . + 1 . 2]" 1
450 1 90 GLU H 1 90 GLU HB3 . . 4.000 3.178 2.484 3.832 . 0 0 "[ . 1 . 2]" 1
451 1 90 GLU H 1 90 GLU HG3 . . 4.920 3.815 2.223 4.967 0.047 9 0 "[ . 1 . 2]" 1
452 1 90 GLU HA 1 90 GLU HG3 . . 2.780 2.757 2.375 3.605 0.825 9 1 "[ . +1 . 2]" 1
453 1 90 GLU HA 1 91 ASP H . . 3.540 2.956 2.251 3.569 0.029 10 0 "[ . 1 . 2]" 1
454 1 90 GLU HB3 1 91 ASP H . . 4.890 3.778 2.585 4.444 . 0 0 "[ . 1 . 2]" 1
455 1 92 ARG H 1 92 ARG HG2 . . 4.360 3.168 2.068 4.436 0.076 19 0 "[ . 1 . 2]" 1
456 1 92 ARG H 1 93 SER H . . 4.070 2.918 1.957 4.259 0.189 14 0 "[ . 1 . 2]" 1
457 1 92 ARG HA 1 92 ARG HD2 . . 4.530 4.117 2.272 4.767 0.237 19 0 "[ . 1 . 2]" 1
458 1 92 ARG HA 1 92 ARG HD3 . . 4.820 4.081 2.166 4.988 0.168 7 0 "[ . 1 . 2]" 1
459 1 92 ARG HA 1 92 ARG HG3 . . 3.830 3.437 2.474 3.908 0.078 1 0 "[ . 1 . 2]" 1
460 1 92 ARG HD2 1 92 ARG HG2 . . 3.020 2.837 2.334 3.055 0.035 11 0 "[ . 1 . 2]" 1
461 1 92 ARG HG2 1 93 SER H . . 5.500 4.683 3.102 5.465 . 0 0 "[ . 1 . 2]" 1
462 1 93 SER H 1 94 LYS H . . 3.730 2.713 1.810 3.686 . 0 0 "[ . 1 . 2]" 1
463 1 93 SER HA 1 109 ALA HA . . 5.120 5.077 4.826 5.214 0.094 9 0 "[ . 1 . 2]" 1
464 1 94 LYS HA 1 94 LYS HD2 . . 4.360 3.770 2.147 4.670 0.310 14 0 "[ . 1 . 2]" 1
465 1 94 LYS HA 1 94 LYS HG3 . . 3.650 3.261 2.402 3.868 0.218 10 0 "[ . 1 . 2]" 1
466 1 94 LYS HA 1 103 PHE HB2 . . 4.010 2.850 2.429 3.505 . 0 0 "[ . 1 . 2]" 1
467 1 94 LYS HA 1 103 PHE HB3 . . 5.150 4.564 4.130 5.181 0.031 2 0 "[ . 1 . 2]" 1
468 1 94 LYS HB2 1 94 LYS HD3 . . 4.210 3.484 2.261 4.294 0.084 17 0 "[ . 1 . 2]" 1
469 1 94 LYS HB2 1 95 CYS H . . 3.710 3.237 2.862 3.533 . 0 0 "[ . 1 . 2]" 1
470 1 94 LYS HB3 1 94 LYS HD3 . . 3.720 3.195 2.476 3.832 0.112 18 0 "[ . 1 . 2]" 1
471 1 94 LYS HB3 1 94 LYS HE2 . . 5.380 3.873 2.087 4.939 . 0 0 "[ . 1 . 2]" 1
472 1 94 LYS HB3 1 95 CYS H . . 3.960 3.999 3.829 4.075 0.115 7 0 "[ . 1 . 2]" 1
473 1 95 CYS H 1 95 CYS HB3 . . 3.700 3.228 2.746 3.958 0.258 12 0 "[ . 1 . 2]" 1
474 1 95 CYS HA 1 96 CYS H . . 2.390 2.313 2.168 2.414 0.024 11 0 "[ . 1 . 2]" 1
475 1 95 CYS HA 1 102 THR HA . . 2.530 2.038 1.996 2.113 . 0 0 "[ . 1 . 2]" 1
476 1 95 CYS HA 1 102 THR HB . . 4.710 4.022 3.734 4.295 . 0 0 "[ . 1 . 2]" 1
