NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394804 |
1ri0   |
5902 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ri0
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 883
_Distance_constraint_stats_list.Viol_count 1577
_Distance_constraint_stats_list.Viol_total 3432.454
_Distance_constraint_stats_list.Viol_max 0.971
_Distance_constraint_stats_list.Viol_rms 0.0565
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.1088
_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 11 MET 2.109 0.442 2 0 "[ . 1 . 2]"
1 12 SER 0.223 0.115 2 0 "[ . 1 . 2]"
1 13 ARG 0.085 0.056 11 0 "[ . 1 . 2]"
1 14 SER 0.085 0.056 11 0 "[ . 1 . 2]"
1 15 ASN 1.482 0.774 2 2 "[ + .- 1 . 2]"
1 16 ARG 4.838 0.774 2 2 "[ + .- 1 . 2]"
1 17 GLN 3.013 0.379 12 0 "[ . 1 . 2]"
1 18 LYS 5.391 0.532 19 1 "[ . 1 . +2]"
1 19 GLU 10.607 0.532 19 1 "[ . 1 . +2]"
1 20 TYR 4.229 0.848 3 4 "[ +*. 1- .* 2]"
1 21 LYS 3.859 0.848 3 4 "[ +*. 1- .* 2]"
1 22 CYS 0.089 0.069 15 0 "[ . 1 . 2]"
1 23 GLY 0.072 0.046 16 0 "[ . 1 . 2]"
1 24 ASP 0.617 0.085 14 0 "[ . 1 . 2]"
1 25 LEU 0.148 0.050 10 0 "[ . 1 . 2]"
1 26 VAL 0.084 0.042 8 0 "[ . 1 . 2]"
1 27 PHE 0.039 0.039 11 0 "[ . 1 . 2]"
1 28 ALA 2.363 0.159 10 0 "[ . 1 . 2]"
1 29 LYS 7.843 0.278 9 0 "[ . 1 . 2]"
1 30 MET 10.698 0.519 5 1 "[ + 1 . 2]"
1 31 LYS 7.578 0.519 5 1 "[ + 1 . 2]"
1 32 GLY 0.096 0.065 1 0 "[ . 1 . 2]"
1 33 TYR 5.115 0.411 14 0 "[ . 1 . 2]"
1 34 PRO 3.659 0.224 15 0 "[ . 1 . 2]"
1 35 HIS 2.242 0.206 14 0 "[ . 1 . 2]"
1 36 TRP 1.062 0.224 4 0 "[ . 1 . 2]"
1 37 PRO 1.495 0.128 13 0 "[ . 1 . 2]"
1 38 ALA 2.583 0.159 10 0 "[ . 1 . 2]"
1 39 ARG 3.034 0.643 1 1 "[+ . 1 . 2]"
1 40 ILE 4.478 0.259 11 0 "[ . 1 . 2]"
1 41 ASP 2.446 0.458 1 0 "[ . 1 . 2]"
1 42 GLU 4.234 0.947 17 1 "[ . 1 . + 2]"
1 43 MET 4.195 0.947 17 4 "[ . 1 -* . + *2]"
1 44 PRO 3.077 0.693 13 3 "[ . 1 -+ . *2]"
1 45 GLU 5.881 0.971 17 4 "[ . 1 *.*+ -2]"
1 46 ALA 1.838 0.327 18 0 "[ . 1 . 2]"
1 47 ALA 1.820 0.121 13 0 "[ . 1 . 2]"
1 48 VAL 7.313 0.815 20 5 "[ -. 1 * . **+]"
1 49 LYS 11.147 0.971 17 8 "[ *. 1 * *.-+***]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 0.272 0.059 19 0 "[ . 1 . 2]"
