NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562185 |
2m7s   |
19203 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7s
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 910
_Distance_constraint_stats_list.Viol_count 1955
_Distance_constraint_stats_list.Viol_total 6490.564
_Distance_constraint_stats_list.Viol_max 1.790
_Distance_constraint_stats_list.Viol_rms 0.1037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0178
_Distance_constraint_stats_list.Viol_average_violations_only 0.1660
_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 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 2.578 0.416 5 0 "[ . 1 . 2]"
1 5 GLY 2.578 0.416 5 0 "[ . 1 . 2]"
1 6 ARG 0.303 0.080 1 0 "[ . 1 . 2]"
1 7 TYR 0.537 0.080 1 0 "[ . 1 . 2]"
1 8 GLY 0.180 0.080 16 0 "[ . 1 . 2]"
1 9 PRO 26.502 1.771 11 20 [**********+-********]
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 26.502 1.771 11 20 [**********+-********]
1 12 ARG 0.964 0.195 9 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.102 0.052 17 0 "[ . 1 . 2]"
1 15 GLU 8.944 0.644 2 10 "[ +* ** **1* *-. * 2]"
1 16 ASN 11.299 0.425 13 0 "[ . 1 . 2]"
1 17 ARG 8.262 0.752 18 3 "[ . *-1 . + 2]"
1 18 VAL 4.482 0.539 8 1 "[ . + 1 . 2]"
1 19 VAL 21.986 1.286 4 18 "[***+******-****** *2]"
1 20 VAL 2.480 0.113 5 0 "[ . 1 . 2]"
1 21 SER 10.558 0.911 1 7 "[+ *.* **- . * 2]"
1 22 GLY 8.038 0.911 1 7 "[+ *.* **- . * 2]"
1 23 LEU 3.049 0.130 1 0 "[ . 1 . 2]"
1 24 PRO 4.467 0.940 18 2 "[ . 1 .- + 2]"
1 25 PRO 3.051 0.254 10 0 "[ . 1 . 2]"
1 26 SER 8.196 1.139 19 4 "[ * . 1 .- *+2]"
1 27 GLY 7.509 0.940 18 2 "[ . 1 - + 2]"
1 28 SER 8.710 0.535 5 1 "[ + 1 . 2]"
1 29 TRP 30.487 1.483 18 17 "[****-****1** ** *+**]"
1 30 GLN 13.113 1.483 18 9 "[* *.** 1- ** +*2]"
1 31 ASP 0.697 0.081 9 0 "[ . 1 . 2]"
1 32 LEU 8.467 0.133 17 0 "[ . 1 . 2]"
1 33 LYS 12.635 0.954 7 14 "[*** **+-*1** ** * *]"
1 34 ASP 0.593 0.077 16 0 "[ . 1 . 2]"
1 35 HIS 1.339 0.243 17 0 "[ . 1 . 2]"
1 36 MET 5.141 0.243 17 0 "[ . 1 . 2]"
1 37 ARG 2.751 0.857 15 1 "[ . 1 + 2]"
1 38 GLU 3.814 0.857 15 1 "[ . 1 + 2]"
1 39 ALA 16.391 1.121 14 14 "[ -* ****** *+** **]"
1 40 GLY 1.414 0.127 18 0 "[ . 1 . 2]"
1 41 ASP 0.748 0.079 19 0 "[ . 1 . 2]"
1 42 VAL 2.256 0.374 5 0 "[ . 1 . 2]"
1 43 CYS 2.242 0.439 5 0 "[ . 1 . 2]"
1 44 TYR 1.654 0.118 12 0 "[ . 1 . 2]"
1 45 ALA 3.503 0.459 17 0 "[ . 1 . 2]"
1 46 ASP 3.465 0.111 9 0 "[ . 1 . 2]"
1 47 VAL 3.129 0.133 17 0 "[ . 1 . 2]"
1 48 TYR 4.892 0.116 8 0 "[ . 1 . 2]"
1 49 ARG 2.057 0.104 12 0 "[ . 1 . 2]"
1 50 ASP 4.638 0.395 1 0 "[ . 1 . 2]"
1 51 GLY 1.924 0.395 1 0 "[ . 1 . 2]"
1 52 THR 2.302 0.097 20 0 "[ . 1 . 2]"
1 53 GLY 2.757 0.095 17 0 "[ . 1 . 2]"
1 54 VAL 3.575 0.121 11 0 "[ . 1 . 2]"
1 55 VAL 3.616 0.106 11 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 12.141 0.945 17 5 "[* . *- . + *2]"
1 58 VAL 6.427 0.425 13 0 "[ . 1 . 2]"
1 59 ARG 2.305 0.084 20 0 "[ . 1 . 2]"
1 60 LYS 2.715 0.093 14 0 "[ . 1 . 2]"
1 61 GLU 1.022 0.078 20 0 "[ . 1 . 2]"
1 62 ASP 0.998 0.071 17 0 "[ . 1 . 2]"
1 63 MET 18.293 1.007 19 10 "[** *. **- **. * +2]"
1 64 THR 3.474 0.102 11 0 "[ . 1 . 2]"
1 65 TYR 11.260 1.375 16 10 "[** *.** 1* *-.+* 2]"
1 66 ALA 2.830 0.132 3 0 "[ . 1 . 2]"
1 67 VAL 18.482 1.326 8 13 "[*-**. *+*1* ***** 2]"
1 68 ARG 24.067 1.326 8 13 "[****. *+*1* -**** 2]"
1 69 LYS 17.007 1.375 16 10 "[*- *.** 1* **.+* 2]"
1 70 LEU 19.575 1.121 14 14 "[ -* ****** *+** **]"
1 71 ASP 3.356 0.117 16 0 "[ . 1 . 2]"
1 72 ASN 4.701 0.487 10 0 "[ . 1 . 2]"
1 73 THR 2.360 0.117 16 0 "[ . 1 . 2]"
1 74 LYS 17.120 1.266 3 9 "[ *+*. *1* * - **]"
1 75 PHE 17.258 1.266 3 7 "[ *+*. *1 * - *2]"
1 76 ARG 0.537 0.075 16 0 "[ . 1 . 2]"
1 77 SER 1.263 0.091 15 0 "[ . 1 . 2]"
1 78 HIS 0.069 0.018 16 0 "[ . 1 . 2]"
1 79 GLU 20.632 1.790 11 10 "[ -*** *+ * ***]"
1 80 GLY 2.115 0.092 11 0 "[ . 1 . 2]"
1 81 GLU 19.727 1.790 11 9 "[ **** *+ * * -]"
1 82 THR 5.877 0.122 11 0 "[ . 1 . 2]"
1 83 ALA 1.736 0.095 19 0 "[ . 1 . 2]"
1 84 TYR 8.639 0.722 17 3 "[ . 1- . + *]"
1 85 ILE 5.497 0.130 1 0 "[ . 1 . 2]"
1 86 ARG 1.229 0.074 14 0 "[ . 1 . 2]"
1 87 VAL 3.775 0.142 20 0 "[ . 1 . 2]"
1 88 LYS 2.078 0.099 5 0 "[ . 1 . 2]"
1 89 VAL 6.691 0.563 4 1 "[ +. 1 . 2]"
1 90 ASP 27.777 1.286 4 19 [***+****-**********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 2 ALA HA 1 3 PRO HD3 . . 3.410 2.512 2.321 2.767 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 PRO HD3 . . 4.060 3.408 3.020 3.611 . 0 0 "[ . 1 . 2]" 1
3 1 4 ARG H 1 5 GLY H . . 4.690 4.092 1.962 4.422 . 0 0 "[ . 1 . 2]" 1
4 1 4 ARG HA 1 5 GLY H . . 3.550 2.497 2.200 3.145 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG HA 1 5 GLY HA2 . . 4.460 4.583 4.411 4.876 0.416 5 0 "[ . 1 . 2]" 1
6 1 6 ARG H 1 7 TYR HA . . 5.060 4.853 4.594 5.140 0.080 1 0 "[ . 1 . 2]" 1
7 1 6 ARG HA 1 7 TYR H . . 3.230 2.461 2.138 3.183 . 0 0 "[ . 1 . 2]" 1
8 1 7 TYR H 1 7 TYR HB3 . . 3.800 3.070 2.673 3.614 . 0 0 "[ . 1 . 2]" 1
9 1 7 TYR H 1 7 TYR QD . . 4.960 4.136 2.910 4.545 . 0 0 "[ . 1 . 2]" 1
10 1 7 TYR H 1 8 GLY H . . 4.430 4.218 3.365 4.510 0.080 16 0 "[ . 1 . 2]" 1
11 1 7 TYR HA 1 7 TYR QD . . 3.000 2.550 2.171 3.055 0.055 19 0 "[ . 1 . 2]" 1
12 1 7 TYR HA 1 8 GLY H . . 3.170 2.423 2.112 2.777 . 0 0 "[ . 1 . 2]" 1
13 1 7 TYR HA 1 8 GLY QA . . 4.220 4.032 3.947 4.223 0.003 9 0 "[ . 1 . 2]" 1
14 1 7 TYR HB3 1 8 GLY H . . 4.570 3.600 2.540 4.571 0.001 2 0 "[ . 1 . 2]" 1
15 1 9 PRO HA 1 10 PRO HD3 . . 3.110 2.489 2.291 2.875 . 0 0 "[ . 1 . 2]" 1
16 1 9 PRO HB3 1 11 SER H . . 4.390 5.715 5.012 6.161 1.771 11 20 [**********+-********] 1
17 1 10 PRO HA 1 11 SER H . . 2.920 2.422 2.131 2.689 . 0 0 "[ . 1 . 2]" 1
18 1 11 SER HA 1 12 ARG H . . 2.990 2.346 2.113 2.850 . 0 0 "[ . 1 . 2]" 1
19 1 12 ARG H 1 12 ARG HB3 . . 3.660 3.470 2.655 3.855 0.195 9 0 "[ . 1 . 2]" 1
20 1 12 ARG HA 1 13 ARG H . . 3.020 2.490 2.045 2.803 . 0 0 "[ . 1 . 2]" 1
21 1 12 ARG HA 1 13 ARG HG3 . . 5.470 4.385 3.562 5.189 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG HB3 1 13 ARG H . . 4.200 3.009 1.942 3.714 . 0 0 "[ . 1 . 2]" 1
23 1 13 ARG H 1 13 ARG HG3 . . 5.370 3.632 2.779 4.391 . 0 0 "[ . 1 . 2]" 1
24 1 13 ARG H 1 14 SER H . . 5.030 2.946 2.396 4.228 . 0 0 "[ . 1 . 2]" 1
25 1 14 SER HA 1 15 GLU H . . 3.100 2.445 2.189 2.647 . 0 0 "[ . 1 . 2]" 1
26 1 14 SER HB3 1 15 GLU H . . 3.260 2.388 2.154 2.949 . 0 0 "[ . 1 . 2]" 1
27 1 14 SER HB3 1 16 ASN H . . 3.950 3.679 3.226 4.002 0.052 17 0 "[ . 1 . 2]" 1
28 1 14 SER HB3 1 16 ASN HD21 . . 5.340 4.975 4.231 5.390 0.050 17 0 "[ . 1 . 2]" 1
29 1 14 SER HB3 1 16 ASN HD22 . . 5.210 4.218 3.223 4.788 . 0 0 "[ . 1 . 2]" 1
30 1 15 GLU H 1 15 GLU HB3 . . 4.070 3.194 2.317 3.634 . 0 0 "[ . 1 . 2]" 1
31 1 15 GLU H 1 15 GLU HG3 . . 4.240 3.136 2.340 3.791 . 0 0 "[ . 1 . 2]" 1
32 1 15 GLU H 1 16 ASN H . . 3.430 3.314 3.148 3.492 0.062 7 0 "[ . 1 . 2]" 1
33 1 15 GLU HA 1 15 GLU HB3 . . 2.880 2.471 2.319 2.677 . 0 0 "[ . 1 . 2]" 1
34 1 15 GLU HA 1 15 GLU HG3 . . 4.040 3.408 2.503 3.976 . 0 0 "[ . 1 . 2]" 1
35 1 15 GLU HA 1 16 ASN HD22 . . 5.230 5.222 5.115 5.302 0.072 13 0 "[ . 1 . 2]" 1
36 1 15 GLU HA 1 17 ARG H . . 3.890 3.651 3.457 3.886 . 0 0 "[ . 1 . 2]" 1
37 1 15 GLU HB3 1 15 GLU HG3 . . 2.400 2.789 2.400 3.044 0.644 2 10 "[ +* ** **1* *-. * 2]" 1
38 1 15 GLU HB3 1 16 ASN H . . 4.570 4.552 4.322 4.694 0.124 2 0 "[ . 1 . 2]" 1
39 1 16 ASN H 1 16 ASN HB3 . . 3.710 4.008 3.861 4.078 0.368 11 0 "[ . 1 . 2]" 1
40 1 16 ASN H 1 16 ASN HD21 . . 5.410 3.602 3.408 3.724 . 0 0 "[ . 1 . 2]" 1
41 1 16 ASN H 1 16 ASN HD22 . . 4.530 4.313 4.192 4.441 . 0 0 "[ . 1 . 2]" 1
42 1 16 ASN H 1 17 ARG H . . 4.070 2.263 1.927 2.914 . 0 0 "[ . 1 . 2]" 1
43 1 16 ASN H 1 17 ARG HA . . 5.500 4.383 4.191 4.569 . 0 0 "[ . 1 . 2]" 1
44 1 16 ASN HA 1 16 ASN HD22 . . 5.420 4.236 4.072 4.594 . 0 0 "[ . 1 . 2]" 1
45 1 16 ASN HA 1 17 ARG H . . 2.920 2.918 2.658 2.997 0.077 10 0 "[ . 1 . 2]" 1
46 1 16 ASN HA 1 63 MET HB3 . . 5.310 3.137 2.706 3.677 . 0 0 "[ . 1 . 2]" 1
47 1 16 ASN HA 1 63 MET ME . . 4.020 2.566 2.148 2.811 . 0 0 "[ . 1 . 2]" 1
48 1 16 ASN HA 1 63 MET HG3 . . 4.960 3.114 2.200 4.583 . 0 0 "[ . 1 . 2]" 1
49 1 16 ASN HB3 1 57 PHE H . . 4.190 4.001 3.646 4.406 0.216 9 0 "[ . 1 . 2]" 1
50 1 16 ASN HB3 1 58 VAL HA . . 4.370 4.501 4.282 4.795 0.425 13 0 "[ . 1 . 2]" 1
51 1 16 ASN HB3 1 59 ARG HA . . 3.860 2.789 2.442 3.234 . 0 0 "[ . 1 . 2]" 1
52 1 16 ASN HB3 1 63 MET HB3 . . 4.760 4.267 3.985 4.592 . 0 0 "[ . 1 . 2]" 1
53 1 16 ASN HD21 1 59 ARG HA . . 4.640 3.153 2.648 3.926 . 0 0 "[ . 1 . 2]" 1
54 1 16 ASN HD21 1 60 LYS H . . 4.270 2.604 2.301 3.009 . 0 0 "[ . 1 . 2]" 1
55 1 16 ASN HD21 1 60 LYS HA . . 4.350 2.980 2.603 3.391 . 0 0 "[ . 1 . 2]" 1
56 1 16 ASN HD21 1 60 LYS HB3 . . 5.290 3.930 3.621 4.523 . 0 0 "[ . 1 . 2]" 1
57 1 16 ASN HD22 1 59 ARG HA . . 5.120 3.123 2.873 3.391 . 0 0 "[ . 1 . 2]" 1
58 1 16 ASN HD22 1 60 LYS H . . 4.880 3.029 2.685 3.578 . 0 0 "[ . 1 . 2]" 1
59 1 16 ASN HD22 1 60 LYS HA . . 5.190 4.522 4.082 5.072 . 0 0 "[ . 1 . 2]" 1
60 1 16 ASN HD22 1 60 LYS HB3 . . 5.500 4.564 3.777 5.536 0.036 20 0 "[ . 1 . 2]" 1
61 1 17 ARG H 1 17 ARG HB3 . . 3.500 2.865 2.585 3.223 . 0 0 "[ . 1 . 2]" 1
62 1 17 ARG H 1 18 VAL H . . 5.270 4.505 4.384 4.645 . 0 0 "[ . 1 . 2]" 1
63 1 17 ARG H 1 18 VAL MG1 . . 5.500 4.147 3.477 4.470 . 0 0 "[ . 1 . 2]" 1
64 1 17 ARG H 1 60 LYS HA . . 5.500 5.538 5.269 5.593 0.093 14 0 "[ . 1 . 2]" 1
65 1 17 ARG H 1 63 MET ME . . 4.350 2.890 2.352 3.441 . 0 0 "[ . 1 . 2]" 1
66 1 17 ARG HA 1 18 VAL H . . 3.010 2.251 2.132 2.383 . 0 0 "[ . 1 . 2]" 1
67 1 17 ARG HA 1 18 VAL MG2 . . 4.630 3.476 2.859 3.957 . 0 0 "[ . 1 . 2]" 1