477 1 95 CYS HA 1 103 PHE H . . 3.540 3.420 3.173 3.561 0.021 17 0 "[ . 1 . 2]" 1
478 1 95 CYS HB2 1 102 THR HA . . 4.420 3.783 3.181 4.834 0.414 12 0 "[ . 1 . 2]" 1
479 1 95 CYS HB3 1 102 THR HA . . 4.000 3.901 2.779 4.884 0.884 6 6 "[ .+* *1 * . -* 2]" 1
480 1 96 CYS H 1 96 CYS HB3 . . 3.490 2.710 2.563 2.843 . 0 0 "[ . 1 . 2]" 1
481 1 96 CYS H 1 100 ASN HA . . 5.000 4.639 4.464 4.886 . 0 0 "[ . 1 . 2]" 1
482 1 96 CYS H 1 101 MET H . . 3.630 3.109 2.955 3.282 . 0 0 "[ . 1 . 2]" 1
483 1 96 CYS HB2 1 103 PHE HZ . . 3.650 2.410 2.200 2.827 . 0 0 "[ . 1 . 2]" 1
484 1 96 CYS HB3 1 101 MET H . . 4.470 3.141 2.891 3.379 . 0 0 "[ . 1 . 2]" 1
485 1 96 CYS HB3 1 101 MET HB3 . . 4.940 4.629 4.368 5.182 0.242 6 0 "[ . 1 . 2]" 1
486 1 96 CYS HB3 1 103 PHE HZ . . 5.500 2.807 2.521 3.474 . 0 0 "[ . 1 . 2]" 1
487 1 97 PRO HA 1 100 ASN H . . 3.980 2.962 2.858 3.230 . 0 0 "[ . 1 . 2]" 1
488 1 97 PRO HA 1 100 ASN HA . . 2.530 2.586 2.554 2.627 0.097 7 0 "[ . 1 . 2]" 1
489 1 97 PRO HD2 1 98 VAL H . . 4.070 2.826 2.717 3.054 . 0 0 "[ . 1 . 2]" 1
490 1 98 VAL H 1 98 VAL HB . . 3.400 2.604 2.348 2.851 . 0 0 "[ . 1 . 2]" 1
491 1 98 VAL H 1 99 CYS H . . 3.920 2.670 2.606 2.731 . 0 0 "[ . 1 . 2]" 1
492 1 98 VAL HB 1 99 CYS H . . 3.680 2.812 2.534 3.133 . 0 0 "[ . 1 . 2]" 1
493 1 98 VAL HB 1 118 HIS HE1 . . 4.450 2.539 2.285 3.246 . 0 0 "[ . 1 . 2]" 1
494 1 99 CYS H 1 99 CYS HB2 . . 3.900 2.473 2.373 2.568 . 0 0 "[ . 1 . 2]" 1
495 1 99 CYS H 1 100 ASN H . . 3.370 2.074 1.848 2.457 . 0 0 "[ . 1 . 2]" 1
496 1 99 CYS HB2 1 112 HIS HE1 . . 5.230 4.027 3.499 4.868 . 0 0 "[ . 1 . 2]" 1
497 1 99 CYS HB3 1 100 ASN H . . 3.910 4.075 4.020 4.143 0.233 19 0 "[ . 1 . 2]" 1
498 1 99 CYS HB3 1 112 HIS HE1 . . 5.250 3.804 3.233 4.408 . 0 0 "[ . 1 . 2]" 1
499 1 100 ASN HA 1 101 MET H . . 2.390 2.438 2.411 2.464 0.074 12 0 "[ . 1 . 2]" 1
500 1 101 MET H 1 101 MET HB3 . . 4.120 3.785 3.382 3.886 . 0 0 "[ . 1 . 2]" 1
501 1 101 MET HA 1 102 THR H . . 3.120 2.433 2.371 2.570 . 0 0 "[ . 1 . 2]" 1
502 1 101 MET HB2 1 102 THR H . . 4.120 3.281 2.157 3.664 . 0 0 "[ . 1 . 2]" 1
503 1 102 THR H 1 102 THR HB . . 4.010 3.828 3.782 3.862 . 0 0 "[ . 1 . 2]" 1