1 52 ALA 2.231 0.402 20 0 "[ . 1 . 2]"
1 53 ASN 9.072 0.582 15 2 "[ .- 1 + 2]"
1 54 LYS 6.314 0.582 15 2 "[ .- 1 + 2]"
1 55 TYR 0.096 0.096 15 0 "[ . 1 . 2]"
1 56 GLN 2.781 0.458 1 0 "[ . 1 . 2]"
1 57 VAL 5.986 0.643 1 1 "[+ . 1 . 2]"
1 58 PHE 2.896 0.231 14 0 "[ . 1 . 2]"
1 59 PHE 7.470 0.325 16 0 "[ . 1 . 2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.553 0.125 8 0 "[ . 1 . 2]"
1 62 THR 3.595 0.812 1 3 "[+ . 1 - . * 2]"
1 63 HIS 5.870 0.707 12 4 "[- . * 1 + . * 2]"
1 64 GLU 7.096 0.812 1 4 "[+ . * 1 - . * 2]"
1 65 THR 2.187 0.364 12 0 "[ . 1 . 2]"
1 66 ALA 1.149 0.127 16 0 "[ . 1 . 2]"
1 67 PHE 0.941 0.226 1 0 "[ . 1 . 2]"
1 68 LEU 0.884 0.239 16 0 "[ . 1 . 2]"
1 69 GLY 0.942 0.140 11 0 "[ . 1 . 2]"
1 70 PRO 0.635 0.101 13 0 "[ . 1 . 2]"
1 71 LYS 3.298 0.418 10 0 "[ . 1 . 2]"
1 72 ASP 0.006 0.006 13 0 "[ . 1 . 2]"
1 73 LEU 6.720 0.418 10 0 "[ . 1 . 2]"
1 74 PHE 0.475 0.078 14 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 0.669 0.062 3 0 "[ . 1 . 2]"
1 77 GLU 2.562 0.965 6 2 "[ .+ 1 .- 2]"
1 78 GLU 0.745 0.062 3 0 "[ . 1 . 2]"
1 79 SER 0.393 0.030 9 0 "[ . 1 . 2]"
1 80 LYS 2.432 0.965 6 2 "[ .+ 1 .- 2]"
1 81 GLU 2.446 0.245 7 0 "[ . 1 . 2]"
1 82 LYS 20.980 0.925 3 12 "[**+*.* **1 *- . ***2]"
1 83 PHE 3.756 0.785 13 2 "[ . -1 + . 2]"
1 84 GLY 8.920 0.925 3 9 "[-*+*. **1 ** . *2]"
1 85 LYS 3.099 0.579 7 3 "[ * .-+ 1 . 2]"
1 86 PRO 3.337 0.164 7 0 "[ . 1 . 2]"
1 87 ASN 6.006 0.224 15 0 "[ . 1 . 2]"
1 88 LYS 4.432 0.919 14 3 "[ . * +. -2]"
1 89 ARG 5.403 0.919 14 4 "[- . * +. *2]"
1 90 LYS 0.636 0.050 5 0 "[ . 1 . 2]"
1 91 GLY 1.661 0.135 13 0 "[ . 1 . 2]"
1 92 PHE 4.864 0.178 18 0 "[ . 1 . 2]"
1 93 SER 2.645 0.160 19 0 "[ . 1 . 2]"
1 94 GLU 1.966 0.161 17 0 "[ . 1 . 2]"
1 95 GLY 0.642 0.125 8 0 "[ . 1 . 2]"
1 96 LEU 6.386 0.690 19 2 "[ . - 1 . +2]"
1 97 TRP 4.394 0.690 19 2 "[ . - 1 . +2]"
1 98 GLU 2.654 0.542 17 1 "[ . 1 . + 2]"
1 99 ILE 2.015 0.131 1 0 "[ . 1 . 2]"
1 100 GLU 1.614 0.542 17 1 "[ . 1 . + 2]"
1 101 ASN 2.653 0.131 1 0 "[ . 1 . 2]"
1 102 ASN 1.214 0.240 10 0 "[ . 1 . 2]"
1 103 PRO 0.062 0.038 15 0 "[ . 1 . 2]"
1 104 THR 0.104 0.026 10 0 "[ . 1 . 2]"
1 105 VAL 3.760 0.889 15 2 "[ .- 1 + 2]"