68 1 17 ARG HA 1 56 GLU HA . . 3.550 2.338 2.076 2.760 . 0 0 "[ . 1 . 2]" 1
69 1 17 ARG HA 1 57 PHE H . . 4.370 3.208 2.878 3.629 . 0 0 "[ . 1 . 2]" 1
70 1 17 ARG HB3 1 18 VAL H . . 5.240 3.932 3.513 4.332 . 0 0 "[ . 1 . 2]" 1
71 1 17 ARG HB3 1 18 VAL HA . . 5.140 4.633 4.168 4.885 . 0 0 "[ . 1 . 2]" 1
72 1 17 ARG HB3 1 19 VAL QG . . 5.490 4.924 4.442 5.286 . 0 0 "[ . 1 . 2]" 1
73 1 17 ARG HB3 1 90 ASP H . . 5.460 3.907 3.439 4.598 . 0 0 "[ . 1 . 2]" 1
74 1 17 ARG HG3 1 18 VAL H . . 4.430 3.914 2.645 4.969 0.539 8 1 "[ . + 1 . 2]" 1
75 1 17 ARG HG3 1 54 VAL QG . . 5.500 4.034 3.040 5.279 . 0 0 "[ . 1 . 2]" 1
76 1 17 ARG HG3 1 56 GLU HA . . 4.890 3.862 2.523 4.755 . 0 0 "[ . 1 . 2]" 1
77 1 17 ARG HG3 1 90 ASP HB3 . . 4.460 4.656 4.163 5.212 0.752 18 2 "[ . -1 . + 2]" 1
78 1 18 VAL H 1 18 VAL HB . . 4.070 3.760 3.555 3.933 . 0 0 "[ . 1 . 2]" 1
79 1 18 VAL H 1 18 VAL MG1 . . 3.930 3.301 2.907 3.586 . 0 0 "[ . 1 . 2]" 1
80 1 18 VAL H 1 18 VAL MG2 . . 3.400 2.274 2.005 2.499 . 0 0 "[ . 1 . 2]" 1
81 1 18 VAL H 1 55 VAL H . . 3.920 3.350 3.109 3.874 . 0 0 "[ . 1 . 2]" 1
82 1 18 VAL H 1 55 VAL HB . . 5.010 3.640 3.137 4.281 . 0 0 "[ . 1 . 2]" 1
83 1 18 VAL H 1 55 VAL QG . . 5.070 4.004 3.438 4.361 . 0 0 "[ . 1 . 2]" 1
84 1 18 VAL H 1 57 PHE HD1 . . 5.300 4.800 4.030 5.397 0.097 20 0 "[ . 1 . 2]" 1
85 1 18 VAL H 1 90 ASP HB3 . . 5.080 4.750 3.819 5.156 0.076 8 0 "[ . 1 . 2]" 1
86 1 18 VAL HA 1 18 VAL MG1 . . 3.300 2.282 2.135 2.394 . 0 0 "[ . 1 . 2]" 1
87 1 18 VAL HA 1 19 VAL H . . 2.940 2.447 2.350 2.566 . 0 0 "[ . 1 . 2]" 1
88 1 18 VAL HA 1 19 VAL QG . . 4.050 3.266 2.970 3.777 . 0 0 "[ . 1 . 2]" 1
89 1 18 VAL HA 1 55 VAL HB . . 5.400 5.177 4.794 5.448 0.048 2 0 "[ . 1 . 2]" 1
90 1 18 VAL HA 1 89 VAL H . . 4.920 4.772 4.509 4.987 0.067 9 0 "[ . 1 . 2]" 1
91 1 18 VAL HA 1 89 VAL HA . . 3.370 2.351 2.114 2.668 . 0 0 "[ . 1 . 2]" 1
92 1 18 VAL HA 1 89 VAL MG1 . . 4.800 3.758 3.447 4.082 . 0 0 "[ . 1 . 2]" 1
93 1 18 VAL HA 1 89 VAL MG2 . . 5.290 4.302 3.885 4.607 . 0 0 "[ . 1 . 2]" 1
94 1 18 VAL HA 1 90 ASP H . . 3.450 2.419 2.108 2.750 . 0 0 "[ . 1 . 2]" 1
95 1 18 VAL HA 1 90 ASP HA . . 4.670 4.184 3.658 4.743 0.073 19 0 "[ . 1 . 2]" 1
96 1 18 VAL HA 1 90 ASP HB3 . . 4.730 4.046 3.598 4.422 . 0 0 "[ . 1 . 2]" 1
97 1 18 VAL HB 1 19 VAL H . . 3.370 2.472 2.176 2.987 . 0 0 "[ . 1 . 2]" 1
98 1 18 VAL HB 1 20 VAL QG . . 4.810 4.116 3.779 4.623 . 0 0 "[ . 1 . 2]" 1
99 1 18 VAL HB 1 55 VAL HB . . 4.930 3.986 2.989 4.640 . 0 0 "[ . 1 . 2]" 1
100 1 18 VAL HB 1 87 VAL QG . . 3.610 2.693 2.118 3.412 . 0 0 "[ . 1 . 2]" 1
101 1 18 VAL HB 1 88 LYS H . . 4.170 3.584 2.966 4.229 0.059 3 0 "[ . 1 . 2]" 1
102 1 18 VAL HB 1 89 VAL HA . . 5.460 3.786 3.197 4.316 . 0 0 "[ . 1 . 2]" 1
103 1 18 VAL MG1 1 63 MET HA . . 4.570 3.375 3.099 3.773 . 0 0 "[ . 1 . 2]" 1
104 1 18 VAL MG1 1 63 MET HB3 . . 4.370 4.290 4.098 4.616 0.246 17 0 "[ . 1 . 2]" 1
105 1 18 VAL MG1 1 63 MET HG3 . . 3.860 2.422 1.822 2.929 . 0 0 "[ . 1 . 2]" 1
106 1 18 VAL MG1 1 88 LYS H . . 4.530 4.073 3.662 4.611 0.081 4 0 "[ . 1 . 2]" 1
107 1 18 VAL MG1 1 89 VAL HA . . 3.570 2.133 1.921 2.594 . 0 0 "[ . 1 . 2]" 1
108 1 18 VAL MG1 1 89 VAL HB . . 5.040 4.498 4.000 4.957 . 0 0 "[ . 1 . 2]" 1
109 1 18 VAL MG1 1 90 ASP H . . 4.630 3.396 2.872 3.818 . 0 0 "[ . 1 . 2]" 1
110 1 18 VAL MG2 1 55 VAL H . . 3.860 3.490 2.958 3.940 0.080 12 0 "[ . 1 . 2]" 1
111 1 18 VAL MG2 1 55 VAL HB . . 3.120 2.060 1.871 2.360 . 0 0 "[ . 1 . 2]" 1
112 1 18 VAL MG2 1 55 VAL QG . . 4.330 2.506 2.058 2.892 . 0 0 "[ . 1 . 2]" 1
113 1 18 VAL MG2 1 57 PHE HD1 . . 3.530 2.800 2.315 3.422 . 0 0 "[ . 1 . 2]" 1
114 1 18 VAL MG2 1 66 ALA MB . . 3.750 3.554 2.894 3.882 0.132 3 0 "[ . 1 . 2]" 1
115 1 19 VAL H 1 19 VAL HB . . 3.600 2.970 2.455 3.683 0.083 20 0 "[ . 1 . 2]" 1
116 1 19 VAL H 1 19 VAL QG . . 3.440 2.638 1.978 3.051 . 0 0 "[ . 1 . 2]" 1
117 1 19 VAL H 1 54 VAL HA . . 5.330 4.911 4.601 5.295 . 0 0 "[ . 1 . 2]" 1
118 1 19 VAL H 1 55 VAL QG . . 5.390 4.790 4.246 5.127 . 0 0 "[ . 1 . 2]" 1
119 1 19 VAL H 1 88 LYS H . . 3.580 2.832 2.593 3.146 . 0 0 "[ . 1 . 2]" 1
120 1 19 VAL H 1 89 VAL HA . . 4.250 3.791 3.397 4.153 . 0 0 "[ . 1 . 2]" 1
121 1 19 VAL H 1 90 ASP H . . 4.500 4.204 2.361 4.541 0.041 13 0 "[ . 1 . 2]" 1
122 1 19 VAL H 1 90 ASP HA . . 5.420 4.621 3.339 5.436 0.016 14 0 "[ . 1 . 2]" 1
123 1 19 VAL H 1 90 ASP HB3 . . 4.810 5.710 4.893 6.096 1.286 4 18 "[***+******-****** *2]" 1
124 1 19 VAL HA 1 20 VAL H . . 2.840 2.377 2.178 2.656 . 0 0 "[ . 1 . 2]" 1
125 1 19 VAL HA 1 20 VAL HB . . 4.700 4.629 4.427 4.801 0.101 5 0 "[ . 1 . 2]" 1
126 1 19 VAL HA 1 20 VAL QG . . 4.250 3.327 2.468 3.624 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL HA 1 53 GLY H . . 4.850 4.604 4.383 4.853 0.003 19 0 "[ . 1 . 2]" 1
128 1 19 VAL HA 1 54 VAL H . . 5.190 4.712 4.158 5.107 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL HA 1 54 VAL HA . . 3.310 2.142 1.773 2.497 . 0 0 "[ . 1 . 2]" 1
130 1 19 VAL HA 1 54 VAL HB . . 4.520 4.376 3.876 4.634 0.114 5 0 "[ . 1 . 2]" 1
131 1 19 VAL HA 1 54 VAL QG . . 4.000 3.259 2.610 3.775 . 0 0 "[ . 1 . 2]" 1
132 1 19 VAL HA 1 55 VAL H . . 4.120 3.034 2.476 3.433 . 0 0 "[ . 1 . 2]" 1
133 1 19 VAL HA 1 55 VAL HB . . 4.210 4.183 3.805 4.293 0.083 9 0 "[ . 1 . 2]" 1
134 1 19 VAL HA 1 55 VAL QG . . 4.630 3.425 2.460 4.159 . 0 0 "[ . 1 . 2]" 1
135 1 19 VAL HB 1 20 VAL H . . 4.250 3.561 2.123 4.260 0.010 6 0 "[ . 1 . 2]" 1
136 1 19 VAL HB 1 88 LYS H . . 4.850 4.337 3.568 4.949 0.099 5 0 "[ . 1 . 2]" 1
137 1 19 VAL HB 1 88 LYS HG3 . . 4.940 3.066 2.053 4.970 0.030 12 0 "[ . 1 . 2]" 1
138 1 19 VAL QG 1 20 VAL H . . 3.500 2.591 2.147 3.034 . 0 0 "[ . 1 . 2]" 1
139 1 19 VAL QG 1 20 VAL HB . . 5.210 4.519 4.090 5.070 . 0 0 "[ . 1 . 2]" 1
140 1 19 VAL QG 1 21 SER H . . 5.500 4.778 4.434 5.161 . 0 0 "[ . 1 . 2]" 1
141 1 19 VAL QG 1 52 THR HB . . 4.770 3.789 2.921 4.688 . 0 0 "[ . 1 . 2]" 1
142 1 19 VAL QG 1 53 GLY H . . 4.590 3.368 2.630 4.370 . 0 0 "[ . 1 . 2]" 1
143 1 19 VAL QG 1 54 VAL HA . . 4.330 2.586 2.108 3.017 . 0 0 "[ . 1 . 2]" 1
144 1 19 VAL QG 1 54 VAL QG . . 2.400 2.091 1.786 2.476 0.076 13 0 "[ . 1 . 2]" 1
145 1 19 VAL QG 1 55 VAL H . . 4.930 3.492 2.978 3.882 . 0 0 "[ . 1 . 2]" 1
146 1 19 VAL QG 1 89 VAL HA . . 5.500 4.425 3.875 5.123 . 0 0 "[ . 1 . 2]" 1
147 1 19 VAL QG 1 90 ASP H . . 5.500 3.679 3.338 4.217 . 0 0 "[ . 1 . 2]" 1
148 1 19 VAL QG 1 90 ASP HA . . 3.970 2.556 2.047 3.423 . 0 0 "[ . 1 . 2]" 1
149 1 19 VAL QG 1 90 ASP HB3 . . 3.860 3.770 3.511 4.086 0.226 2 0 "[ . 1 . 2]" 1
150 1 20 VAL H 1 20 VAL HB . . 3.600 2.647 2.262 3.460 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL H 1 20 VAL QG . . 3.440 2.610 2.261 2.899 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL H 1 23 LEU QD . . 5.500 4.135 3.743 4.646 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL H 1 32 LEU MD2 . . 4.990 5.041 4.765 5.103 0.113 5 0 "[ . 1 . 2]" 1
154 1 20 VAL H 1 52 THR HA . . 5.500 4.663 4.322 5.014 . 0 0 "[ . 1 . 2]" 1
155 1 20 VAL H 1 53 GLY HA3 . . 5.400 3.858 3.576 4.286 . 0 0 "[ . 1 . 2]" 1
156 1 20 VAL H 1 87 VAL HA . . 5.290 5.002 4.681 5.324 0.034 9 0 "[ . 1 . 2]" 1
157 1 20 VAL HA 1 20 VAL QG . . 3.260 2.176 2.116 2.549 . 0 0 "[ . 1 . 2]" 1
158 1 20 VAL HA 1 21 SER H . . 2.900 2.420 2.300 2.554 . 0 0 "[ . 1 . 2]" 1
159 1 20 VAL HA 1 23 LEU QD . . 5.500 4.255 3.877 4.878 . 0 0 "[ . 1 . 2]" 1
160 1 20 VAL HA 1 32 LEU MD2 . . 5.490 5.129 4.683 5.381 . 0 0 "[ . 1 . 2]" 1
161 1 20 VAL HA 1 86 ARG H . . 4.840 4.229 3.881 4.536 . 0 0 "[ . 1 . 2]" 1
162 1 20 VAL HA 1 87 VAL HA . . 3.160 2.511 2.168 2.797 . 0 0 "[ . 1 . 2]" 1
163 1 20 VAL HA 1 88 LYS H . . 4.310 3.661 3.253 4.249 . 0 0 "[ . 1 . 2]" 1
164 1 20 VAL HB 1 21 SER H . . 4.410 3.886 2.896 4.185 . 0 0 "[ . 1 . 2]" 1
165 1 20 VAL HB 1 23 LEU QD . . 4.320 2.438 2.081 3.809 . 0 0 "[ . 1 . 2]" 1
166 1 20 VAL HB 1 23 LEU HG . . 4.780 4.194 3.644 4.536 . 0 0 "[ . 1 . 2]" 1
167 1 20 VAL HB 1 32 LEU MD2 . . 4.080 2.912 2.527 3.384 . 0 0 "[ . 1 . 2]" 1
168 1 20 VAL HB 1 32 LEU HG . . 4.480 4.372 4.051 4.561 0.081 5 0 "[ . 1 . 2]" 1
169 1 20 VAL HB 1 52 THR HA . . 4.840 4.441 4.015 4.935 0.095 5 0 "[ . 1 . 2]" 1
170 1 20 VAL HB 1 53 GLY H . . 4.120 3.383 2.886 4.203 0.083 5 0 "[ . 1 . 2]" 1
171 1 20 VAL HB 1 53 GLY HA3 . . 4.400 3.251 2.895 4.410 0.010 5 0 "[ . 1 . 2]" 1
172 1 20 VAL QG 1 21 SER H . . 3.490 2.350 2.039 2.935 . 0 0 "[ . 1 . 2]" 1
173 1 20 VAL QG 1 21 SER HA . . 4.560 3.700 3.365 4.028 . 0 0 "[ . 1 . 2]" 1
174 1 20 VAL QG 1 23 LEU QD . . 3.840 2.039 1.845 2.255 . 0 0 "[ . 1 . 2]" 1
175 1 20 VAL QG 1 32 LEU MD2 . . 2.450 2.113 1.851 2.278 . 0 0 "[ . 1 . 2]" 1
176 1 20 VAL QG 1 32 LEU HG . . 3.790 3.460 2.328 3.657 . 0 0 "[ . 1 . 2]" 1
177 1 20 VAL QG 1 36 MET ME . . 3.770 2.618 2.018 3.574 . 0 0 "[ . 1 . 2]" 1
178 1 20 VAL QG 1 52 THR HA . . 5.480 4.108 2.512 4.505 . 0 0 "[ . 1 . 2]" 1
179 1 20 VAL QG 1 53 GLY H . . 4.450 3.846 2.096 4.103 . 0 0 "[ . 1 . 2]" 1
180 1 20 VAL QG 1 53 GLY HA3 . . 5.500 3.679 1.977 4.129 . 0 0 "[ . 1 . 2]" 1
181 1 20 VAL QG 1 55 VAL H . . 5.180 4.358 3.713 4.735 . 0 0 "[ . 1 . 2]" 1
182 1 20 VAL QG 1 55 VAL QG . . 2.450 2.160 1.909 2.495 0.045 10 0 "[ . 1 . 2]" 1
183 1 20 VAL QG 1 85 ILE HB . . 3.700 2.162 1.995 3.021 . 0 0 "[ . 1 . 2]" 1
184 1 20 VAL QG 1 85 ILE MD . . 3.050 2.038 1.859 2.346 . 0 0 "[ . 1 . 2]" 1
185 1 20 VAL QG 1 85 ILE HG13 . . 4.400 3.510 2.983 4.174 . 0 0 "[ . 1 . 2]" 1
186 1 20 VAL QG 1 85 ILE MG . . 3.540 2.547 2.178 3.034 . 0 0 "[ . 1 . 2]" 1
187 1 20 VAL QG 1 86 ARG H . . 4.470 3.184 2.690 4.246 . 0 0 "[ . 1 . 2]" 1
188 1 20 VAL QG 1 87 VAL HA . . 4.010 2.891 2.395 3.397 . 0 0 "[ . 1 . 2]" 1