504 1 102 THR HA 1 103 PHE H . . 2.390 2.350 2.284 2.413 0.023 12 0 "[ . 1 . 2]" 1
505 1 102 THR HB 1 103 PHE H . . 3.820 2.433 2.265 2.608 . 0 0 "[ . 1 . 2]" 1
506 1 103 PHE H 1 103 PHE HB2 . . 3.730 2.854 2.783 2.906 . 0 0 "[ . 1 . 2]" 1
507 1 103 PHE HA 1 104 SER HB2 . . 5.500 5.709 5.665 5.765 0.265 7 0 "[ . 1 . 2]" 1
508 1 103 PHE HB2 1 105 SER H . . 4.670 3.403 3.119 3.863 . 0 0 "[ . 1 . 2]" 1
509 1 103 PHE HB2 1 108 VAL HB . . 3.640 3.675 3.644 3.708 0.068 2 0 "[ . 1 . 2]" 1
510 1 103 PHE HB3 1 105 SER H . . 4.250 2.929 2.623 3.359 . 0 0 "[ . 1 . 2]" 1
511 1 103 PHE HB3 1 108 VAL HB . . 4.420 2.275 2.165 2.440 . 0 0 "[ . 1 . 2]" 1
512 1 103 PHE HB3 1 109 ALA H . . 4.940 3.371 3.121 3.727 . 0 0 "[ . 1 . 2]" 1
513 1 103 PHE HB3 1 109 ALA HA . . 5.140 3.969 3.336 4.974 . 0 0 "[ . 1 . 2]" 1
514 1 104 SER HA 1 104 SER HB3 . . 3.050 2.404 2.377 2.438 . 0 0 "[ . 1 . 2]" 1
515 1 105 SER H 1 108 VAL HB . . 3.950 2.817 2.252 3.457 . 0 0 "[ . 1 . 2]" 1
516 1 105 SER HB2 1 107 VAL H . . 4.990 4.014 3.496 4.626 . 0 0 "[ . 1 . 2]" 1
517 1 105 SER HB2 1 108 VAL HB . . 5.020 4.712 3.769 5.638 0.618 20 1 "[ . 1 . +]" 1
518 1 105 SER HB3 1 108 VAL HB . . 4.610 4.279 3.323 5.426 0.816 14 5 "[ * 1 *+. * -2]" 1
519 1 106 PRO HA 1 109 ALA H . . 4.260 3.267 3.026 3.525 . 0 0 "[ . 1 . 2]" 1
520 1 106 PRO HD2 1 107 VAL H . . 4.630 2.966 2.837 3.361 . 0 0 "[ . 1 . 2]" 1
521 1 106 PRO HG3 1 107 VAL H . . 4.860 4.450 4.128 4.801 . 0 0 "[ . 1 . 2]" 1
522 1 107 VAL H 1 107 VAL HB . . 3.600 2.617 2.538 2.751 . 0 0 "[ . 1 . 2]" 1
523 1 107 VAL H 1 108 VAL H . . 3.080 2.678 2.512 2.763 . 0 0 "[ . 1 . 2]" 1
524 1 107 VAL H 1 109 ALA H . . 4.620 4.129 3.946 4.341 . 0 0 "[ . 1 . 2]" 1
525 1 107 VAL HA 1 108 VAL H . . 3.850 3.560 3.540 3.583 . 0 0 "[ . 1 . 2]" 1
526 1 107 VAL HA 1 109 ALA H . . 4.840 4.436 4.297 4.569 . 0 0 "[ . 1 . 2]" 1
527 1 107 VAL HA 1 110 GLU H . . 3.740 3.503 3.240 3.755 0.015 6 0 "[ . 1 . 2]" 1
528 1 107 VAL HA 1 110 GLU HG2 . . 4.510 3.864 2.235 4.895 0.385 5 0 "[ . 1 . 2]" 1
529 1 107 VAL HB 1 108 VAL H . . 4.030 2.803 2.630 2.989 . 0 0 "[ . 1 . 2]" 1
530 1 108 VAL H 1 108 VAL HB . . 3.480 2.564 2.510 2.637 . 0 0 "[ . 1 . 2]" 1
531 1 108 VAL H 1 109 ALA H . . 3.080 2.586 2.484 2.668 . 0 0 "[ . 1 . 2]" 1