1 106 LYS 5.108 0.889 15 2 "[ .- 1 + 2]"
1 107 ALA 2.418 0.705 15 1 "[ . 1 + 2]"
1 108 SER 3.066 0.859 1 1 "[+ . 1 . 2]"
1 109 GLY 3.066 0.859 1 1 "[+ . 1 . 2]"
1 110 TYR 3.467 0.182 6 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 11 MET H 1 11 MET HG2 . . 4.890 4.709 3.449 5.332 0.442 2 0 "[ . 1 . 2]" 1
2 1 11 MET HA 1 12 SER H . . 3.490 2.425 2.203 3.513 0.023 1 0 "[ . 1 . 2]" 1
3 1 11 MET HB2 1 12 SER H . . 4.630 4.253 2.738 4.745 0.115 2 0 "[ . 1 . 2]" 1
4 1 12 SER H 1 12 SER HB2 . . 4.050 3.242 2.180 4.061 0.011 5 0 "[ . 1 . 2]" 1
5 1 12 SER HA 1 13 ARG H . . 4.110 2.372 2.221 2.585 . 0 0 "[ . 1 . 2]" 1
6 1 12 SER HB2 1 13 ARG H . . 4.750 3.693 2.447 4.565 . 0 0 "[ . 1 . 2]" 1
7 1 12 SER HB3 1 13 ARG H . . 4.640 3.640 2.323 4.634 . 0 0 "[ . 1 . 2]" 1
8 1 13 ARG H 1 13 ARG HG2 . . 4.630 2.375 1.968 3.428 . 0 0 "[ . 1 . 2]" 1
9 1 13 ARG HA 1 14 SER H . . 3.700 2.423 2.231 2.565 . 0 0 "[ . 1 . 2]" 1
10 1 13 ARG HB2 1 14 SER H . . 5.180 2.750 2.397 3.459 . 0 0 "[ . 1 . 2]" 1
11 1 13 ARG HB3 1 14 SER H . . 5.000 4.004 3.818 4.341 . 0 0 "[ . 1 . 2]" 1
12 1 13 ARG HG2 1 14 SER H . . 4.800 4.303 3.826 4.784 . 0 0 "[ . 1 . 2]" 1
13 1 13 ARG HG3 1 14 SER H . . 4.690 4.058 3.212 4.746 0.056 11 0 "[ . 1 . 2]" 1
14 1 14 SER HA 1 15 ASN H . . 4.560 2.311 2.214 2.575 . 0 0 "[ . 1 . 2]" 1
15 1 15 ASN HB2 1 15 ASN HD21 . . 3.630 2.359 2.103 3.567 . 0 0 "[ . 1 . 2]" 1
16 1 15 ASN HB2 1 16 ARG H . . 4.430 2.374 1.926 3.230 . 0 0 "[ . 1 . 2]" 1
17 1 15 ASN HB3 1 16 ARG H . . 4.980 3.747 3.440 4.223 . 0 0 "[ . 1 . 2]" 1
18 1 15 ASN HD21 1 16 ARG H . . 5.500 3.220 2.570 4.321 . 0 0 "[ . 1 . 2]" 1
19 1 15 ASN HD21 1 16 ARG HA . . 5.450 4.303 3.590 5.459 0.009 6 0 "[ . 1 . 2]" 1
20 1 15 ASN HD21 1 16 ARG HG2 . . 4.550 3.767 3.017 5.324 0.774 2 2 "[ + .- 1 . 2]" 1
21 1 15 ASN HD22 1 16 ARG HA . . 5.420 5.185 4.389 5.447 0.027 9 0 "[ . 1 . 2]" 1
22 1 16 ARG H 1 16 ARG HG2 . . 4.440 2.527 2.089 2.976 . 0 0 "[ . 1 . 2]" 1
23 1 16 ARG H 1 17 GLN H . . 4.560 4.525 4.435 4.649 0.089 6 0 "[ . 1 . 2]" 1
24 1 16 ARG HA 1 17 GLN H . . 3.260 2.710 2.447 2.765 . 0 0 "[ . 1 . 2]" 1