189 1 21 SER H 1 22 GLY H . . 5.050 4.390 4.328 4.477 . 0 0 "[ . 1 . 2]" 1
190 1 21 SER H 1 23 LEU QD . . 5.500 3.696 2.854 4.303 . 0 0 "[ . 1 . 2]" 1
191 1 21 SER H 1 85 ILE HA . . 4.040 4.119 4.110 4.128 0.088 6 0 "[ . 1 . 2]" 1
192 1 21 SER H 1 85 ILE HB . . 4.400 3.224 2.830 3.661 . 0 0 "[ . 1 . 2]" 1
193 1 21 SER H 1 86 ARG H . . 3.460 2.429 2.294 2.712 . 0 0 "[ . 1 . 2]" 1
194 1 21 SER H 1 86 ARG HG3 . . 5.500 5.342 4.645 5.574 0.074 14 0 "[ . 1 . 2]" 1
195 1 21 SER H 1 87 VAL HA . . 5.020 4.052 3.661 4.575 . 0 0 "[ . 1 . 2]" 1
196 1 21 SER HA 1 22 GLY H . . 3.160 2.358 2.075 2.500 . 0 0 "[ . 1 . 2]" 1
197 1 21 SER HA 1 23 LEU H . . 4.160 3.305 3.082 3.532 . 0 0 "[ . 1 . 2]" 1
198 1 21 SER HA 1 23 LEU QD . . 4.990 3.108 2.476 3.724 . 0 0 "[ . 1 . 2]" 1
199 1 21 SER HA 1 52 THR H . . 5.390 4.781 4.507 5.070 . 0 0 "[ . 1 . 2]" 1
200 1 21 SER HA 1 52 THR HA . . 3.310 2.191 1.979 2.454 . 0 0 "[ . 1 . 2]" 1
201 1 21 SER HA 1 52 THR HB . . 4.510 4.154 3.447 4.586 0.076 17 0 "[ . 1 . 2]" 1
202 1 21 SER HA 1 52 THR MG . . 3.490 2.236 2.055 2.618 . 0 0 "[ . 1 . 2]" 1
203 1 21 SER HA 1 53 GLY H . . 4.770 3.845 3.473 4.153 . 0 0 "[ . 1 . 2]" 1
204 1 21 SER HB3 1 22 GLY H . . 3.410 3.108 2.436 3.842 0.432 10 0 "[ . 1 . 2]" 1
205 1 21 SER HB3 1 22 GLY QA . . 4.190 4.354 3.734 5.101 0.911 1 7 "[+ *.* **- . * 2]" 1
206 1 21 SER HB3 1 52 THR HA . . 5.200 4.247 3.631 5.137 . 0 0 "[ . 1 . 2]" 1
207 1 21 SER HB3 1 52 THR MG . . 3.710 2.611 1.980 3.807 0.097 20 0 "[ . 1 . 2]" 1
208 1 22 GLY H 1 23 LEU H . . 3.310 2.409 2.093 2.639 . 0 0 "[ . 1 . 2]" 1
209 1 22 GLY H 1 23 LEU QD . . 5.240 3.915 3.195 4.665 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLY H 1 52 THR HA . . 4.290 3.636 2.988 4.200 . 0 0 "[ . 1 . 2]" 1
211 1 22 GLY H 1 52 THR MG . . 4.720 3.247 2.592 3.971 . 0 0 "[ . 1 . 2]" 1
212 1 22 GLY QA 1 85 ILE HA . . 4.800 2.845 2.302 3.949 . 0 0 "[ . 1 . 2]" 1
213 1 22 GLY QA 1 85 ILE MG . . 4.600 3.346 2.990 3.841 . 0 0 "[ . 1 . 2]" 1
214 1 23 LEU H 1 23 LEU HB3 . . 4.080 3.506 3.349 3.577 . 0 0 "[ . 1 . 2]" 1
215 1 23 LEU H 1 23 LEU QD . . 4.060 2.670 2.031 3.253 . 0 0 "[ . 1 . 2]" 1
216 1 23 LEU H 1 23 LEU HG . . 3.680 3.200 2.451 3.768 0.088 15 0 "[ . 1 . 2]" 1
217 1 23 LEU H 1 24 PRO HD3 . . 5.190 5.079 4.885 5.234 0.044 15 0 "[ . 1 . 2]" 1
218 1 23 LEU H 1 51 GLY HA2 . . 4.070 2.998 2.643 3.539 . 0 0 "[ . 1 . 2]" 1
219 1 23 LEU H 1 51 GLY HA3 . . 4.150 3.893 3.348 4.231 0.081 6 0 "[ . 1 . 2]" 1
220 1 23 LEU H 1 52 THR HA . . 5.010 3.512 3.066 3.889 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU HA 1 23 LEU QD . . 3.310 2.196 1.965 2.785 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU HA 1 24 PRO HD3 . . 3.560 2.365 2.180 2.564 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU HA 1 75 PHE HB3 . . 5.140 4.364 3.922 4.720 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU HA 1 83 ALA MB . . 4.490 3.498 2.969 4.150 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU HA 1 85 ILE MG . . 3.920 2.400 2.073 2.709 . 0 0 "[ . 1 . 2]" 1
226 1 23 LEU HB3 1 24 PRO HD3 . . 4.170 3.765 3.532 4.273 0.103 6 0 "[ . 1 . 2]" 1
227 1 23 LEU HB3 1 51 GLY HA2 . . 4.870 3.934 3.322 4.835 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU HB3 1 52 THR HA . . 5.280 5.190 4.747 5.357 0.077 8 0 "[ . 1 . 2]" 1
229 1 23 LEU QD 1 24 PRO HD3 . . 3.960 2.899 2.507 3.300 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU QD 1 32 LEU HA . . 5.150 4.165 3.660 4.650 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU QD 1 32 LEU HB3 . . 5.290 4.932 4.655 5.134 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU QD 1 32 LEU MD2 . . 3.130 1.987 1.840 2.124 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU QD 1 32 LEU HG . . 4.300 3.689 3.294 4.005 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU QD 1 47 VAL QG . . 3.960 2.529 1.820 3.384 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU QD 1 51 GLY HA2 . . 5.500 4.150 3.581 4.944 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU QD 1 52 THR H . . 5.500 3.584 2.946 4.269 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU QD 1 52 THR HA . . 4.380 2.374 2.062 3.257 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU QD 1 53 GLY H . . 4.760 3.113 2.676 3.582 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU QD 1 53 GLY HA2 . . 4.660 3.911 3.237 4.626 . 0 0 "[ . 1 . 2]" 1
240 1 23 LEU QD 1 53 GLY HA3 . . 4.240 2.934 2.235 3.777 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU QD 1 75 PHE QD . . 3.520 2.926 2.606 3.375 . 0 0 "[ . 1 . 2]" 1
242 1 23 LEU QD 1 75 PHE QE . . 4.610 2.866 2.592 3.330 . 0 0 "[ . 1 . 2]" 1
243 1 23 LEU QD 1 83 ALA MB . . 4.730 4.153 3.280 4.655 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU QD 1 85 ILE HB . . 5.500 3.436 2.814 4.268 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU QD 1 85 ILE MD . . 4.430 3.002 2.677 3.776 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU QD 1 85 ILE MG . . 3.520 2.025 1.777 2.986 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU HG 1 85 ILE MD . . 5.500 4.667 3.613 5.591 0.091 10 0 "[ . 1 . 2]" 1
248 1 23 LEU HG 1 85 ILE MG . . 3.870 3.078 2.217 4.000 0.130 1 0 "[ . 1 . 2]" 1
249 1 24 PRO HD3 1 75 PHE QD . . 4.700 2.567 2.183 3.272 . 0 0 "[ . 1 . 2]" 1
250 1 24 PRO HD3 1 75 PHE QE . . 4.820 3.835 3.402 4.805 . 0 0 "[ . 1 . 2]" 1
251 1 24 PRO HD3 1 83 ALA H . . 5.310 3.767 3.309 4.034 . 0 0 "[ . 1 . 2]" 1
252 1 24 PRO HD3 1 83 ALA MB . . 4.300 2.292 1.996 2.790 . 0 0 "[ . 1 . 2]" 1
253 1 24 PRO HG3 1 26 SER H . . 4.710 4.507 3.940 5.363 0.653 18 2 "[ . 1 .- + 2]" 1
254 1 24 PRO HG3 1 27 GLY H . . 4.950 4.895 4.298 5.890 0.940 18 1 "[ . 1 . + 2]" 1
255 1 24 PRO HG3 1 75 PHE HB3 . . 4.230 4.169 3.198 4.310 0.080 19 0 "[ . 1 . 2]" 1
256 1 24 PRO HG3 1 75 PHE QE . . 3.750 2.777 2.320 3.926 0.176 16 0 "[ . 1 . 2]" 1
257 1 24 PRO HG3 1 83 ALA MB . . 5.080 3.296 2.338 3.979 . 0 0 "[ . 1 . 2]" 1
258 1 25 PRO HB3 1 26 SER H . . 4.350 4.445 4.059 4.604 0.254 10 0 "[ . 1 . 2]" 1
259 1 25 PRO HD3 1 83 ALA MB . . 5.500 4.804 4.024 5.582 0.082 5 0 "[ . 1 . 2]" 1
260 1 25 PRO HG3 1 26 SER H . . 4.550 4.408 3.753 4.621 0.071 10 0 "[ . 1 . 2]" 1
261 1 26 SER H 1 27 GLY H . . 3.330 2.893 2.149 3.380 0.050 19 0 "[ . 1 . 2]" 1
262 1 26 SER HB3 1 79 GLU HB3 . . 4.230 4.195 2.933 5.369 1.139 19 2 "[ - . 1 . +2]" 1
263 1 27 GLY H 1 28 SER H . . 4.250 4.215 3.738 4.344 0.094 11 0 "[ . 1 . 2]" 1
264 1 27 GLY H 1 75 PHE QE . . 5.500 4.397 3.875 5.124 . 0 0 "[ . 1 . 2]" 1
265 1 27 GLY HA2 1 28 SER HA . . 5.110 4.460 4.396 4.681 . 0 0 "[ . 1 . 2]" 1
266 1 27 GLY HA2 1 75 PHE QE . . 3.480 2.676 2.151 4.103 0.623 15 1 "[ . 1 + 2]" 1
267 1 27 GLY HA3 1 28 SER H . . 3.350 3.162 2.457 3.607 0.257 17 0 "[ . 1 . 2]" 1
268 1 27 GLY HA3 1 28 SER HA . . 4.370 4.486 4.158 4.740 0.370 20 0 "[ . 1 . 2]" 1
269 1 27 GLY HA3 1 75 PHE QE . . 4.130 2.475 2.231 3.242 . 0 0 "[ . 1 . 2]" 1
270 1 28 SER H 1 31 ASP H . . 4.130 3.741 3.065 4.073 . 0 0 "[ . 1 . 2]" 1
271 1 28 SER H 1 31 ASP HB3 . . 4.470 4.349 3.828 4.551 0.081 9 0 "[ . 1 . 2]" 1
272 1 28 SER H 1 32 LEU H . . 5.130 4.251 3.344 5.020 . 0 0 "[ . 1 . 2]" 1
273 1 28 SER H 1 47 VAL QG . . 5.500 3.844 2.960 4.797 . 0 0 "[ . 1 . 2]" 1
274 1 28 SER HA 1 29 TRP H . . 3.100 2.529 2.269 2.694 . 0 0 "[ . 1 . 2]" 1
275 1 28 SER HA 1 30 GLN H . . 4.880 4.295 3.980 4.736 . 0 0 "[ . 1 . 2]" 1
276 1 28 SER HA 1 47 VAL HB . . 4.170 3.380 2.228 4.270 0.100 16 0 "[ . 1 . 2]" 1
277 1 28 SER HA 1 47 VAL QG . . 4.150 2.413 1.825 3.747 . 0 0 "[ . 1 . 2]" 1
278 1 28 SER HB3 1 29 TRP H . . 3.260 2.582 2.022 3.795 0.535 5 1 "[ + 1 . 2]" 1
279 1 28 SER HB3 1 29 TRP HE1 . . 5.500 4.925 3.544 6.008 0.508 5 1 "[ + 1 . 2]" 1
280 1 28 SER HB3 1 30 GLN H . . 3.840 3.145 2.467 4.162 0.322 5 0 "[ . 1 . 2]" 1
281 1 29 TRP H 1 29 TRP HD1 . . 3.240 2.729 2.433 3.119 . 0 0 "[ . 1 . 2]" 1
282 1 29 TRP H 1 30 GLN H . . 3.620 2.723 2.555 2.905 . 0 0 "[ . 1 . 2]" 1
283 1 29 TRP H 1 47 VAL H . . 4.940 3.850 3.211 4.493 . 0 0 "[ . 1 . 2]" 1
284 1 29 TRP H 1 47 VAL HB . . 5.170 3.615 2.265 5.200 0.030 16 0 "[ . 1 . 2]" 1
285 1 29 TRP H 1 47 VAL QG . . 4.100 2.754 1.964 3.514 . 0 0 "[ . 1 . 2]" 1
286 1 29 TRP HA 1 32 LEU H . . 4.170 3.235 2.982 3.577 . 0 0 "[ . 1 . 2]" 1
287 1 29 TRP HA 1 32 LEU HB3 . . 3.600 2.473 2.263 2.876 . 0 0 "[ . 1 . 2]" 1
288 1 29 TRP HA 1 32 LEU HG . . 4.750 3.550 3.261 4.145 . 0 0 "[ . 1 . 2]" 1
289 1 29 TRP HA 1 33 LYS H . . 5.500 3.789 3.636 3.899 . 0 0 "[ . 1 . 2]" 1
290 1 29 TRP HA 1 46 ASP HA . . 4.520 4.456 4.087 4.600 0.080 13 0 "[ . 1 . 2]" 1
291 1 29 TRP HA 1 47 VAL QG . . 3.360 2.128 2.034 2.551 . 0 0 "[ . 1 . 2]" 1
292 1 29 TRP HB3 1 29 TRP HD1 . . 3.750 2.539 2.469 2.598 . 0 0 "[ . 1 . 2]" 1
293 1 29 TRP HB3 1 29 TRP HE1 . . 5.140 4.715 4.681 4.763 . 0 0 "[ . 1 . 2]" 1
294 1 29 TRP HB3 1 30 GLN H . . 5.450 4.230 4.141 4.376 . 0 0 "[ . 1 . 2]" 1
295 1 29 TRP HB3 1 45 ALA HA . . 5.100 5.043 4.714 5.559 0.459 17 0 "[ . 1 . 2]" 1
296 1 29 TRP HB3 1 45 ALA MB . . 4.330 3.508 3.159 3.865 . 0 0 "[ . 1 . 2]" 1
297 1 29 TRP HB3 1 46 ASP HA . . 4.470 2.344 2.076 2.620 . 0 0 "[ . 1 . 2]" 1
298 1 29 TRP HB3 1 47 VAL H . . 4.360 2.488 2.079 2.882 . 0 0 "[ . 1 . 2]" 1
299 1 29 TRP HB3 1 47 VAL QG . . 4.070 2.491 2.105 3.015 . 0 0 "[ . 1 . 2]" 1
300 1 29 TRP HD1 1 46 ASP HA . . 3.350 3.262 2.784 3.436 0.086 16 0 "[ . 1 . 2]" 1
301 1 29 TRP HD1 1 47 VAL H . . 5.500 2.729 2.378 3.509 . 0 0 "[ . 1 . 2]" 1
302 1 29 TRP HD1 1 47 VAL QG . . 4.570 3.567 2.288 4.395 . 0 0 "[ . 1 . 2]" 1
303 1 29 TRP HE3 1 30 GLN H . . 5.150 3.468 3.217 3.785 . 0 0 "[ . 1 . 2]" 1