532 1 108 VAL H 1 110 GLU H . . 4.820 4.268 4.110 4.481 . 0 0 "[ . 1 . 2]" 1
533 1 108 VAL H 1 111 SER H . . 5.130 4.771 4.604 4.916 . 0 0 "[ . 1 . 2]" 1
534 1 108 VAL HA 1 109 ALA H . . 3.850 3.581 3.574 3.596 . 0 0 "[ . 1 . 2]" 1
535 1 108 VAL HA 1 111 SER H . . 3.740 3.558 3.230 3.753 0.013 12 0 "[ . 1 . 2]" 1
536 1 108 VAL HA 1 111 SER HB2 . . 3.440 2.948 2.526 4.322 0.882 4 1 "[ +. 1 . 2]" 1
537 1 108 VAL HA 1 111 SER HB3 . . 4.010 3.933 2.623 4.555 0.545 3 1 "[ + . 1 . 2]" 1
538 1 108 VAL HB 1 109 ALA H . . 3.470 2.696 2.601 2.881 . 0 0 "[ . 1 . 2]" 1
539 1 109 ALA H 1 110 GLU H . . 3.080 2.826 2.708 2.966 . 0 0 "[ . 1 . 2]" 1
540 1 109 ALA HA 1 110 GLU H . . 3.850 3.625 3.602 3.654 . 0 0 "[ . 1 . 2]" 1
541 1 109 ALA HA 1 112 HIS H . . 3.740 3.527 3.338 3.733 . 0 0 "[ . 1 . 2]" 1
542 1 109 ALA HA 1 112 HIS HB2 . . 3.750 3.807 3.301 4.373 0.623 8 1 "[ . + 1 . 2]" 1
543 1 109 ALA HA 1 112 HIS HB3 . . 4.180 2.782 2.496 3.137 . 0 0 "[ . 1 . 2]" 1
544 1 109 ALA HA 1 113 TYR H . . 4.620 4.157 4.020 4.400 . 0 0 "[ . 1 . 2]" 1
545 1 110 GLU H 1 110 GLU HB2 . . 3.240 2.737 2.333 3.674 0.434 12 0 "[ . 1 . 2]" 1
546 1 110 GLU H 1 110 GLU HG3 . . 3.820 3.164 2.295 3.722 . 0 0 "[ . 1 . 2]" 1
547 1 110 GLU H 1 111 SER H . . 3.080 2.805 2.701 2.868 . 0 0 "[ . 1 . 2]" 1
548 1 110 GLU H 1 112 HIS H . . 4.620 4.244 4.145 4.355 . 0 0 "[ . 1 . 2]" 1
549 1 110 GLU HA 1 110 GLU HB2 . . 2.780 2.875 2.342 3.053 0.273 1 0 "[ . 1 . 2]" 1
550 1 110 GLU HA 1 110 GLU HG3 . . 3.950 3.522 2.806 3.809 . 0 0 "[ . 1 . 2]" 1
551 1 110 GLU HA 1 111 SER H . . 3.850 3.583 3.527 3.627 . 0 0 "[ . 1 . 2]" 1
552 1 110 GLU HA 1 113 TYR H . . 3.740 3.520 3.258 3.737 . 0 0 "[ . 1 . 2]" 1
553 1 110 GLU HA 1 113 TYR HB2 . . 4.380 2.885 2.307 3.501 . 0 0 "[ . 1 . 2]" 1
554 1 110 GLU HA 1 113 TYR HB3 . . 5.060 4.472 3.896 4.926 . 0 0 "[ . 1 . 2]" 1
555 1 110 GLU HB2 1 110 GLU HG3 . . 2.730 2.427 2.332 2.524 . 0 0 "[ . 1 . 2]" 1
556 1 110 GLU HB3 1 111 SER H . . 3.810 3.655 3.447 4.033 0.223 12 0 "[ . 1 . 2]" 1
557 1 111 SER H 1 111 SER HB2 . . 3.460 2.558 2.393 3.626 0.166 4 0 "[ . 1 . 2]" 1
558 1 111 SER H 1 112 HIS H . . 3.080 2.759 2.659 2.829 . 0 0 "[ . 1 . 2]" 1
559 1 111 SER H 1 113 TYR H . . 4.950 4.417 4.295 4.512 . 0 0 "[ . 1 . 2]" 1
560 1 111 SER HA 1 111 SER HB3 . . 2.800 2.598 2.459 3.047 0.247 18 0 "[ . 1 . 2]" 1
561 1 111 SER HA 1 112 HIS H . . 3.850 3.587 3.549 3.604 . 0 0 "[ . 1 . 2]" 1
562 1 111 SER HA 1 114 ILE HG12 . . 3.620 3.261 2.369 3.668 0.048 9 0 "[ . 1 . 2]" 1
563 1 111 SER HA 1 114 ILE HG13 . . 3.540 2.571 2.237 3.532 . 0 0 "[ . 1 . 2]" 1
564 1 111 SER HB2 1 112 HIS H . . 4.160 3.069 2.684 4.089 . 0 0 "[ . 1 . 2]" 1
565 1 112 HIS H 1 112 HIS HB2 . . 3.410 2.672 2.529 2.872 . 0 0 "[ . 1 . 2]" 1
566 1 112 HIS H 1 112 HIS HB3 . . 3.450 2.371 2.279 2.500 . 0 0 "[ . 1 . 2]" 1
567 1 112 HIS H 1 113 TYR H . . 3.080 2.752 2.589 2.895 . 0 0 "[ . 1 . 2]" 1
568 1 112 HIS H 1 114 ILE H . . 5.030 4.274 4.203 4.409 . 0 0 "[ . 1 . 2]" 1
569 1 112 HIS HA 1 113 TYR H . . 3.850 3.622 3.607 3.640 . 0 0 "[ . 1 . 2]" 1
570 1 112 HIS HB2 1 113 TYR H . . 4.310 3.970 3.899 4.037 . 0 0 "[ . 1 . 2]" 1
571 1 113 TYR H 1 113 TYR HB2 . . 3.720 2.456 2.204 2.689 . 0 0 "[ . 1 . 2]" 1
572 1 113 TYR H 1 114 ILE H . . 4.420 2.930 2.839 2.974 . 0 0 "[ . 1 . 2]" 1
573 1 113 TYR HA 1 118 HIS HB3 . . 4.340 3.191 2.881 3.674 . 0 0 "[ . 1 . 2]" 1
574 1 113 TYR HA 1 118 HIS HD2 . . 5.040 3.417 2.793 3.991 . 0 0 "[ . 1 . 2]" 1
575 1 114 ILE H 1 114 ILE HG13 . . 4.010 2.269 2.105 3.029 . 0 0 "[ . 1 . 2]" 1
576 1 114 ILE H 1 115 GLY H . . 3.490 2.488 2.215 2.853 . 0 0 "[ . 1 . 2]" 1
577 1 114 ILE HG13 1 115 GLY H . . 4.480 3.561 2.825 3.940 . 0 0 "[ . 1 . 2]" 1
578 1 115 GLY HA2 1 116 LYS H . . 3.320 2.301 2.236 2.386 . 0 0 "[ . 1 . 2]" 1
579 1 115 GLY HA3 1 116 LYS H . . 3.540 2.847 2.655 3.054 . 0 0 "[ . 1 . 2]" 1
580 1 116 LYS H 1 116 LYS HB2 . . 3.660 2.558 2.360 3.630 . 0 0 "[ . 1 . 2]" 1
581 1 116 LYS H 1 116 LYS HG2 . . 4.780 3.253 2.118 4.582 . 0 0 "[ . 1 . 2]" 1
582 1 116 LYS HA 1 116 LYS HB2 . . 3.000 2.850 2.360 3.053 0.053 5 0 "[ . 1 . 2]" 1
583 1 116 LYS HA 1 116 LYS HG3 . . 4.010 3.367 2.347 3.845 . 0 0 "[ . 1 . 2]" 1
584 1 116 LYS HA 1 119 ILE H . . 4.710 3.164 2.940 3.310 . 0 0 "[ . 1 . 2]" 1
585 1 116 LYS HA 1 119 ILE HB . . 3.840 2.297 2.070 2.438 . 0 0 "[ . 1 . 2]" 1