304 1 29 TRP HE3 1 30 GLN HA . . 2.810 2.535 2.250 2.865 0.055 2 0 "[ . 1 . 2]" 1
305 1 29 TRP HE3 1 30 GLN HE21 . . 5.270 4.975 3.394 5.350 0.080 13 0 "[ . 1 . 2]" 1
306 1 29 TRP HE3 1 30 GLN HG3 . . 4.000 4.506 3.381 5.483 1.483 18 9 "[* *.** 1- ** +*2]" 1
307 1 29 TRP HE3 1 33 LYS HB3 . . 3.700 4.319 3.960 4.654 0.954 7 14 "[*** **+-*1** ** * *]" 1
308 1 29 TRP HE3 1 45 ALA MB . . 2.990 2.951 2.494 3.096 0.106 19 0 "[ . 1 . 2]" 1
309 1 29 TRP HZ3 1 30 GLN HB3 . . 5.380 5.189 4.648 5.639 0.259 14 0 "[ . 1 . 2]" 1
310 1 29 TRP HZ3 1 33 LYS HB3 . . 5.500 5.133 4.608 5.484 . 0 0 "[ . 1 . 2]" 1
311 1 29 TRP HZ3 1 45 ALA MB . . 5.500 4.713 4.006 5.091 . 0 0 "[ . 1 . 2]" 1
312 1 30 GLN H 1 30 GLN HB3 . . 3.450 2.810 2.562 3.429 . 0 0 "[ . 1 . 2]" 1
313 1 30 GLN H 1 30 GLN HG3 . . 4.770 4.256 3.279 4.579 . 0 0 "[ . 1 . 2]" 1
314 1 30 GLN H 1 33 LYS H . . 5.010 4.690 4.485 4.809 . 0 0 "[ . 1 . 2]" 1
315 1 30 GLN H 1 47 VAL QG . . 5.490 4.364 3.920 5.003 . 0 0 "[ . 1 . 2]" 1
316 1 30 GLN HA 1 30 GLN HG3 . . 4.040 2.958 2.197 3.770 . 0 0 "[ . 1 . 2]" 1
317 1 30 GLN HA 1 33 LYS H . . 4.200 3.626 3.342 3.837 . 0 0 "[ . 1 . 2]" 1
318 1 30 GLN HA 1 33 LYS HB3 . . 3.890 3.654 2.952 3.989 0.099 7 0 "[ . 1 . 2]" 1
319 1 30 GLN HA 1 34 ASP H . . 4.770 4.263 3.869 4.627 . 0 0 "[ . 1 . 2]" 1
320 1 30 GLN HB3 1 30 GLN HE22 . . 5.090 4.264 3.595 5.030 . 0 0 "[ . 1 . 2]" 1
321 1 30 GLN HB3 1 31 ASP H . . 3.790 2.441 2.272 2.808 . 0 0 "[ . 1 . 2]" 1
322 1 31 ASP H 1 31 ASP HB3 . . 3.800 3.459 3.034 3.638 . 0 0 "[ . 1 . 2]" 1
323 1 31 ASP H 1 32 LEU H . . 3.390 2.673 2.432 2.831 . 0 0 "[ . 1 . 2]" 1
324 1 31 ASP HA 1 33 LYS H . . 5.500 4.569 4.322 4.786 . 0 0 "[ . 1 . 2]" 1
325 1 31 ASP HA 1 34 ASP H . . 4.180 3.368 3.097 3.668 . 0 0 "[ . 1 . 2]" 1
326 1 31 ASP HA 1 34 ASP HB3 . . 4.020 2.974 2.193 4.094 0.074 16 0 "[ . 1 . 2]" 1
327 1 31 ASP HB3 1 32 LEU H . . 3.970 3.418 2.768 3.896 . 0 0 "[ . 1 . 2]" 1
328 1 31 ASP HB3 1 75 PHE QE . . 4.110 3.276 2.761 3.999 . 0 0 "[ . 1 . 2]" 1
329 1 31 ASP HB3 1 77 SER HA . . 5.250 4.239 2.964 4.800 . 0 0 "[ . 1 . 2]" 1
330 1 32 LEU H 1 32 LEU HB3 . . 3.250 2.919 2.785 3.108 . 0 0 "[ . 1 . 2]" 1
331 1 32 LEU H 1 32 LEU MD2 . . 4.510 3.795 3.631 3.957 . 0 0 "[ . 1 . 2]" 1
332 1 32 LEU H 1 32 LEU HG . . 5.380 4.572 4.476 4.686 . 0 0 "[ . 1 . 2]" 1
333 1 32 LEU H 1 33 LYS H . . 3.730 2.946 2.674 3.104 . 0 0 "[ . 1 . 2]" 1
334 1 32 LEU H 1 45 ALA MB . . 5.500 4.816 4.385 5.564 0.064 3 0 "[ . 1 . 2]" 1
335 1 32 LEU H 1 75 PHE QE . . 5.100 3.374 2.597 4.222 . 0 0 "[ . 1 . 2]" 1
336 1 32 LEU HA 1 32 LEU MD2 . . 3.170 2.154 2.009 2.285 . 0 0 "[ . 1 . 2]" 1
337 1 32 LEU HA 1 32 LEU HG . . 4.130 3.754 3.695 3.886 . 0 0 "[ . 1 . 2]" 1
338 1 32 LEU HA 1 35 HIS HB3 . . 4.240 3.395 2.581 4.279 0.039 9 0 "[ . 1 . 2]" 1
339 1 32 LEU HA 1 36 MET H . . 5.060 3.691 3.232 4.117 . 0 0 "[ . 1 . 2]" 1
340 1 32 LEU HA 1 75 PHE QE . . 2.920 2.122 1.982 2.319 . 0 0 "[ . 1 . 2]" 1
341 1 32 LEU HB3 1 32 LEU MD2 . . 3.460 3.229 3.189 3.269 . 0 0 "[ . 1 . 2]" 1
342 1 32 LEU HB3 1 33 LYS H . . 4.070 2.415 2.164 2.665 . 0 0 "[ . 1 . 2]" 1
343 1 32 LEU HB3 1 47 VAL QG . . 4.290 3.121 2.710 3.489 . 0 0 "[ . 1 . 2]" 1
344 1 32 LEU MD1 1 36 MET H . . 5.260 3.181 2.830 3.459 . 0 0 "[ . 1 . 2]" 1
345 1 32 LEU MD1 1 36 MET HB3 . . 3.430 2.509 2.129 3.028 . 0 0 "[ . 1 . 2]" 1
346 1 32 LEU MD2 1 35 HIS H . . 5.330 5.135 4.722 5.361 0.031 5 0 "[ . 1 . 2]" 1
347 1 32 LEU MD2 1 35 HIS HB3 . . 4.190 4.091 3.551 4.306 0.116 14 0 "[ . 1 . 2]" 1
348 1 32 LEU MD2 1 36 MET H . . 5.350 4.450 4.119 4.691 . 0 0 "[ . 1 . 2]" 1
349 1 32 LEU MD2 1 36 MET HA . . 5.500 5.537 5.281 5.613 0.113 13 0 "[ . 1 . 2]" 1
350 1 32 LEU MD2 1 47 VAL QG . . 2.470 2.542 2.317 2.603 0.133 17 0 "[ . 1 . 2]" 1
351 1 32 LEU MD2 1 75 PHE QD . . 3.460 3.038 2.342 3.571 0.111 8 0 "[ . 1 . 2]" 1
352 1 32 LEU MD2 1 75 PHE QE . . 3.400 2.443 2.061 3.041 . 0 0 "[ . 1 . 2]" 1
353 1 32 LEU HG 1 46 ASP H . . 4.440 4.418 4.177 4.526 0.086 3 0 "[ . 1 . 2]" 1
354 1 32 LEU HG 1 53 GLY HA2 . . 5.150 5.219 5.175 5.245 0.095 3 0 "[ . 1 . 2]" 1
355 1 32 LEU HG 1 53 GLY HA3 . . 4.140 3.847 3.570 4.127 . 0 0 "[ . 1 . 2]" 1
356 1 33 LYS H 1 33 LYS HB3 . . 3.340 2.816 2.534 2.976 . 0 0 "[ . 1 . 2]" 1
357 1 33 LYS HA 1 35 HIS H . . 4.420 3.998 3.635 4.290 . 0 0 "[ . 1 . 2]" 1
358 1 33 LYS HA 1 36 MET H . . 4.340 3.539 3.096 4.115 . 0 0 "[ . 1 . 2]" 1
359 1 33 LYS HA 1 42 VAL QG . . 3.760 3.280 2.750 3.687 . 0 0 "[ . 1 . 2]" 1
360 1 33 LYS HA 1 45 ALA MB . . 4.410 3.302 2.876 3.871 . 0 0 "[ . 1 . 2]" 1
361 1 33 LYS HB3 1 34 ASP H . . 3.720 2.846 2.598 3.035 . 0 0 "[ . 1 . 2]" 1
362 1 33 LYS HB3 1 45 ALA MB . . 4.060 3.572 3.297 3.898 . 0 0 "[ . 1 . 2]" 1
363 1 34 ASP H 1 34 ASP HB3 . . 3.400 2.951 2.221 3.459 0.059 18 0 "[ . 1 . 2]" 1
364 1 34 ASP H 1 35 HIS H . . 3.370 2.577 2.368 2.781 . 0 0 "[ . 1 . 2]" 1
365 1 34 ASP HA 1 37 ARG HB3 . . 4.450 4.221 3.835 4.517 0.067 11 0 "[ . 1 . 2]" 1
366 1 34 ASP HB3 1 35 HIS H . . 3.900 3.300 2.628 3.977 0.077 16 0 "[ . 1 . 2]" 1
367 1 35 HIS H 1 35 HIS HB3 . . 3.820 2.860 2.298 3.508 . 0 0 "[ . 1 . 2]" 1
368 1 35 HIS HB3 1 36 MET H . . 4.330 2.661 2.276 3.233 . 0 0 "[ . 1 . 2]" 1
369 1 35 HIS HB3 1 36 MET HA . . 4.490 4.137 3.509 4.733 0.243 17 0 "[ . 1 . 2]" 1
370 1 35 HIS HB3 1 75 PHE QD . . 5.160 3.367 2.584 4.103 . 0 0 "[ . 1 . 2]" 1
371 1 36 MET H 1 36 MET HB3 . . 4.050 2.503 2.372 2.587 . 0 0 "[ . 1 . 2]" 1
372 1 36 MET H 1 42 VAL QG . . 5.350 4.556 4.015 4.921 . 0 0 "[ . 1 . 2]" 1
373 1 36 MET HA 1 36 MET HG3 . . 4.250 2.374 2.250 2.805 . 0 0 "[ . 1 . 2]" 1
374 1 36 MET HA 1 38 GLU H . . 4.320 3.539 3.162 4.073 . 0 0 "[ . 1 . 2]" 1
375 1 36 MET HA 1 39 ALA MB . . 5.210 4.847 4.360 5.295 0.085 7 0 "[ . 1 . 2]" 1
376 1 36 MET HA 1 70 LEU QD . . 5.500 2.303 1.976 3.104 . 0 0 "[ . 1 . 2]" 1
377 1 36 MET HA 1 70 LEU HG . . 3.470 3.491 3.195 3.564 0.094 13 0 "[ . 1 . 2]" 1
378 1 36 MET HB3 1 42 VAL QG . . 4.500 3.026 2.340 3.590 . 0 0 "[ . 1 . 2]" 1
379 1 36 MET HB3 1 55 VAL QG . . 3.670 3.315 2.960 3.552 . 0 0 "[ . 1 . 2]" 1
380 1 36 MET HB3 1 57 PHE QE . . 5.170 4.328 3.549 5.233 0.063 19 0 "[ . 1 . 2]" 1
381 1 36 MET ME 1 36 MET HG3 . . 2.400 2.383 2.218 2.498 0.098 12 0 "[ . 1 . 2]" 1
382 1 36 MET ME 1 55 VAL H . . 5.500 5.419 4.521 5.600 0.100 2 0 "[ . 1 . 2]" 1
383 1 36 MET ME 1 55 VAL QG . . 4.050 2.707 2.078 3.001 . 0 0 "[ . 1 . 2]" 1
384 1 36 MET ME 1 57 PHE QE . . 3.190 2.372 1.996 3.277 0.087 8 0 "[ . 1 . 2]" 1
385 1 36 MET ME 1 66 ALA MB . . 3.950 2.540 2.007 3.140 . 0 0 "[ . 1 . 2]" 1
386 1 36 MET ME 1 70 LEU HB3 . . 5.500 3.754 2.921 4.554 . 0 0 "[ . 1 . 2]" 1
387 1 36 MET ME 1 70 LEU HG . . 3.820 3.752 3.293 3.933 0.113 13 0 "[ . 1 . 2]" 1
388 1 36 MET HG3 1 39 ALA MB . . 5.500 4.147 3.717 4.657 . 0 0 "[ . 1 . 2]" 1
389 1 36 MET HG3 1 42 VAL QG . . 3.920 3.729 3.291 3.902 . 0 0 "[ . 1 . 2]" 1
390 1 36 MET HG3 1 55 VAL QG . . 5.240 3.892 3.254 4.318 . 0 0 "[ . 1 . 2]" 1
391 1 36 MET HG3 1 57 PHE QE . . 4.470 3.507 2.071 4.393 . 0 0 "[ . 1 . 2]" 1
392 1 36 MET HG3 1 70 LEU HG . . 5.230 3.220 2.670 4.138 . 0 0 "[ . 1 . 2]" 1
393 1 37 ARG H 1 37 ARG HB3 . . 3.200 2.930 2.331 3.288 0.088 18 0 "[ . 1 . 2]" 1
394 1 37 ARG H 1 37 ARG HG3 . . 4.040 3.247 1.783 4.103 0.063 14 0 "[ . 1 . 2]" 1
395 1 37 ARG H 1 38 GLU H . . 3.130 2.398 1.749 3.185 0.055 1 0 "[ . 1 . 2]" 1
396 1 37 ARG H 1 42 VAL QG . . 4.730 4.076 3.058 4.628 . 0 0 "[ . 1 . 2]" 1
397 1 37 ARG HA 1 42 VAL H . . 4.310 4.219 3.345 4.386 0.076 18 0 "[ . 1 . 2]" 1
398 1 37 ARG HA 1 42 VAL QG . . 3.660 2.476 2.052 2.869 . 0 0 "[ . 1 . 2]" 1
399 1 37 ARG HB3 1 38 GLU H . . 4.510 4.447 4.217 4.584 0.074 1 0 "[ . 1 . 2]" 1
400 1 37 ARG HB3 1 42 VAL QG . . 5.180 3.533 2.381 4.156 . 0 0 "[ . 1 . 2]" 1
401 1 37 ARG HG3 1 38 GLU H . . 4.940 4.043 3.052 5.797 0.857 15 1 "[ . 1 + 2]" 1
402 1 38 GLU H 1 38 GLU HB3 . . 3.130 2.937 2.601 3.198 0.068 19 0 "[ . 1 . 2]" 1
403 1 38 GLU H 1 38 GLU HG3 . . 4.200 4.090 3.585 4.326 0.126 5 0 "[ . 1 . 2]" 1
404 1 38 GLU H 1 39 ALA H . . 3.910 2.649 1.968 3.052 . 0 0 "[ . 1 . 2]" 1
405 1 38 GLU H 1 39 ALA MB . . 4.500 4.189 3.479 4.577 0.077 8 0 "[ . 1 . 2]" 1
406 1 38 GLU H 1 40 GLY H . . 5.340 4.517 4.027 5.277 . 0 0 "[ . 1 . 2]" 1
407 1 38 GLU H 1 42 VAL QG . . 5.500 4.774 3.945 5.151 . 0 0 "[ . 1 . 2]" 1
408 1 38 GLU H 1 70 LEU QD . . 5.500 3.068 2.463 3.653 . 0 0 "[ . 1 . 2]" 1
409 1 38 GLU H 1 70 LEU HG . . 4.650 4.068 3.591 4.429 . 0 0 "[ . 1 . 2]" 1
410 1 38 GLU HA 1 38 GLU HG3 . . 3.910 2.533 2.261 3.483 . 0 0 "[ . 1 . 2]" 1
411 1 38 GLU HA 1 39 ALA H . . 3.340 3.364 3.213 3.424 0.084 14 0 "[ . 1 . 2]" 1
412 1 38 GLU HA 1 39 ALA MB . . 5.500 4.899 4.706 4.982 . 0 0 "[ . 1 . 2]" 1
413 1 38 GLU HB3 1 39 ALA H . . 4.240 3.385 2.453 3.890 . 0 0 "[ . 1 . 2]" 1
414 1 38 GLU HB3 1 40 GLY H . . 5.240 5.216 4.723 5.328 0.088 3 0 "[ . 1 . 2]" 1
415 1 38 GLU HB3 1 70 LEU QD . . 3.730 2.277 1.997 3.431 . 0 0 "[ . 1 . 2]" 1
416 1 38 GLU HB3 1 70 LEU HG . . 4.520 4.008 2.999 4.581 0.061 5 0 "[ . 1 . 2]" 1
417 1 38 GLU HG3 1 70 LEU QD . . 5.420 4.462 4.120 5.438 0.018 18 0 "[ . 1 . 2]" 1
418 1 39 ALA H 1 39 ALA MB . . 3.140 2.313 2.198 2.533 . 0 0 "[ . 1 . 2]" 1
419 1 39 ALA H 1 40 GLY H . . 2.940 2.571 2.142 3.009 0.069 2 0 "[ . 1 . 2]" 1
420 1 39 ALA H 1 70 LEU QD . . 5.500 3.431 2.785 4.068 . 0 0 "[ . 1 . 2]" 1
421 1 39 ALA H 1 70 LEU HG . . 3.880 3.557 2.896 3.955 0.075 9 0 "[ . 1 . 2]" 1
422 1 39 ALA HA 1 65 TYR QD . . 2.490 2.345 2.096 2.550 0.060 20 0 "[ . 1 . 2]" 1
423 1 39 ALA HA 1 65 TYR QE . . 4.210 2.608 2.057 3.165 . 0 0 "[ . 1 . 2]" 1
424 1 39 ALA HA 1 66 ALA MB . . 5.500 4.603 4.283 4.985 . 0 0 "[ . 1 . 2]" 1