586 1 116 LYS HA 1 119 ILE HG13 . . 3.690 3.389 3.373 3.427 . 0 0 "[ . 1 . 2]" 1
587 1 116 LYS HD3 1 116 LYS HE3 . . 3.010 2.867 2.494 3.059 0.049 12 0 "[ . 1 . 2]" 1
588 1 116 LYS HE3 1 116 LYS HG3 . . 3.380 3.132 2.422 3.801 0.421 18 0 "[ . 1 . 2]" 1
589 1 117 THR H 1 117 THR HB . . 3.950 2.674 2.568 2.717 . 0 0 "[ . 1 . 2]" 1
590 1 117 THR HA 1 120 LYS H . . 4.320 3.714 3.539 3.909 . 0 0 "[ . 1 . 2]" 1
591 1 117 THR HA 1 120 LYS HB2 . . 3.680 3.308 2.783 3.803 0.123 20 0 "[ . 1 . 2]" 1
592 1 117 THR HA 1 120 LYS HB3 . . 3.950 3.872 2.808 4.802 0.852 3 8 "[* +*. *-*1 .** 2]" 1
593 1 117 THR HA 1 120 LYS QD . . 4.910 3.471 2.582 4.384 . 0 0 "[ . 1 . 2]" 1
594 1 117 THR HB 1 118 HIS H . . 3.830 2.611 2.530 2.676 . 0 0 "[ . 1 . 2]" 1
595 1 118 HIS H 1 118 HIS HB2 . . 3.570 2.501 2.442 2.602 . 0 0 "[ . 1 . 2]" 1
596 1 118 HIS H 1 118 HIS HB3 . . 3.650 2.519 2.421 2.575 . 0 0 "[ . 1 . 2]" 1
597 1 118 HIS H 1 119 ILE H . . 3.080 2.598 2.571 2.686 . 0 0 "[ . 1 . 2]" 1
598 1 118 HIS H 1 120 LYS H . . 4.620 4.184 4.106 4.289 . 0 0 "[ . 1 . 2]" 1
599 1 118 HIS HA 1 121 ASN H . . 3.740 3.536 3.401 3.653 . 0 0 "[ . 1 . 2]" 1
600 1 118 HIS HA 1 121 ASN HB2 . . 3.940 2.830 2.522 3.252 . 0 0 "[ . 1 . 2]" 1
601 1 118 HIS HB2 1 119 ILE H . . 4.620 3.827 3.773 3.920 . 0 0 "[ . 1 . 2]" 1
602 1 118 HIS HB3 1 119 ILE H . . 4.380 2.556 2.477 2.635 . 0 0 "[ . 1 . 2]" 1
603 1 119 ILE H 1 119 ILE HB . . 3.400 2.453 2.318 2.506 . 0 0 "[ . 1 . 2]" 1
604 1 119 ILE H 1 119 ILE HG12 . . 4.510 3.386 3.253 3.594 . 0 0 "[ . 1 . 2]" 1
605 1 119 ILE H 1 120 LYS H . . 3.080 2.823 2.767 2.875 . 0 0 "[ . 1 . 2]" 1
606 1 119 ILE HA 1 119 ILE HG12 . . 4.100 2.388 2.337 2.429 . 0 0 "[ . 1 . 2]" 1
607 1 119 ILE HA 1 119 ILE HG13 . . 3.800 2.933 2.764 3.036 . 0 0 "[ . 1 . 2]" 1
608 1 119 ILE HA 1 122 LEU H . . 3.740 3.084 2.878 3.344 . 0 0 "[ . 1 . 2]" 1
609 1 119 ILE HA 1 122 LEU HB2 . . 3.840 2.975 2.516 3.543 . 0 0 "[ . 1 . 2]" 1
610 1 119 ILE HA 1 122 LEU HB3 . . 4.740 4.292 3.956 4.679 . 0 0 "[ . 1 . 2]" 1
611 1 119 ILE HA 1 122 LEU HG . . 4.100 2.164 2.071 2.277 . 0 0 "[ . 1 . 2]" 1
612 1 120 LYS H 1 120 LYS HG2 . . 4.490 4.117 3.616 4.524 0.034 13 0 "[ . 1 . 2]" 1
613 1 120 LYS HA 1 120 LYS HB2 . . 2.940 2.772 2.481 3.052 0.112 9 0 "[ . 1 . 2]" 1