425 1 39 ALA HA 1 70 LEU QD . . 5.000 4.053 3.426 4.729 . 0 0 "[ . 1 . 2]" 1
426 1 39 ALA HA 1 70 LEU HG . . 5.050 4.743 3.965 5.132 0.082 13 0 "[ . 1 . 2]" 1
427 1 39 ALA MB 1 40 GLY H . . 3.720 3.377 2.923 3.740 0.020 15 0 "[ . 1 . 2]" 1
428 1 39 ALA MB 1 40 GLY HA3 . . 5.460 4.130 3.681 4.442 . 0 0 "[ . 1 . 2]" 1
429 1 39 ALA MB 1 62 ASP HA . . 5.410 4.218 3.890 4.915 . 0 0 "[ . 1 . 2]" 1
430 1 39 ALA MB 1 62 ASP HB3 . . 5.050 4.083 3.539 4.469 . 0 0 "[ . 1 . 2]" 1
431 1 39 ALA MB 1 65 TYR QD . . 2.570 2.215 2.024 2.668 0.098 17 0 "[ . 1 . 2]" 1
432 1 39 ALA MB 1 65 TYR QE . . 5.100 3.591 2.953 4.000 . 0 0 "[ . 1 . 2]" 1
433 1 39 ALA MB 1 66 ALA H . . 3.820 2.923 2.583 3.190 . 0 0 "[ . 1 . 2]" 1
434 1 39 ALA MB 1 66 ALA HA . . 3.590 2.200 2.025 2.438 . 0 0 "[ . 1 . 2]" 1
435 1 39 ALA MB 1 70 LEU HB3 . . 2.400 3.116 2.315 3.521 1.121 14 14 "[ -* ****** *+** **]" 1
436 1 39 ALA MB 1 70 LEU QD . . 4.790 2.715 2.445 3.011 . 0 0 "[ . 1 . 2]" 1
437 1 39 ALA MB 1 70 LEU HG . . 3.650 2.531 2.101 2.892 . 0 0 "[ . 1 . 2]" 1
438 1 40 GLY H 1 41 ASP H . . 4.760 4.175 3.668 4.631 . 0 0 "[ . 1 . 2]" 1
439 1 40 GLY H 1 42 VAL QG . . 5.500 4.578 3.738 5.235 . 0 0 "[ . 1 . 2]" 1
440 1 40 GLY H 1 70 LEU QD . . 5.500 5.287 4.884 5.627 0.127 18 0 "[ . 1 . 2]" 1
441 1 40 GLY HA3 1 41 ASP H . . 3.070 2.304 2.164 2.614 . 0 0 "[ . 1 . 2]" 1
442 1 40 GLY HA3 1 62 ASP HB3 . . 4.520 2.607 2.090 3.178 . 0 0 "[ . 1 . 2]" 1
443 1 41 ASP H 1 41 ASP HA . . 2.900 2.916 2.788 2.966 0.066 9 0 "[ . 1 . 2]" 1
444 1 41 ASP H 1 42 VAL H . . 5.020 4.346 4.015 4.674 . 0 0 "[ . 1 . 2]" 1
445 1 41 ASP H 1 42 VAL QG . . 4.500 4.243 3.592 4.517 0.017 4 0 "[ . 1 . 2]" 1
446 1 41 ASP H 1 58 VAL H . . 4.870 4.454 3.863 4.949 0.079 19 0 "[ . 1 . 2]" 1
447 1 41 ASP H 1 58 VAL QG . . 5.240 3.669 2.729 4.900 . 0 0 "[ . 1 . 2]" 1
448 1 41 ASP H 1 62 ASP HB3 . . 5.170 2.952 2.442 3.756 . 0 0 "[ . 1 . 2]" 1
449 1 41 ASP HA 1 42 VAL H . . 2.740 2.232 2.067 2.530 . 0 0 "[ . 1 . 2]" 1
450 1 41 ASP HA 1 42 VAL HB . . 4.830 4.494 4.181 4.742 . 0 0 "[ . 1 . 2]" 1
451 1 41 ASP HA 1 42 VAL QG . . 4.900 3.397 2.929 3.992 . 0 0 "[ . 1 . 2]" 1
452 1 42 VAL H 1 42 VAL HB . . 3.170 2.761 2.280 3.265 0.095 14 0 "[ . 1 . 2]" 1
453 1 42 VAL H 1 42 VAL QG . . 3.530 2.517 2.166 2.869 . 0 0 "[ . 1 . 2]" 1
454 1 42 VAL HA 1 42 VAL QG . . 3.300 2.210 2.045 2.473 . 0 0 "[ . 1 . 2]" 1
455 1 42 VAL HA 1 43 CYS H . . 2.970 2.220 2.099 2.330 . 0 0 "[ . 1 . 2]" 1
456 1 42 VAL HA 1 43 CYS HB3 . . 4.960 4.760 4.142 5.334 0.374 5 0 "[ . 1 . 2]" 1
457 1 42 VAL HA 1 44 TYR H . . 4.150 3.895 3.414 4.220 0.070 13 0 "[ . 1 . 2]" 1
458 1 42 VAL HA 1 55 VAL QG . . 5.180 4.238 3.660 4.625 . 0 0 "[ . 1 . 2]" 1
459 1 42 VAL HA 1 57 PHE H . . 5.380 4.951 4.724 5.236 . 0 0 "[ . 1 . 2]" 1
460 1 42 VAL HA 1 57 PHE HA . . 3.240 2.155 1.917 2.416 . 0 0 "[ . 1 . 2]" 1
461 1 42 VAL HA 1 58 VAL H . . 4.220 3.537 2.922 4.044 . 0 0 "[ . 1 . 2]" 1
462 1 42 VAL HA 1 58 VAL QG . . 4.760 3.430 2.593 4.084 . 0 0 "[ . 1 . 2]" 1
463 1 42 VAL HB 1 43 CYS H . . 4.790 4.147 3.808 4.514 . 0 0 "[ . 1 . 2]" 1
464 1 42 VAL QG 1 43 CYS H . . 3.880 2.745 2.301 3.539 . 0 0 "[ . 1 . 2]" 1
465 1 42 VAL QG 1 44 TYR H . . 3.560 2.534 1.977 3.360 . 0 0 "[ . 1 . 2]" 1
466 1 42 VAL QG 1 44 TYR HA . . 5.090 4.365 3.958 4.828 . 0 0 "[ . 1 . 2]" 1
467 1 42 VAL QG 1 45 ALA H . . 5.500 4.726 4.251 5.131 . 0 0 "[ . 1 . 2]" 1
468 1 42 VAL QG 1 45 ALA HA . . 5.300 4.011 3.742 4.265 . 0 0 "[ . 1 . 2]" 1
469 1 42 VAL QG 1 45 ALA MB . . 3.510 3.293 2.864 3.587 0.077 5 0 "[ . 1 . 2]" 1
470 1 42 VAL QG 1 55 VAL HA . . 5.500 4.065 3.709 4.301 . 0 0 "[ . 1 . 2]" 1
471 1 42 VAL QG 1 55 VAL QG . . 3.290 1.958 1.885 2.181 . 0 0 "[ . 1 . 2]" 1
472 1 42 VAL QG 1 56 GLU H . . 4.720 2.915 2.521 3.316 . 0 0 "[ . 1 . 2]" 1
473 1 42 VAL QG 1 57 PHE H . . 5.500 4.293 3.894 4.849 . 0 0 "[ . 1 . 2]" 1
474 1 42 VAL QG 1 57 PHE HA . . 4.820 2.896 2.395 3.457 . 0 0 "[ . 1 . 2]" 1
475 1 42 VAL QG 1 57 PHE HD1 . . 3.430 2.640 2.180 3.140 . 0 0 "[ . 1 . 2]" 1
476 1 42 VAL QG 1 57 PHE QE . . 3.910 2.538 2.283 2.820 . 0 0 "[ . 1 . 2]" 1
477 1 43 CYS H 1 44 TYR H . . 3.040 2.306 1.990 2.757 . 0 0 "[ . 1 . 2]" 1
478 1 43 CYS H 1 57 PHE HA . . 3.760 2.898 2.511 3.179 . 0 0 "[ . 1 . 2]" 1
479 1 43 CYS H 1 58 VAL H . . 4.500 4.274 3.340 4.575 0.075 10 0 "[ . 1 . 2]" 1
480 1 43 CYS H 1 58 VAL QG . . 4.670 3.439 2.723 4.147 . 0 0 "[ . 1 . 2]" 1
481 1 43 CYS HB3 1 44 TYR H . . 5.070 3.311 2.375 4.111 . 0 0 "[ . 1 . 2]" 1
482 1 43 CYS HB3 1 57 PHE HA . . 4.950 4.861 4.181 5.389 0.439 5 0 "[ . 1 . 2]" 1
483 1 43 CYS HB3 1 58 VAL QG . . 4.090 3.572 2.162 4.114 0.024 13 0 "[ . 1 . 2]" 1
484 1 44 TYR H 1 44 TYR QD . . 5.140 4.167 4.048 4.363 . 0 0 "[ . 1 . 2]" 1
485 1 44 TYR H 1 45 ALA H . . 5.170 4.448 4.166 4.728 . 0 0 "[ . 1 . 2]" 1
486 1 44 TYR HA 1 44 TYR QD . . 3.520 3.097 2.376 3.415 . 0 0 "[ . 1 . 2]" 1
487 1 44 TYR HA 1 45 ALA H . . 2.970 2.353 2.202 2.613 . 0 0 "[ . 1 . 2]" 1
488 1 44 TYR HB3 1 45 ALA H . . 4.420 3.979 3.634 4.144 . 0 0 "[ . 1 . 2]" 1
489 1 44 TYR HB3 1 56 GLU H . . 5.150 2.431 2.163 2.934 . 0 0 "[ . 1 . 2]" 1
490 1 44 TYR QD 1 45 ALA H . . 4.630 3.267 2.459 3.507 . 0 0 "[ . 1 . 2]" 1
491 1 44 TYR QD 1 45 ALA HA . . 3.840 3.014 2.498 3.938 0.098 11 0 "[ . 1 . 2]" 1
492 1 44 TYR QD 1 46 ASP H . . 5.440 3.918 3.411 4.458 . 0 0 "[ . 1 . 2]" 1
493 1 44 TYR QD 1 55 VAL HA . . 3.570 2.254 2.057 2.703 . 0 0 "[ . 1 . 2]" 1
494 1 44 TYR QD 1 56 GLU H . . 5.470 2.716 2.381 3.013 . 0 0 "[ . 1 . 2]" 1
495 1 44 TYR QE 1 45 ALA HA . . 4.870 4.103 3.474 4.800 . 0 0 "[ . 1 . 2]" 1
496 1 44 TYR QE 1 46 ASP H . . 4.100 3.585 3.049 4.195 0.095 3 0 "[ . 1 . 2]" 1
497 1 44 TYR QE 1 54 VAL QG . . 2.750 2.354 2.022 2.868 0.118 12 0 "[ . 1 . 2]" 1
498 1 44 TYR QE 1 55 VAL HA . . 3.500 3.507 3.162 3.603 0.103 8 0 "[ . 1 . 2]" 1
499 1 45 ALA H 1 45 ALA MB . . 3.420 2.748 2.644 2.900 . 0 0 "[ . 1 . 2]" 1
500 1 45 ALA H 1 46 ASP H . . 5.010 4.202 3.987 4.349 . 0 0 "[ . 1 . 2]" 1
501 1 45 ALA HA 1 46 ASP H . . 2.950 2.285 2.190 2.373 . 0 0 "[ . 1 . 2]" 1
502 1 45 ALA HA 1 54 VAL QG . . 4.970 4.886 4.395 5.091 0.121 11 0 "[ . 1 . 2]" 1
503 1 45 ALA HA 1 55 VAL HA . . 3.740 2.720 2.262 3.725 . 0 0 "[ . 1 . 2]" 1
504 1 45 ALA HA 1 55 VAL QG . . 4.160 2.663 2.274 3.366 . 0 0 "[ . 1 . 2]" 1
505 1 45 ALA MB 1 46 ASP H . . 3.480 3.047 2.772 3.262 . 0 0 "[ . 1 . 2]" 1
506 1 45 ALA MB 1 55 VAL QG . . 4.030 3.063 2.585 3.955 . 0 0 "[ . 1 . 2]" 1
507 1 45 ALA MB 1 56 GLU H . . 5.500 4.893 4.365 5.466 . 0 0 "[ . 1 . 2]" 1
508 1 46 ASP H 1 47 VAL H . . 5.260 4.238 3.915 4.402 . 0 0 "[ . 1 . 2]" 1
509 1 46 ASP H 1 53 GLY HA3 . . 5.480 5.162 4.671 5.555 0.075 11 0 "[ . 1 . 2]" 1
510 1 46 ASP H 1 54 VAL QG . . 4.110 3.892 3.510 4.221 0.111 9 0 "[ . 1 . 2]" 1
511 1 46 ASP H 1 55 VAL HA . . 3.520 3.508 3.278 3.626 0.106 11 0 "[ . 1 . 2]" 1
512 1 46 ASP HA 1 47 VAL H . . 3.040 2.310 2.159 2.484 . 0 0 "[ . 1 . 2]" 1
513 1 46 ASP HA 1 47 VAL QG . . 5.390 3.619 3.245 3.953 . 0 0 "[ . 1 . 2]" 1
514 1 47 VAL H 1 47 VAL HB . . 3.690 3.287 2.794 3.789 0.099 12 0 "[ . 1 . 2]" 1
515 1 47 VAL H 1 47 VAL QG . . 3.770 2.722 2.150 3.224 . 0 0 "[ . 1 . 2]" 1
516 1 47 VAL H 1 48 TYR H . . 5.140 4.220 3.555 4.453 . 0 0 "[ . 1 . 2]" 1
517 1 47 VAL HA 1 48 TYR H . . 3.120 2.389 2.106 2.733 . 0 0 "[ . 1 . 2]" 1
518 1 47 VAL HA 1 48 TYR HA . . 5.050 4.517 4.300 4.652 . 0 0 "[ . 1 . 2]" 1
519 1 47 VAL HA 1 53 GLY HA3 . . 3.640 3.171 2.371 3.597 . 0 0 "[ . 1 . 2]" 1
520 1 47 VAL HB 1 48 TYR H . . 4.640 3.285 2.014 4.415 . 0 0 "[ . 1 . 2]" 1
521 1 47 VAL QG 1 48 TYR H . . 3.420 2.558 1.906 3.322 . 0 0 "[ . 1 . 2]" 1
522 1 47 VAL QG 1 48 TYR HA . . 4.730 3.575 2.784 4.279 . 0 0 "[ . 1 . 2]" 1
523 1 47 VAL QG 1 49 ARG H . . 5.500 4.744 3.852 5.400 . 0 0 "[ . 1 . 2]" 1
524 1 47 VAL QG 1 53 GLY HA3 . . 4.650 2.215 1.992 2.817 . 0 0 "[ . 1 . 2]" 1
525 1 48 TYR H 1 48 TYR QD . . 3.230 2.908 2.106 3.288 0.058 4 0 "[ . 1 . 2]" 1
526 1 48 TYR H 1 49 ARG H . . 4.380 4.291 4.127 4.450 0.070 17 0 "[ . 1 . 2]" 1
527 1 48 TYR H 1 50 ASP H . . 5.500 4.252 3.509 5.146 . 0 0 "[ . 1 . 2]" 1
528 1 48 TYR HA 1 48 TYR QD . . 3.920 3.561 2.533 3.766 . 0 0 "[ . 1 . 2]" 1
529 1 48 TYR HA 1 49 ARG H . . 3.450 2.490 2.191 2.966 . 0 0 "[ . 1 . 2]" 1
530 1 48 TYR HA 1 50 ASP H . . 5.360 4.809 4.225 5.316 . 0 0 "[ . 1 . 2]" 1
531 1 48 TYR HB3 1 49 ARG H . . 4.100 3.336 2.028 3.780 . 0 0 "[ . 1 . 2]" 1
532 1 48 TYR QD 1 49 ARG H . . 3.900 3.723 3.172 4.004 0.104 12 0 "[ . 1 . 2]" 1
533 1 48 TYR QD 1 50 ASP H . . 5.460 3.041 2.432 3.769 . 0 0 "[ . 1 . 2]" 1
534 1 48 TYR QD 1 50 ASP HA . . 4.290 4.383 4.338 4.406 0.116 8 0 "[ . 1 . 2]" 1
535 1 48 TYR QD 1 54 VAL H . . 5.500 5.114 3.983 5.591 0.091 1 0 "[ . 1 . 2]" 1
536 1 48 TYR QD 1 54 VAL QG . . 5.500 4.103 3.070 5.233 . 0 0 "[ . 1 . 2]" 1
537 1 48 TYR QE 1 53 GLY HA2 . . 3.720 3.501 2.927 3.815 0.095 17 0 "[ . 1 . 2]" 1
538 1 48 TYR QE 1 54 VAL H . . 5.170 4.332 3.152 4.928 . 0 0 "[ . 1 . 2]" 1
539 1 48 TYR QE 1 54 VAL HB . . 4.000 3.841 2.809 4.105 0.105 6 0 "[ . 1 . 2]" 1
540 1 48 TYR QE 1 54 VAL QG . . 3.730 2.934 2.151 3.766 0.036 8 0 "[ . 1 . 2]" 1
541 1 49 ARG H 1 49 ARG HB3 . . 3.760 3.418 2.562 3.834 0.074 13 0 "[ . 1 . 2]" 1
542 1 49 ARG H 1 50 ASP H . . 3.870 3.538 2.809 3.962 0.092 13 0 "[ . 1 . 2]" 1
543 1 49 ARG HA 1 50 ASP HA . . 5.210 4.516 4.236 4.854 . 0 0 "[ . 1 . 2]" 1
544 1 49 ARG HB3 1 50 ASP H . . 4.400 3.934 2.056 4.467 0.067 5 0 "[ . 1 . 2]" 1
545 1 50 ASP H 1 50 ASP HB3 . . 3.950 3.343 2.499 4.012 0.062 8 0 "[ . 1 . 2]" 1
546 1 50 ASP H 1 52 THR H . . 4.110 3.616 2.907 4.192 0.082 17 0 "[ . 1 . 2]" 1
547 1 50 ASP HA 1 52 THR H . . 5.370 4.183 3.352 5.028 . 0 0 "[ . 1 . 2]" 1
548 1 50 ASP HB3 1 51 GLY HA3 . . 5.270 5.056 3.881 5.665 0.395 1 0 "[ . 1 . 2]" 1
549 1 51 GLY H 1 52 THR H . . 3.470 3.007 2.171 3.475 0.005 4 0 "[ . 1 . 2]" 1
550 1 51 GLY HA2 1 52 THR HA . . 4.860 4.536 4.404 4.644 . 0 0 "[ . 1 . 2]" 1
551 1 52 THR H 1 52 THR MG . . 3.880 3.624 3.179 3.974 0.094 17 0 "[ . 1 . 2]" 1
552 1 52 THR H 1 53 GLY H . . 4.830 4.408 4.348 4.485 . 0 0 "[ . 1 . 2]" 1
553 1 52 THR H 1 53 GLY HA3 . . 5.500 5.280 5.038 5.565 0.065 11 0 "[ . 1 . 2]" 1
554 1 52 THR HA 1 52 THR MG . . 3.340 2.288 2.207 2.443 . 0 0 "[ . 1 . 2]" 1
555 1 52 THR HA 1 53 GLY H . . 3.170 2.472 2.245 2.714 . 0 0 "[ . 1 . 2]" 1
556 1 52 THR HB 1 53 GLY H . . 2.990 2.582 2.267 3.063 0.073 17 0 "[ . 1 . 2]" 1
557 1 52 THR MG 1 53 GLY H . . 4.010 3.088 1.796 3.649 . 0 0 "[ . 1 . 2]" 1
558 1 52 THR MG 1 53 GLY HA3 . . 5.500 5.294 4.335 5.588 0.088 5 0 "[ . 1 . 2]" 1
559 1 53 GLY H 1 54 VAL H . . 4.980 4.308 3.910 4.392 . 0 0 "[ . 1 . 2]" 1
560 1 53 GLY H 1 54 VAL QG . . 5.350 4.520 3.564 5.134 . 0 0 "[ . 1 . 2]" 1
561 1 53 GLY HA2 1 54 VAL H . . 3.160 2.461 2.248 2.645 . 0 0 "[ . 1 . 2]" 1
562 1 53 GLY HA2 1 54 VAL QG . . 4.920 3.513 2.779 4.253 . 0 0 "[ . 1 . 2]" 1
563 1 53 GLY HA3 1 54 VAL H . . 3.300 2.876 2.667 3.371 0.071 3 0 "[ . 1 . 2]" 1
564 1 54 VAL H 1 54 VAL HB . . 4.120 2.923 2.448 3.400 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL H 1 54 VAL QG . . 3.720 2.513 2.091 3.104 . 0 0 "[ . 1 . 2]" 1
566 1 54 VAL HA 1 55 VAL H . . 2.870 2.266 2.152 2.424 . 0 0 "[ . 1 . 2]" 1
567 1 54 VAL HA 1 55 VAL QG . . 4.010 3.134 2.858 3.501 . 0 0 "[ . 1 . 2]" 1
568 1 54 VAL HB 1 55 VAL H . . 4.290 4.138 3.836 4.327 0.037 2 0 "[ . 1 . 2]" 1
569 1 54 VAL HB 1 55 VAL QG . . 5.230 4.823 4.458 5.168 . 0 0 "[ . 1 . 2]" 1
570 1 54 VAL QG 1 55 VAL H . . 3.430 2.481 2.193 2.871 . 0 0 "[ . 1 . 2]" 1
571 1 54 VAL QG 1 55 VAL HA . . 4.130 3.699 3.376 3.916 . 0 0 "[ . 1 . 2]" 1
572 1 55 VAL H 1 55 VAL HB . . 3.740 2.665 2.397 2.919 . 0 0 "[ . 1 . 2]" 1
573 1 55 VAL H 1 55 VAL QG . . 3.620 2.767 2.176 3.122 . 0 0 "[ . 1 . 2]" 1
574 1 55 VAL H 1 56 GLU H . . 5.400 4.445 4.360 4.602 . 0 0 "[ . 1 . 2]" 1
575 1 55 VAL HA 1 55 VAL QG . . 3.060 2.183 2.075 2.305 . 0 0 "[ . 1 . 2]" 1
576 1 55 VAL HA 1 56 GLU H . . 3.310 2.482 2.369 2.669 . 0 0 "[ . 1 . 2]" 1
577 1 55 VAL HB 1 56 GLU H . . 5.180 3.771 3.263 4.171 . 0 0 "[ . 1 . 2]" 1
578 1 55 VAL HB 1 57 PHE HD1 . . 5.010 4.088 3.338 4.763 . 0 0 "[ . 1 . 2]" 1
579 1 55 VAL QG 1 56 GLU H . . 3.630 2.161 1.909 2.437 . 0 0 "[ . 1 . 2]" 1
580 1 55 VAL QG 1 57 PHE HD1 . . 3.810 2.380 2.043 2.730 . 0 0 "[ . 1 . 2]" 1
581 1 55 VAL QG 1 57 PHE QE . . 3.650 2.383 2.042 3.610 . 0 0 "[ . 1 . 2]" 1
582 1 56 GLU HA 1 57 PHE H . . 2.970 2.126 1.975 2.297 . 0 0 "[ . 1 . 2]" 1
583 1 57 PHE H 1 57 PHE HB3 . . 3.580 3.457 3.013 3.605 0.025 17 0 "[ . 1 . 2]" 1
584 1 57 PHE H 1 57 PHE HD1 . . 3.830 3.116 2.618 3.889 0.059 8 0 "[ . 1 . 2]" 1
585 1 57 PHE HA 1 57 PHE HD1 . . 3.560 2.875 2.597 3.182 . 0 0 "[ . 1 . 2]" 1
586 1 57 PHE HA 1 57 PHE HD2 . . 4.020 4.012 3.632 4.105 0.085 10 0 "[ . 1 . 2]" 1
587 1 57 PHE HA 1 58 VAL H . . 3.180 2.500 2.287 2.671 . 0 0 "[ . 1 . 2]" 1
588 1 57 PHE HA 1 58 VAL QG . . 4.590 3.497 3.218 3.756 . 0 0 "[ . 1 . 2]" 1
589 1 57 PHE HA 1 59 ARG H . . 5.010 4.728 4.353 5.094 0.084 20 0 "[ . 1 . 2]" 1
590 1 57 PHE HB3 1 58 VAL H . . 4.860 2.310 1.950 2.907 . 0 0 "[ . 1 . 2]" 1
591 1 57 PHE HB3 1 58 VAL QG . . 5.460 3.810 3.186 4.249 . 0 0 "[ . 1 . 2]" 1
592 1 57 PHE HB3 1 59 ARG H . . 5.430 2.913 2.524 3.416 . 0 0 "[ . 1 . 2]" 1
593 1 57 PHE HB3 1 63 MET HB3 . . 4.370 4.720 4.023 5.315 0.945 17 5 "[* . *- . + *2]" 1
594 1 57 PHE HD1 1 58 VAL H . . 5.010 4.993 4.663 5.099 0.089 19 0 "[ . 1 . 2]" 1
595 1 57 PHE HD2 1 58 VAL QG . . 5.500 4.525 3.508 5.281 . 0 0 "[ . 1 . 2]" 1
596 1 57 PHE HD2 1 62 ASP HB3 . . 3.960 2.318 2.089 3.063 . 0 0 "[ . 1 . 2]" 1
597 1 57 PHE HD2 1 63 MET H . . 4.770 3.039 2.552 3.526 . 0 0 "[ . 1 . 2]" 1
598 1 57 PHE HD2 1 63 MET HA . . 3.890 3.057 2.720 3.623 . 0 0 "[ . 1 . 2]" 1
599 1 57 PHE HD2 1 63 MET HB3 . . 5.240 4.934 4.276 5.354 0.114 16 0 "[ . 1 . 2]" 1
600 1 57 PHE QE 1 66 ALA MB . . 3.020 2.625 2.246 3.138 0.118 8 0 "[ . 1 . 2]" 1
601 1 58 VAL H 1 58 VAL HB . . 3.600 2.980 2.307 3.672 0.072 19 0 "[ . 1 . 2]" 1
602 1 58 VAL H 1 58 VAL QG . . 3.240 2.145 1.808 2.479 . 0 0 "[ . 1 . 2]" 1
603 1 58 VAL H 1 59 ARG H . . 3.640 2.667 2.261 2.990 . 0 0 "[ . 1 . 2]" 1
604 1 58 VAL H 1 63 MET H . . 5.050 5.108 4.955 5.133 0.083 17 0 "[ . 1 . 2]" 1
605 1 58 VAL HA 1 58 VAL QG . . 3.200 2.168 2.060 2.281 . 0 0 "[ . 1 . 2]" 1
606 1 58 VAL HB 1 59 ARG H . . 3.770 3.137 2.287 3.851 0.081 5 0 "[ . 1 . 2]" 1
607 1 58 VAL QG 1 59 ARG H . . 5.340 2.728 2.230 3.236 . 0 0 "[ . 1 . 2]" 1
608 1 59 ARG H 1 59 ARG HG3 . . 5.090 4.501 3.125 4.780 . 0 0 "[ . 1 . 2]" 1
609 1 59 ARG H 1 60 LYS H . . 5.080 4.433 4.362 4.528 . 0 0 "[ . 1 . 2]" 1
610 1 59 ARG H 1 62 ASP H . . 4.970 3.896 3.231 4.203 . 0 0 "[ . 1 . 2]" 1
611 1 59 ARG HA 1 59 ARG HG3 . . 4.130 2.541 2.207 3.880 . 0 0 "[ . 1 . 2]" 1
612 1 59 ARG HA 1 60 LYS H . . 2.800 2.392 2.236 2.597 . 0 0 "[ . 1 . 2]" 1
613 1 59 ARG HA 1 60 LYS HA . . 4.880 4.268 4.099 4.413 . 0 0 "[ . 1 . 2]" 1
614 1 59 ARG HA 1 61 GLU H . . 4.250 4.270 4.089 4.328 0.078 20 0 "[ . 1 . 2]" 1
615 1 59 ARG HA 1 62 ASP H . . 5.230 5.218 4.968 5.301 0.071 17 0 "[ . 1 . 2]" 1
616 1 60 LYS H 1 60 LYS HB3 . . 3.180 2.561 2.320 2.829 . 0 0 "[ . 1 . 2]" 1
617 1 60 LYS H 1 61 GLU H . . 3.600 2.778 2.645 2.914 . 0 0 "[ . 1 . 2]" 1
618 1 60 LYS H 1 62 ASP H . . 5.010 4.843 4.582 5.050 0.040 4 0 "[ . 1 . 2]" 1
619 1 60 LYS H 1 63 MET ME . . 5.220 4.608 4.359 4.923 . 0 0 "[ . 1 . 2]" 1
620 1 60 LYS HA 1 62 ASP H . . 5.260 4.730 4.161 5.102 . 0 0 "[ . 1 . 2]" 1
621 1 60 LYS HA 1 63 MET H . . 4.100 3.497 3.200 3.748 . 0 0 "[ . 1 . 2]" 1
622 1 60 LYS HA 1 63 MET ME . . 3.410 2.279 2.030 2.576 . 0 0 "[ . 1 . 2]" 1
623 1 60 LYS HA 1 64 THR H . . 3.420 3.490 3.406 3.508 0.088 9 0 "[ . 1 . 2]" 1
624 1 60 LYS HB3 1 61 GLU H . . 4.470 3.062 2.899 3.220 . 0 0 "[ . 1 . 2]" 1
625 1 61 GLU H 1 61 GLU HG3 . . 4.290 2.831 1.953 3.794 . 0 0 "[ . 1 . 2]" 1
626 1 61 GLU H 1 62 ASP H . . 3.540 2.850 2.680 3.058 . 0 0 "[ . 1 . 2]" 1
627 1 61 GLU HA 1 61 GLU HG3 . . 3.920 3.449 2.709 3.985 0.065 14 0 "[ . 1 . 2]" 1
628 1 61 GLU HA 1 64 THR H . . 4.200 3.809 3.379 4.091 . 0 0 "[ . 1 . 2]" 1
629 1 61 GLU HA 1 64 THR MG . . 5.460 4.446 3.780 4.783 . 0 0 "[ . 1 . 2]" 1
630 1 61 GLU HG3 1 62 ASP H . . 5.220 4.273 1.751 5.264 0.044 10 0 "[ . 1 . 2]" 1
631 1 62 ASP H 1 62 ASP HB3 . . 3.610 3.559 3.467 3.641 0.031 18 0 "[ . 1 . 2]" 1
632 1 62 ASP H 1 64 THR H . . 4.510 4.360 3.984 4.575 0.065 11 0 "[ . 1 . 2]" 1
633 1 62 ASP HA 1 64 THR H . . 5.440 4.680 4.425 5.021 . 0 0 "[ . 1 . 2]" 1
634 1 62 ASP HA 1 65 TYR H . . 4.020 3.391 2.929 3.664 . 0 0 "[ . 1 . 2]" 1
635 1 62 ASP HA 1 66 ALA H . . 5.070 4.340 3.894 4.772 . 0 0 "[ . 1 . 2]" 1
636 1 62 ASP HB3 1 63 MET H . . 4.740 3.549 3.281 3.774 . 0 0 "[ . 1 . 2]" 1
637 1 63 MET H 1 63 MET HB3 . . 3.430 2.579 2.345 2.783 . 0 0 "[ . 1 . 2]" 1
638 1 63 MET H 1 63 MET ME . . 4.480 4.474 4.347 4.563 0.083 16 0 "[ . 1 . 2]" 1
639 1 63 MET H 1 63 MET HG3 . . 4.830 4.504 4.263 4.687 . 0 0 "[ . 1 . 2]" 1
640 1 63 MET H 1 64 THR H . . 3.430 3.001 2.837 3.195 . 0 0 "[ . 1 . 2]" 1
641 1 63 MET H 1 65 TYR H . . 5.140 4.284 4.044 4.481 . 0 0 "[ . 1 . 2]" 1
642 1 63 MET HA 1 63 MET HG3 . . 3.850 3.200 2.405 3.610 . 0 0 "[ . 1 . 2]" 1
643 1 63 MET HA 1 66 ALA H . . 4.120 3.614 3.423 3.895 . 0 0 "[ . 1 . 2]" 1
644 1 63 MET HA 1 66 ALA MB . . 3.660 2.968 2.676 3.341 . 0 0 "[ . 1 . 2]" 1
645 1 63 MET HA 1 89 VAL MG2 . . 5.400 5.404 4.932 5.504 0.104 16 0 "[ . 1 . 2]" 1
646 1 63 MET HB3 1 64 THR H . . 4.050 2.459 2.300 2.667 . 0 0 "[ . 1 . 2]" 1
647 1 63 MET ME 1 63 MET HG3 . . 2.400 2.623 2.264 3.407 1.007 19 6 "[ * *. - 1 **. +2]" 1
648 1 63 MET ME 1 64 THR H . . 3.570 3.623 3.520 3.672 0.102 11 0 "[ . 1 . 2]" 1
649 1 63 MET ME 1 89 VAL HA . . 5.010 4.377 4.059 4.714 . 0 0 "[ . 1 . 2]" 1
650 1 63 MET ME 1 89 VAL MG1 . . 3.400 2.403 2.143 2.784 . 0 0 "[ . 1 . 2]" 1
651 1 64 THR H 1 64 THR HB . . 3.140 2.570 2.415 2.752 . 0 0 "[ . 1 . 2]" 1
652 1 64 THR H 1 64 THR MG . . 4.130 3.786 3.736 3.841 . 0 0 "[ . 1 . 2]" 1
653 1 64 THR H 1 65 TYR H . . 3.690 2.886 2.763 3.013 . 0 0 "[ . 1 . 2]" 1
654 1 64 THR H 1 66 ALA H . . 5.190 4.305 4.118 4.553 . 0 0 "[ . 1 . 2]" 1
655 1 64 THR HA 1 64 THR MG . . 3.180 2.410 2.269 2.560 . 0 0 "[ . 1 . 2]" 1
656 1 64 THR HA 1 67 VAL HB . . 3.930 3.505 2.844 3.995 0.065 17 0 "[ . 1 . 2]" 1
657 1 64 THR HA 1 67 VAL QG . . 3.880 2.801 2.360 3.566 . 0 0 "[ . 1 . 2]" 1
658 1 64 THR HA 1 68 ARG H . . 5.240 5.098 4.660 5.318 0.078 11 0 "[ . 1 . 2]" 1
659 1 64 THR HB 1 65 TYR H . . 3.640 2.734 2.515 3.578 . 0 0 "[ . 1 . 2]" 1
660 1 64 THR MG 1 65 TYR H . . 4.200 3.588 3.351 4.120 . 0 0 "[ . 1 . 2]" 1
661 1 64 THR MG 1 67 VAL HB . . 4.010 3.803 3.216 4.093 0.083 11 0 "[ . 1 . 2]" 1
662 1 64 THR MG 1 67 VAL QG . . 4.580 3.737 3.453 4.185 . 0 0 "[ . 1 . 2]" 1
663 1 65 TYR H 1 65 TYR QD . . 4.580 4.169 3.967 4.258 . 0 0 "[ . 1 . 2]" 1
664 1 65 TYR H 1 66 ALA H . . 3.370 2.747 2.245 2.843 . 0 0 "[ . 1 . 2]" 1
665 1 65 TYR H 1 66 ALA MB . . 5.500 4.427 3.932 4.545 . 0 0 "[ . 1 . 2]" 1
666 1 65 TYR H 1 67 VAL QG . . 5.500 4.919 4.586 5.395 . 0 0 "[ . 1 . 2]" 1
667 1 65 TYR HA 1 65 TYR QD . . 3.880 3.053 2.805 3.259 . 0 0 "[ . 1 . 2]" 1
668 1 65 TYR HA 1 67 VAL H . . 4.840 4.270 4.145 4.423 . 0 0 "[ . 1 . 2]" 1