614 1 120 LYS HA 1 120 LYS HG2 . . 3.660 2.810 2.447 3.182 . 0 0 "[ . 1 . 2]" 1
615 1 120 LYS HA 1 123 ARG HD2 . . 5.180 4.430 2.727 5.900 0.720 1 2 "[+ .- 1 . 2]" 1
616 1 120 LYS HA 1 124 LEU H . . 4.620 4.512 4.118 4.684 0.064 9 0 "[ . 1 . 2]" 1
617 1 120 LYS HB2 1 120 LYS QD . . 3.390 2.501 2.337 3.015 . 0 0 "[ . 1 . 2]" 1
618 1 120 LYS HB3 1 120 LYS QD . . 3.500 2.602 2.409 3.095 . 0 0 "[ . 1 . 2]" 1
619 1 120 LYS HB3 1 121 ASN H . . 3.930 3.148 2.569 3.713 . 0 0 "[ . 1 . 2]" 1
620 1 120 LYS QD 1 120 LYS HG2 . . 2.590 2.345 2.170 2.399 . 0 0 "[ . 1 . 2]" 1
621 1 121 ASN H 1 121 ASN HB2 . . 3.760 2.308 2.238 2.379 . 0 0 "[ . 1 . 2]" 1
622 1 121 ASN H 1 122 LEU H . . 3.080 2.682 2.549 2.822 . 0 0 "[ . 1 . 2]" 1
623 1 121 ASN HA 1 122 LEU H . . 3.850 3.589 3.539 3.628 . 0 0 "[ . 1 . 2]" 1
624 1 121 ASN HA 1 123 ARG H . . 4.840 4.356 4.160 4.493 . 0 0 "[ . 1 . 2]" 1
625 1 121 ASN HA 1 124 LEU H . . 3.740 3.071 2.916 3.361 . 0 0 "[ . 1 . 2]" 1
626 1 121 ASN HA 1 124 LEU HB2 . . 4.700 2.718 2.246 3.635 . 0 0 "[ . 1 . 2]" 1
627 1 121 ASN HA 1 124 LEU HB3 . . 4.790 3.018 2.210 4.611 . 0 0 "[ . 1 . 2]" 1
628 1 121 ASN HA 1 124 LEU HG . . 5.170 4.022 2.350 5.150 . 0 0 "[ . 1 . 2]" 1
629 1 121 ASN HB2 1 122 LEU H . . 4.240 3.192 2.931 3.415 . 0 0 "[ . 1 . 2]" 1
630 1 122 LEU H 1 122 LEU HB2 . . 3.140 2.687 2.593 2.766 . 0 0 "[ . 1 . 2]" 1
631 1 122 LEU H 1 122 LEU HG . . 3.550 2.274 2.117 2.456 . 0 0 "[ . 1 . 2]" 1
632 1 122 LEU H 1 123 ARG H . . 3.080 2.762 2.580 2.865 . 0 0 "[ . 1 . 2]" 1
633 1 122 LEU HA 1 123 ARG H . . 3.850 3.579 3.558 3.607 . 0 0 "[ . 1 . 2]" 1
634 1 122 LEU HA 1 124 LEU H . . 4.840 4.498 4.170 4.727 . 0 0 "[ . 1 . 2]" 1
635 1 122 LEU HA 1 125 ARG H . . 3.740 3.665 3.539 3.787 0.047 15 0 "[ . 1 . 2]" 1
636 1 122 LEU HA 1 126 GLU H . . 4.620 4.313 4.100 4.654 0.034 16 0 "[ . 1 . 2]" 1
637 1 122 LEU HB3 1 123 ARG H . . 3.560 3.592 3.468 3.762 0.202 16 0 "[ . 1 . 2]" 1
638 1 122 LEU HG 1 123 ARG H . . 4.790 4.184 3.991 4.356 . 0 0 "[ . 1 . 2]" 1
639 1 123 ARG H 1 123 ARG HB2 . . 3.240 2.403 2.240 2.561 . 0 0 "[ . 1 . 2]" 1
640 1 123 ARG H 1 123 ARG HG3 . . 4.180 3.129 2.221 4.334 0.154 16 0 "[ . 1 . 2]" 1