669 1 65 TYR HA 1 69 LYS H . . 4.620 4.295 3.849 4.669 0.049 18 0 "[ . 1 . 2]" 1
670 1 65 TYR QD 1 66 ALA H . . 4.160 3.663 3.322 4.064 . 0 0 "[ . 1 . 2]" 1
671 1 65 TYR QD 1 66 ALA HA . . 3.410 3.289 2.711 3.495 0.085 13 0 "[ . 1 . 2]" 1
672 1 65 TYR QD 1 67 VAL H . . 5.500 5.473 5.174 5.591 0.091 14 0 "[ . 1 . 2]" 1
673 1 65 TYR QD 1 69 LYS HB3 . . 3.390 3.821 2.778 4.765 1.375 16 10 "[** *.** 1* *-.+* 2]" 1
674 1 66 ALA H 1 66 ALA MB . . 3.100 2.239 2.150 2.332 . 0 0 "[ . 1 . 2]" 1
675 1 66 ALA H 1 67 VAL H . . 3.500 2.789 2.471 3.011 . 0 0 "[ . 1 . 2]" 1
676 1 66 ALA H 1 67 VAL HB . . 5.500 5.174 4.806 5.487 . 0 0 "[ . 1 . 2]" 1
677 1 66 ALA H 1 67 VAL QG . . 5.400 3.958 3.541 4.254 . 0 0 "[ . 1 . 2]" 1
678 1 66 ALA H 1 68 ARG H . . 4.370 4.048 3.700 4.347 . 0 0 "[ . 1 . 2]" 1
679 1 66 ALA H 1 69 LYS H . . 5.410 4.854 4.621 5.102 . 0 0 "[ . 1 . 2]" 1
680 1 66 ALA HA 1 68 ARG H . . 4.320 3.854 3.524 4.369 0.049 6 0 "[ . 1 . 2]" 1
681 1 66 ALA HA 1 69 LYS H . . 4.320 3.416 3.038 3.737 . 0 0 "[ . 1 . 2]" 1
682 1 66 ALA HA 1 70 LEU H . . 4.040 3.246 2.845 3.696 . 0 0 "[ . 1 . 2]" 1
683 1 66 ALA HA 1 70 LEU QD . . 4.510 3.615 2.907 3.841 . 0 0 "[ . 1 . 2]" 1
684 1 66 ALA HA 1 70 LEU HG . . 3.650 3.698 3.454 3.737 0.087 13 0 "[ . 1 . 2]" 1
685 1 66 ALA MB 1 67 VAL H . . 3.500 2.696 2.542 3.167 . 0 0 "[ . 1 . 2]" 1
686 1 66 ALA MB 1 67 VAL QG . . 4.170 3.015 2.687 3.379 . 0 0 "[ . 1 . 2]" 1
687 1 66 ALA MB 1 68 ARG H . . 5.320 4.308 4.164 4.563 . 0 0 "[ . 1 . 2]" 1
688 1 66 ALA MB 1 87 VAL QG . . 4.030 2.407 2.099 2.856 . 0 0 "[ . 1 . 2]" 1
689 1 67 VAL H 1 67 VAL HB . . 3.100 2.600 2.405 2.843 . 0 0 "[ . 1 . 2]" 1
690 1 67 VAL H 1 67 VAL QG . . 3.040 2.043 1.890 2.260 . 0 0 "[ . 1 . 2]" 1
691 1 67 VAL H 1 68 ARG HB3 . . 4.870 5.681 4.938 6.196 1.326 8 13 "[*-**. *+*1* ***** 2]" 1
692 1 67 VAL H 1 69 LYS H . . 5.160 4.252 4.061 4.442 . 0 0 "[ . 1 . 2]" 1
693 1 67 VAL HA 1 68 ARG HA . . 4.960 4.658 4.534 4.773 . 0 0 "[ . 1 . 2]" 1
694 1 67 VAL HA 1 70 LEU H . . 5.200 4.228 3.855 4.442 . 0 0 "[ . 1 . 2]" 1
695 1 67 VAL HA 1 87 VAL HB . . 4.480 3.782 2.590 4.562 0.082 17 0 "[ . 1 . 2]" 1
696 1 67 VAL HA 1 87 VAL QG . . 3.930 2.677 2.003 3.430 . 0 0 "[ . 1 . 2]" 1
697 1 67 VAL HB 1 68 ARG H . . 3.380 3.291 2.913 3.450 0.070 15 0 "[ . 1 . 2]" 1
698 1 67 VAL HB 1 68 ARG HA . . 4.700 4.542 4.214 4.772 0.072 5 0 "[ . 1 . 2]" 1
699 1 67 VAL QG 1 68 ARG H . . 4.080 3.610 3.455 3.737 . 0 0 "[ . 1 . 2]" 1
700 1 67 VAL QG 1 68 ARG HA . . 4.280 3.991 3.618 4.228 . 0 0 "[ . 1 . 2]" 1
701 1 67 VAL QG 1 71 ASP HB3 . . 5.500 3.850 3.310 4.632 . 0 0 "[ . 1 . 2]" 1
702 1 67 VAL QG 1 87 VAL QG . . 3.350 2.399 2.051 2.944 . 0 0 "[ . 1 . 2]" 1
703 1 67 VAL QG 1 88 LYS HA . . 3.750 2.877 2.336 3.379 . 0 0 "[ . 1 . 2]" 1
704 1 67 VAL QG 1 89 VAL H . . 4.150 3.385 2.839 4.091 . 0 0 "[ . 1 . 2]" 1
705 1 67 VAL QG 1 89 VAL HA . . 4.900 3.952 3.530 4.508 . 0 0 "[ . 1 . 2]" 1
706 1 67 VAL QG 1 89 VAL MG2 . . 2.400 2.070 1.814 2.479 0.079 3 0 "[ . 1 . 2]" 1
707 1 68 ARG H 1 68 ARG HB3 . . 3.240 3.451 2.769 3.744 0.504 15 4 "[ * . 1 - + * 2]" 1
708 1 68 ARG H 1 68 ARG HG3 . . 4.100 3.177 2.349 3.885 . 0 0 "[ . 1 . 2]" 1
709 1 68 ARG H 1 69 LYS H . . 3.230 2.227 1.928 2.513 . 0 0 "[ . 1 . 2]" 1
710 1 68 ARG H 1 70 LEU H . . 4.970 3.649 3.292 3.953 . 0 0 "[ . 1 . 2]" 1
711 1 68 ARG H 1 71 ASP H . . 5.350 5.118 4.676 5.418 0.068 9 0 "[ . 1 . 2]" 1
712 1 68 ARG HA 1 68 ARG HG3 . . 3.840 3.692 3.235 3.890 0.050 17 0 "[ . 1 . 2]" 1
713 1 68 ARG HB3 1 69 LYS H . . 4.930 4.101 3.576 4.534 . 0 0 "[ . 1 . 2]" 1
714 1 68 ARG HG3 1 69 LYS H . . 4.920 4.184 2.957 5.008 0.088 11 0 "[ . 1 . 2]" 1
715 1 69 LYS H 1 69 LYS HB3 . . 3.180 3.459 2.617 3.698 0.518 2 1 "[ + . 1 . 2]" 1
716 1 69 LYS H 1 70 LEU H . . 3.140 2.158 1.901 2.518 . 0 0 "[ . 1 . 2]" 1
717 1 69 LYS H 1 71 ASP H . . 4.510 3.993 3.384 4.546 0.036 3 0 "[ . 1 . 2]" 1
718 1 69 LYS HA 1 69 LYS HD3 . . 4.040 3.292 2.262 3.938 . 0 0 "[ . 1 . 2]" 1
719 1 69 LYS HA 1 71 ASP H . . 5.460 4.228 3.866 4.566 . 0 0 "[ . 1 . 2]" 1
720 1 69 LYS HB3 1 70 LEU H . . 4.390 3.947 3.292 4.239 . 0 0 "[ . 1 . 2]" 1
721 1 70 LEU H 1 70 LEU QD . . 4.390 3.723 3.531 3.854 . 0 0 "[ . 1 . 2]" 1
722 1 70 LEU H 1 71 ASP H . . 2.990 2.261 1.733 2.767 . 0 0 "[ . 1 . 2]" 1
723 1 70 LEU H 1 71 ASP HB3 . . 4.650 3.876 3.273 4.710 0.060 6 0 "[ . 1 . 2]" 1
724 1 70 LEU H 1 73 THR MG . . 5.500 4.304 4.034 4.544 . 0 0 "[ . 1 . 2]" 1
725 1 70 LEU HA 1 70 LEU QD . . 3.020 2.128 1.963 2.398 . 0 0 "[ . 1 . 2]" 1
726 1 70 LEU HA 1 70 LEU HG . . 4.190 3.748 3.672 3.873 . 0 0 "[ . 1 . 2]" 1
727 1 70 LEU HA 1 73 THR MG . . 3.030 2.331 2.026 2.650 . 0 0 "[ . 1 . 2]" 1
728 1 70 LEU QD 1 73 THR HB . . 5.500 3.716 2.935 4.199 . 0 0 "[ . 1 . 2]" 1
729 1 70 LEU QD 1 73 THR MG . . 3.140 2.363 2.000 2.962 . 0 0 "[ . 1 . 2]" 1
730 1 70 LEU QD 1 87 VAL QG . . 2.410 2.374 2.092 2.552 0.142 20 0 "[ . 1 . 2]" 1
731 1 71 ASP H 1 71 ASP HB3 . . 3.220 2.454 2.342 2.713 . 0 0 "[ . 1 . 2]" 1
732 1 71 ASP H 1 72 ASN H . . 4.870 4.533 4.414 4.619 . 0 0 "[ . 1 . 2]" 1
733 1 71 ASP H 1 73 THR MG . . 5.500 3.231 2.822 3.659 . 0 0 "[ . 1 . 2]" 1
734 1 71 ASP H 1 87 VAL HB . . 4.790 4.621 4.127 4.869 0.079 1 0 "[ . 1 . 2]" 1
735 1 71 ASP H 1 87 VAL QG . . 4.550 4.017 3.128 4.418 . 0 0 "[ . 1 . 2]" 1
736 1 71 ASP HA 1 72 ASN H . . 3.050 2.298 2.160 2.544 . 0 0 "[ . 1 . 2]" 1
737 1 71 ASP HA 1 73 THR H . . 3.930 3.326 2.977 3.909 . 0 0 "[ . 1 . 2]" 1
738 1 71 ASP HA 1 73 THR MG . . 3.070 3.174 3.158 3.187 0.117 16 0 "[ . 1 . 2]" 1
739 1 71 ASP HA 1 85 ILE MD . . 5.500 4.905 3.386 5.591 0.091 5 0 "[ . 1 . 2]" 1
740 1 71 ASP HA 1 86 ARG HA . . 5.120 3.466 2.659 4.230 . 0 0 "[ . 1 . 2]" 1
741 1 71 ASP HA 1 87 VAL H . . 3.540 2.751 2.066 3.158 . 0 0 "[ . 1 . 2]" 1
742 1 71 ASP HA 1 87 VAL HB . . 3.580 2.824 2.272 3.271 . 0 0 "[ . 1 . 2]" 1
743 1 71 ASP HA 1 87 VAL QG . . 3.440 2.798 2.460 3.308 . 0 0 "[ . 1 . 2]" 1
744 1 71 ASP HB3 1 87 VAL HB . . 4.080 3.793 2.348 4.161 0.081 4 0 "[ . 1 . 2]" 1
745 1 72 ASN H 1 73 THR H . . 3.470 2.771 2.550 3.008 . 0 0 "[ . 1 . 2]" 1
746 1 72 ASN H 1 84 TYR QD . . 4.980 4.963 4.549 5.092 0.112 3 0 "[ . 1 . 2]" 1
747 1 72 ASN H 1 85 ILE H . . 5.220 4.980 4.560 5.298 0.078 20 0 "[ . 1 . 2]" 1
748 1 72 ASN H 1 86 ARG H . . 5.390 4.859 4.288 5.204 . 0 0 "[ . 1 . 2]" 1
749 1 72 ASN H 1 86 ARG HA . . 3.510 2.222 1.750 2.590 . 0 0 "[ . 1 . 2]" 1
750 1 72 ASN H 1 87 VAL HB . . 4.740 4.493 3.666 4.818 0.078 18 0 "[ . 1 . 2]" 1
751 1 72 ASN H 1 87 VAL QG . . 4.460 4.058 3.344 4.438 . 0 0 "[ . 1 . 2]" 1
752 1 72 ASN HA 1 73 THR H . . 3.230 2.913 2.395 3.153 . 0 0 "[ . 1 . 2]" 1
753 1 72 ASN HA 1 84 TYR QD . . 3.870 3.223 2.769 3.803 . 0 0 "[ . 1 . 2]" 1
754 1 72 ASN HA 1 85 ILE H . . 5.330 4.033 3.622 4.428 . 0 0 "[ . 1 . 2]" 1
755 1 72 ASN HA 1 86 ARG HA . . 4.760 3.250 2.957 3.756 . 0 0 "[ . 1 . 2]" 1
756 1 72 ASN HB3 1 72 ASN HD22 . . 3.660 3.787 3.509 4.147 0.487 10 0 "[ . 1 . 2]" 1
757 1 72 ASN HB3 1 73 THR H . . 4.670 4.265 4.035 4.660 . 0 0 "[ . 1 . 2]" 1
758 1 73 THR H 1 73 THR MG . . 4.050 2.341 2.022 3.020 . 0 0 "[ . 1 . 2]" 1
759 1 73 THR H 1 84 TYR QD . . 5.180 4.909 3.775 5.264 0.084 1 0 "[ . 1 . 2]" 1
760 1 73 THR H 1 85 ILE H . . 4.210 3.616 2.705 3.950 . 0 0 "[ . 1 . 2]" 1
761 1 73 THR H 1 85 ILE MD . . 5.500 4.319 3.575 5.235 . 0 0 "[ . 1 . 2]" 1
762 1 73 THR H 1 85 ILE HG13 . . 4.120 3.191 2.548 4.154 0.034 5 0 "[ . 1 . 2]" 1
763 1 73 THR H 1 86 ARG HA . . 5.220 4.103 3.069 4.696 . 0 0 "[ . 1 . 2]" 1
764 1 73 THR HA 1 73 THR MG . . 3.470 2.366 2.187 2.471 . 0 0 "[ . 1 . 2]" 1
765 1 73 THR HA 1 74 LYS H . . 2.980 2.510 2.218 2.644 . 0 0 "[ . 1 . 2]" 1
766 1 73 THR HB 1 74 LYS H . . 2.990 2.377 2.194 3.033 0.043 17 0 "[ . 1 . 2]" 1
767 1 73 THR MG 1 74 LYS H . . 4.010 3.734 3.461 3.989 . 0 0 "[ . 1 . 2]" 1
768 1 73 THR MG 1 85 ILE H . . 5.500 5.219 5.015 5.453 . 0 0 "[ . 1 . 2]" 1
769 1 74 LYS H 1 74 LYS HB3 . . 3.240 2.648 2.352 3.005 . 0 0 "[ . 1 . 2]" 1
770 1 74 LYS H 1 74 LYS HG3 . . 4.910 4.442 4.176 4.569 . 0 0 "[ . 1 . 2]" 1
771 1 74 LYS H 1 75 PHE H . . 4.900 4.572 4.223 4.658 . 0 0 "[ . 1 . 2]" 1
772 1 74 LYS HA 1 75 PHE H . . 3.000 2.424 2.166 2.572 . 0 0 "[ . 1 . 2]" 1
773 1 74 LYS HA 1 75 PHE HB3 . . 5.190 4.464 4.282 4.721 . 0 0 "[ . 1 . 2]" 1
774 1 74 LYS HA 1 83 ALA H . . 5.020 4.881 4.476 5.105 0.085 20 0 "[ . 1 . 2]" 1
775 1 74 LYS HA 1 84 TYR HA . . 3.560 2.193 2.037 2.542 . 0 0 "[ . 1 . 2]" 1
776 1 74 LYS HA 1 84 TYR HB3 . . 5.270 3.911 3.496 4.333 . 0 0 "[ . 1 . 2]" 1
777 1 74 LYS HA 1 85 ILE H . . 4.350 3.704 3.396 3.996 . 0 0 "[ . 1 . 2]" 1
778 1 74 LYS HB3 1 84 TYR HA . . 4.850 5.189 5.000 5.572 0.722 17 3 "[ . 1- . + *]" 1
779 1 74 LYS HG3 1 75 PHE H . . 4.660 2.332 1.845 3.737 . 0 0 "[ . 1 . 2]" 1
780 1 74 LYS HG3 1 75 PHE HA . . 4.370 4.696 3.831 5.636 1.266 3 7 "[ *+-. *1 * * *2]" 1
781 1 74 LYS HG3 1 75 PHE HB3 . . 5.220 4.918 4.267 5.739 0.519 17 1 "[ . 1 . + 2]" 1
782 1 74 LYS HG3 1 82 THR HB . . 4.660 2.795 2.092 3.965 . 0 0 "[ . 1 . 2]" 1
783 1 75 PHE H 1 75 PHE HB3 . . 3.840 2.717 2.277 2.916 . 0 0 "[ . 1 . 2]" 1
784 1 75 PHE H 1 75 PHE QD . . 4.910 4.189 3.944 4.426 . 0 0 "[ . 1 . 2]" 1
785 1 75 PHE H 1 76 ARG H . . 5.140 4.267 4.027 4.546 . 0 0 "[ . 1 . 2]" 1
786 1 75 PHE H 1 82 THR HA . . 5.020 4.263 4.012 5.062 0.042 17 0 "[ . 1 . 2]" 1
787 1 75 PHE H 1 83 ALA H . . 3.720 3.063 2.697 3.784 0.064 17 0 "[ . 1 . 2]" 1
788 1 75 PHE H 1 83 ALA MB . . 5.500 4.262 3.599 5.416 . 0 0 "[ . 1 . 2]" 1
789 1 75 PHE H 1 84 TYR HA . . 4.400 3.405 2.690 3.688 . 0 0 "[ . 1 . 2]" 1