641 1 123 ARG HA 1 123 ARG HD3 . . 4.850 4.504 3.474 4.772 . 0 0 "[ . 1 . 2]" 1
642 1 123 ARG HA 1 123 ARG HG2 . . 3.360 2.808 2.386 3.668 0.308 8 0 "[ . 1 . 2]" 1
643 1 123 ARG HA 1 123 ARG HG3 . . 3.600 2.776 2.327 3.270 . 0 0 "[ . 1 . 2]" 1
644 1 123 ARG HA 1 124 LEU H . . 3.850 3.559 3.514 3.599 . 0 0 "[ . 1 . 2]" 1
645 1 123 ARG HA 1 126 GLU H . . 3.740 3.446 2.997 3.752 0.012 14 0 "[ . 1 . 2]" 1
646 1 123 ARG HB2 1 124 LEU H . . 3.660 3.125 2.664 3.889 0.229 16 0 "[ . 1 . 2]" 1
647 1 124 LEU H 1 124 LEU HB2 . . 3.210 2.432 2.156 2.585 . 0 0 "[ . 1 . 2]" 1
648 1 124 LEU H 1 124 LEU HB3 . . 3.790 2.956 2.400 3.659 . 0 0 "[ . 1 . 2]" 1
649 1 124 LEU H 1 125 ARG H . . 3.080 2.748 2.584 2.852 . 0 0 "[ . 1 . 2]" 1
650 1 124 LEU HA 1 125 ARG H . . 3.850 3.567 3.434 3.623 . 0 0 "[ . 1 . 2]" 1
651 1 124 LEU HB2 1 125 ARG H . . 3.730 3.502 2.688 4.266 0.536 11 2 "[ . 1+ - . 2]" 1
652 1 125 ARG H 1 125 ARG HG2 . . 4.080 3.166 2.290 4.528 0.448 16 0 "[ . 1 . 2]" 1
653 1 125 ARG H 1 126 GLU H . . 3.080 2.547 2.044 2.766 . 0 0 "[ . 1 . 2]" 1
654 1 125 ARG HA 1 125 ARG HB2 . . 2.820 3.022 2.607 3.058 0.238 9 0 "[ . 1 . 2]" 1
655 1 125 ARG HA 1 125 ARG HD3 . . 3.980 3.435 2.207 4.474 0.494 16 0 "[ . 1 . 2]" 1
656 1 125 ARG HA 1 125 ARG HG2 . . 3.500 3.230 2.368 3.704 0.204 9 0 "[ . 1 . 2]" 1
657 1 125 ARG HA 1 125 ARG HG3 . . 4.280 3.298 2.129 3.870 . 0 0 "[ . 1 . 2]" 1
658 1 125 ARG HB2 1 125 ARG HD3 . . 4.060 3.535 2.519 4.284 0.224 3 0 "[ . 1 . 2]" 1
659 1 125 ARG HB2 1 126 GLU H . . 3.580 2.998 2.685 3.779 0.199 16 0 "[ . 1 . 2]" 1
660 1 125 ARG HB3 1 125 ARG HD3 . . 3.950 3.304 2.463 4.194 0.244 18 0 "[ . 1 . 2]" 1
661 1 125 ARG HD2 1 125 ARG HG2 . . 2.680 2.786 2.459 3.052 0.372 8 0 "[ . 1 . 2]" 1
662 1 126 GLU H 1 126 GLU HG2 . . 4.980 4.032 2.686 4.911 . 0 0 "[ . 1 . 2]" 1
663 1 126 GLU HA 1 126 GLU HG2 . . 4.110 2.835 2.370 3.326 . 0 0 "[ . 1 . 2]" 1
664 1 126 GLU HA 1 126 GLU HG3 . . 3.510 2.827 2.300 3.789 0.279 10 0 "[ . 1 . 2]" 1
665 1 126 GLU HA 1 127 GLN H . . 3.850 3.217 2.160 3.583 . 0 0 "[ . 1 . 2]" 1
666 1 127 GLN H 1 127 GLN HG3 . . 4.610 3.643 2.333 4.790 0.180 19 0 "[ . 1 . 2]" 1
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