790 1 75 PHE H 1 85 ILE MD . . 5.500 5.052 4.610 5.574 0.074 9 0 "[ . 1 . 2]" 1
791 1 75 PHE H 1 85 ILE MG . . 4.830 4.146 3.401 4.577 . 0 0 "[ . 1 . 2]" 1
792 1 75 PHE HA 1 75 PHE QD . . 3.680 3.020 2.556 3.361 . 0 0 "[ . 1 . 2]" 1
793 1 75 PHE HA 1 76 ARG H . . 2.890 2.259 2.068 2.759 . 0 0 "[ . 1 . 2]" 1
794 1 75 PHE HA 1 82 THR HB . . 4.530 4.621 4.605 4.635 0.105 20 0 "[ . 1 . 2]" 1
795 1 75 PHE HA 1 83 ALA H . . 5.080 4.939 4.608 5.160 0.080 17 0 "[ . 1 . 2]" 1
796 1 75 PHE HA 1 85 ILE MD . . 5.500 4.102 3.700 5.504 0.004 17 0 "[ . 1 . 2]" 1
797 1 75 PHE HA 1 85 ILE MG . . 4.650 4.507 4.174 4.740 0.090 1 0 "[ . 1 . 2]" 1
798 1 75 PHE HB3 1 76 ARG H . . 4.660 4.107 3.242 4.381 . 0 0 "[ . 1 . 2]" 1
799 1 75 PHE HB3 1 82 THR HA . . 4.880 4.778 4.031 4.947 0.067 17 0 "[ . 1 . 2]" 1
800 1 75 PHE HB3 1 82 THR HB . . 5.020 4.897 4.076 5.093 0.073 18 0 "[ . 1 . 2]" 1
801 1 75 PHE HB3 1 83 ALA MB . . 4.320 3.377 2.138 4.411 0.091 17 0 "[ . 1 . 2]" 1
802 1 75 PHE HB3 1 85 ILE MD . . 4.660 3.791 3.328 4.743 0.083 17 0 "[ . 1 . 2]" 1
803 1 75 PHE HB3 1 85 ILE MG . . 3.690 2.449 2.160 3.280 . 0 0 "[ . 1 . 2]" 1
804 1 75 PHE QD 1 76 ARG H . . 4.520 3.410 2.744 3.847 . 0 0 "[ . 1 . 2]" 1
805 1 75 PHE QD 1 77 SER H . . 4.830 4.415 3.590 4.908 0.078 16 0 "[ . 1 . 2]" 1
806 1 75 PHE QD 1 82 THR HA . . 5.480 4.124 3.641 4.729 . 0 0 "[ . 1 . 2]" 1
807 1 75 PHE QD 1 83 ALA H . . 4.680 3.393 3.035 4.094 . 0 0 "[ . 1 . 2]" 1
808 1 75 PHE QD 1 83 ALA MB . . 4.990 3.599 2.618 4.264 . 0 0 "[ . 1 . 2]" 1
809 1 75 PHE QD 1 85 ILE MD . . 4.550 2.722 2.215 4.339 . 0 0 "[ . 1 . 2]" 1
810 1 75 PHE QD 1 85 ILE MG . . 4.800 3.311 3.027 3.544 . 0 0 "[ . 1 . 2]" 1
811 1 75 PHE QE 1 76 ARG H . . 5.270 4.289 3.477 4.919 . 0 0 "[ . 1 . 2]" 1
812 1 75 PHE QE 1 77 SER H . . 5.150 4.694 3.718 5.241 0.091 15 0 "[ . 1 . 2]" 1
813 1 75 PHE QE 1 77 SER HA . . 4.340 2.936 2.219 3.866 . 0 0 "[ . 1 . 2]" 1
814 1 75 PHE QE 1 85 ILE MD . . 5.500 4.273 3.572 5.557 0.057 17 0 "[ . 1 . 2]" 1
815 1 76 ARG H 1 76 ARG HB3 . . 3.810 3.394 2.442 3.885 0.075 16 0 "[ . 1 . 2]" 1
816 1 76 ARG H 1 77 SER H . . 4.650 4.501 4.188 4.700 0.050 3 0 "[ . 1 . 2]" 1
817 1 76 ARG HA 1 77 SER H . . 3.090 2.235 2.108 2.388 . 0 0 "[ . 1 . 2]" 1
818 1 76 ARG HA 1 82 THR HA . . 3.490 2.773 2.330 3.350 . 0 0 "[ . 1 . 2]" 1
819 1 76 ARG HB3 1 77 SER H . . 5.140 3.550 2.781 4.383 . 0 0 "[ . 1 . 2]" 1
820 1 76 ARG HB3 1 82 THR HB . . 5.430 5.060 3.769 5.504 0.074 16 0 "[ . 1 . 2]" 1
821 1 77 SER H 1 78 HIS H . . 4.940 4.480 4.367 4.625 . 0 0 "[ . 1 . 2]" 1
822 1 77 SER H 1 81 GLU H . . 3.800 3.664 3.295 3.880 0.080 8 0 "[ . 1 . 2]" 1
823 1 77 SER H 1 82 THR HA . . 4.170 3.012 2.351 3.782 . 0 0 "[ . 1 . 2]" 1
824 1 77 SER H 1 82 THR MG . . 4.560 3.041 2.499 3.646 . 0 0 "[ . 1 . 2]" 1
825 1 77 SER HA 1 78 HIS H . . 3.150 2.434 2.265 2.730 . 0 0 "[ . 1 . 2]" 1
826 1 77 SER HA 1 79 GLU H . . 5.230 4.054 3.708 4.543 . 0 0 "[ . 1 . 2]" 1
827 1 78 HIS H 1 78 HIS HB3 . . 3.860 2.890 2.545 3.486 . 0 0 "[ . 1 . 2]" 1
828 1 78 HIS H 1 79 GLU H . . 3.860 2.702 2.409 3.642 . 0 0 "[ . 1 . 2]" 1
829 1 78 HIS H 1 80 GLY H . . 5.380 4.700 4.339 5.134 . 0 0 "[ . 1 . 2]" 1
830 1 78 HIS HA 1 78 HIS HB3 . . 3.020 2.891 2.293 3.038 0.018 16 0 "[ . 1 . 2]" 1
831 1 79 GLU H 1 79 GLU HB3 . . 3.430 3.222 2.764 3.564 0.134 3 0 "[ . 1 . 2]" 1
832 1 79 GLU H 1 79 GLU HG3 . . 4.500 4.144 2.782 4.585 0.085 18 0 "[ . 1 . 2]" 1
833 1 79 GLU H 1 80 GLY H . . 3.040 2.722 1.805 3.113 0.073 8 0 "[ . 1 . 2]" 1
834 1 79 GLU H 1 80 GLY HA2 . . 5.050 4.914 4.128 5.123 0.073 14 0 "[ . 1 . 2]" 1
835 1 79 GLU HA 1 79 GLU HG3 . . 3.680 3.338 2.087 3.729 0.049 19 0 "[ . 1 . 2]" 1
836 1 79 GLU HA 1 81 GLU HG3 . . 4.330 5.101 4.281 6.120 1.790 11 9 "[ **** *+ * * -]" 1
837 1 79 GLU HB3 1 80 GLY H . . 4.590 4.180 3.693 4.522 . 0 0 "[ . 1 . 2]" 1
838 1 79 GLU HB3 1 81 GLU H . . 4.820 3.862 3.056 4.817 . 0 0 "[ . 1 . 2]" 1
839 1 79 GLU HB3 1 81 GLU HG3 . . 5.220 3.099 2.058 4.748 . 0 0 "[ . 1 . 2]" 1
840 1 80 GLY H 1 81 GLU H . . 3.240 2.574 2.118 2.862 . 0 0 "[ . 1 . 2]" 1
841 1 80 GLY HA2 1 81 GLU HA . . 4.420 4.492 4.470 4.512 0.092 11 0 "[ . 1 . 2]" 1
842 1 81 GLU H 1 81 GLU HB3 . . 3.350 3.204 2.781 3.404 0.054 7 0 "[ . 1 . 2]" 1
843 1 81 GLU H 1 81 GLU HG3 . . 4.910 2.555 2.115 3.115 . 0 0 "[ . 1 . 2]" 1
844 1 81 GLU H 1 82 THR H . . 4.920 4.367 4.269 4.508 . 0 0 "[ . 1 . 2]" 1
845 1 81 GLU HA 1 81 GLU HG3 . . 3.890 3.739 3.644 3.824 . 0 0 "[ . 1 . 2]" 1
846 1 81 GLU HA 1 82 THR H . . 2.720 2.549 2.397 2.773 0.053 12 0 "[ . 1 . 2]" 1
847 1 81 GLU HA 1 82 THR HA . . 5.110 4.506 4.452 4.568 . 0 0 "[ . 1 . 2]" 1
848 1 81 GLU HA 1 82 THR MG . . 4.940 3.111 2.914 3.252 . 0 0 "[ . 1 . 2]" 1
849 1 81 GLU HB3 1 82 THR H . . 4.310 3.659 3.387 3.901 . 0 0 "[ . 1 . 2]" 1
850 1 81 GLU HB3 1 82 THR MG . . 4.970 5.059 4.947 5.092 0.122 11 0 "[ . 1 . 2]" 1
851 1 81 GLU HG3 1 82 THR H . . 4.490 3.982 3.312 4.569 0.079 7 0 "[ . 1 . 2]" 1
852 1 81 GLU HG3 1 82 THR HA . . 5.440 4.543 3.528 5.487 0.047 7 0 "[ . 1 . 2]" 1
853 1 82 THR H 1 82 THR HB . . 4.050 4.019 3.919 4.082 0.032 3 0 "[ . 1 . 2]" 1
854 1 82 THR H 1 82 THR MG . . 3.390 3.001 2.796 3.177 . 0 0 "[ . 1 . 2]" 1
855 1 82 THR H 1 83 ALA H . . 4.620 4.238 3.993 4.385 . 0 0 "[ . 1 . 2]" 1
856 1 82 THR HA 1 82 THR MG . . 3.360 2.583 2.445 2.717 . 0 0 "[ . 1 . 2]" 1
857 1 82 THR HA 1 83 ALA H . . 2.890 2.250 2.059 2.420 . 0 0 "[ . 1 . 2]" 1
858 1 82 THR HA 1 83 ALA MB . . 5.310 4.004 3.804 4.153 . 0 0 "[ . 1 . 2]" 1
859 1 82 THR HB 1 83 ALA H . . 3.310 3.081 2.725 3.389 0.079 15 0 "[ . 1 . 2]" 1
860 1 82 THR MG 1 83 ALA H . . 4.190 4.176 4.042 4.285 0.095 19 0 "[ . 1 . 2]" 1
861 1 83 ALA HA 1 84 TYR H . . 2.840 2.645 2.329 2.900 0.060 12 0 "[ . 1 . 2]" 1
862 1 83 ALA MB 1 84 TYR H . . 3.530 2.327 2.055 3.065 . 0 0 "[ . 1 . 2]" 1
863 1 83 ALA MB 1 85 ILE MG . . 4.080 3.367 2.454 4.113 0.033 9 0 "[ . 1 . 2]" 1
864 1 84 TYR H 1 84 TYR HB3 . . 3.170 2.811 2.407 3.026 . 0 0 "[ . 1 . 2]" 1
865 1 84 TYR H 1 84 TYR QD . . 3.590 2.534 2.061 3.124 . 0 0 "[ . 1 . 2]" 1
866 1 84 TYR H 1 85 ILE H . . 4.810 4.480 4.289 4.748 . 0 0 "[ . 1 . 2]" 1
867 1 84 TYR H 1 85 ILE MG . . 5.500 4.368 3.895 4.928 . 0 0 "[ . 1 . 2]" 1
868 1 84 TYR HA 1 84 TYR QD . . 3.990 3.712 3.676 3.760 . 0 0 "[ . 1 . 2]" 1
869 1 84 TYR HA 1 85 ILE H . . 3.000 2.357 2.243 2.493 . 0 0 "[ . 1 . 2]" 1
870 1 84 TYR HA 1 85 ILE HG13 . . 5.340 4.869 4.439 5.386 0.046 7 0 "[ . 1 . 2]" 1
871 1 84 TYR HB3 1 85 ILE H . . 5.410 4.072 3.900 4.251 . 0 0 "[ . 1 . 2]" 1
872 1 84 TYR QD 1 85 ILE H . . 5.500 3.040 2.732 3.215 . 0 0 "[ . 1 . 2]" 1
873 1 84 TYR QE 1 85 ILE HA . . 4.450 4.381 4.006 4.550 0.100 14 0 "[ . 1 . 2]" 1
874 1 85 ILE H 1 85 ILE HG13 . . 3.670 2.834 2.537 3.323 . 0 0 "[ . 1 . 2]" 1
875 1 85 ILE H 1 85 ILE MG . . 3.750 3.154 2.891 3.377 . 0 0 "[ . 1 . 2]" 1
876 1 85 ILE HA 1 85 ILE MD . . 4.620 4.211 4.076 4.292 . 0 0 "[ . 1 . 2]" 1
877 1 85 ILE HA 1 85 ILE MG . . 3.320 2.277 2.190 2.335 . 0 0 "[ . 1 . 2]" 1
878 1 85 ILE HA 1 86 ARG H . . 3.110 2.347 2.139 2.579 . 0 0 "[ . 1 . 2]" 1
879 1 85 ILE HB 1 85 ILE MD . . 3.570 2.399 2.260 2.665 . 0 0 "[ . 1 . 2]" 1
880 1 85 ILE HB 1 86 ARG H . . 3.510 2.401 2.176 2.827 . 0 0 "[ . 1 . 2]" 1
881 1 85 ILE MD 1 85 ILE MG . . 2.430 2.154 2.021 2.452 0.022 17 0 "[ . 1 . 2]" 1
882 1 85 ILE HG13 1 87 VAL H . . 4.900 4.862 4.291 4.982 0.082 15 0 "[ . 1 . 2]" 1
883 1 85 ILE MG 1 86 ARG H . . 4.560 3.578 3.425 3.866 . 0 0 "[ . 1 . 2]" 1
884 1 86 ARG H 1 86 ARG HG3 . . 4.000 3.741 2.718 4.072 0.072 16 0 "[ . 1 . 2]" 1
885 1 86 ARG HA 1 86 ARG HD3 . . 4.130 3.479 2.409 4.201 0.071 8 0 "[ . 1 . 2]" 1
886 1 86 ARG HA 1 87 VAL H . . 3.000 2.224 2.114 2.370 . 0 0 "[ . 1 . 2]" 1
887 1 86 ARG HA 1 87 VAL HB . . 4.970 4.384 4.174 4.561 . 0 0 "[ . 1 . 2]" 1
888 1 86 ARG HA 1 87 VAL QG . . 4.710 3.843 3.323 4.274 . 0 0 "[ . 1 . 2]" 1
889 1 87 VAL H 1 87 VAL HB . . 3.280 2.449 2.210 2.710 . 0 0 "[ . 1 . 2]" 1
890 1 87 VAL H 1 87 VAL QG . . 3.590 2.562 2.014 2.941 . 0 0 "[ . 1 . 2]" 1
891 1 87 VAL HA 1 88 LYS H . . 3.050 2.303 2.184 2.433 . 0 0 "[ . 1 . 2]" 1
892 1 88 LYS H 1 88 LYS HB3 . . 3.830 3.582 3.423 3.823 . 0 0 "[ . 1 . 2]" 1
893 1 88 LYS H 1 88 LYS HG3 . . 4.660 2.968 2.379 3.670 . 0 0 "[ . 1 . 2]" 1
894 1 88 LYS HA 1 89 VAL H . . 2.870 2.441 2.173 2.731 . 0 0 "[ . 1 . 2]" 1
895 1 88 LYS HA 1 89 VAL MG2 . . 4.650 3.609 3.332 3.884 . 0 0 "[ . 1 . 2]" 1
896 1 88 LYS HB3 1 89 VAL H . . 3.570 3.591 2.659 3.651 0.081 14 0 "[ . 1 . 2]" 1
897 1 88 LYS HG3 1 89 VAL H . . 5.340 3.957 3.362 4.673 . 0 0 "[ . 1 . 2]" 1
898 1 89 VAL H 1 89 VAL HB . . 3.110 2.502 2.378 2.655 . 0 0 "[ . 1 . 2]" 1
899 1 89 VAL H 1 89 VAL MG1 . . 3.840 3.779 3.702 3.843 0.003 16 0 "[ . 1 . 2]" 1
900 1 89 VAL H 1 89 VAL MG2 . . 3.080 2.313 2.065 2.685 . 0 0 "[ . 1 . 2]" 1
901 1 89 VAL H 1 90 ASP H . . 4.370 4.423 3.823 4.463 0.093 17 0 "[ . 1 . 2]" 1
902 1 89 VAL HA 1 89 VAL MG1 . . 3.410 2.361 2.297 2.469 . 0 0 "[ . 1 . 2]" 1
903 1 89 VAL HA 1 89 VAL MG2 . . 3.340 2.463 2.348 2.584 . 0 0 "[ . 1 . 2]" 1
904 1 89 VAL HA 1 90 ASP H . . 2.820 2.212 2.082 2.325 . 0 0 "[ . 1 . 2]" 1
905 1 89 VAL HA 1 90 ASP HB3 . . 4.620 4.652 3.796 5.183 0.563 4 1 "[ +. 1 . 2]" 1
906 1 89 VAL HB 1 90 ASP H . . 4.270 3.856 3.577 4.349 0.079 18 0 "[ . 1 . 2]" 1
907 1 89 VAL MG1 1 90 ASP H . . 3.630 2.374 2.021 3.577 . 0 0 "[ . 1 . 2]" 1
908 1 89 VAL MG1 1 90 ASP HA . . 5.500 4.207 3.939 4.989 . 0 0 "[ . 1 . 2]" 1
909 1 89 VAL MG2 1 90 ASP H . . 4.370 4.005 3.810 4.321 . 0 0 "[ . 1 . 2]" 1
910 1 90 ASP H 1 90 ASP HB3 . . 3.520 2.534 2.195 2.871 . 0 0 "[ . 1 . 2]" 1
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