25 1 16 ARG HA 1 17 GLN QE . . 4.880 2.753 2.484 3.036 . 0 0 "[ . 1 . 2]" 1
26 1 16 ARG HB2 1 17 GLN H . . 4.260 2.205 1.932 2.647 . 0 0 "[ . 1 . 2]" 1
27 1 16 ARG HB2 1 17 GLN QE . . 5.370 2.444 1.909 2.840 . 0 0 "[ . 1 . 2]" 1
28 1 16 ARG HB2 1 19 GLU H . . 4.190 3.331 2.984 3.888 . 0 0 "[ . 1 . 2]" 1
29 1 16 ARG HB2 1 19 GLU HA . . 5.000 4.888 4.514 5.208 0.208 16 0 "[ . 1 . 2]" 1
30 1 16 ARG HB2 1 19 GLU QG . . 3.940 2.494 1.740 3.889 . 0 0 "[ . 1 . 2]" 1
31 1 16 ARG HD2 1 19 GLU HA . . 5.190 5.085 4.624 5.273 0.083 9 0 "[ . 1 . 2]" 1
32 1 16 ARG HD3 1 17 GLN H . . 5.170 5.049 4.736 5.304 0.134 6 0 "[ . 1 . 2]" 1
33 1 16 ARG HG2 1 17 GLN H . . 4.790 3.443 3.062 4.421 . 0 0 "[ . 1 . 2]" 1
34 1 16 ARG HG2 1 17 GLN QE . . 5.100 4.567 4.299 4.697 . 0 0 "[ . 1 . 2]" 1
35 1 16 ARG HG3 1 17 GLN H . . 4.710 3.195 2.649 3.967 . 0 0 "[ . 1 . 2]" 1
36 1 16 ARG HG3 1 17 GLN QE . . 5.220 3.982 3.215 4.420 . 0 0 "[ . 1 . 2]" 1
37 1 16 ARG HG3 1 19 GLU H . . 4.040 3.140 2.510 3.949 . 0 0 "[ . 1 . 2]" 1
38 1 16 ARG HG3 1 19 GLU HA . . 4.130 4.208 3.299 4.422 0.292 16 0 "[ . 1 . 2]" 1
39 1 17 GLN H 1 17 GLN HB3 . . 4.190 3.263 2.564 3.670 . 0 0 "[ . 1 . 2]" 1
40 1 17 GLN H 1 17 GLN QE . . 5.000 1.914 1.736 2.345 . 0 0 "[ . 1 . 2]" 1
41 1 17 GLN H 1 17 GLN HG2 . . 4.300 2.566 2.184 3.603 . 0 0 "[ . 1 . 2]" 1
42 1 17 GLN H 1 19 GLU QG . . 5.010 3.246 2.571 4.465 . 0 0 "[ . 1 . 2]" 1
43 1 17 GLN HA 1 17 GLN HG2 . . 4.090 3.754 3.627 3.966 . 0 0 "[ . 1 . 2]" 1
44 1 17 GLN HA 1 18 LYS H . . 3.960 3.572 3.323 3.646 . 0 0 "[ . 1 . 2]" 1
45 1 17 GLN HB2 1 18 LYS HB3 . . 4.930 3.948 3.266 4.972 0.042 17 0 "[ . 1 . 2]" 1
46 1 17 GLN HB2 1 18 LYS HD2 . . 5.000 3.638 2.126 5.283 0.283 17 0 "[ . 1 . 2]" 1
47 1 17 GLN HB3 1 19 GLU H . . 5.500 5.356 4.513 5.718 0.218 9 0 "[ . 1 . 2]" 1
48 1 17 GLN QE 1 18 LYS H . . 5.500 2.984 2.180 3.905 . 0 0 "[ . 1 . 2]" 1
49 1 17 GLN QE 1 19 GLU H . . 4.320 2.878 2.601 4.164 . 0 0 "[ . 1 . 2]" 1
50 1 17 GLN HG2 1 18 LYS H . . 5.000 2.393 1.829 4.073 . 0 0 "[ . 1 . 2]" 1
51 1 17 GLN HG2 1 19 GLU QG . . 5.000 3.904 3.187 5.379 0.379 12 0 "[ . 1 . 2]" 1
52 1 17 GLN HG3 1 18 LYS H . . 3.940 3.418 2.351 3.882 . 0 0 "[ . 1 . 2]" 1
53 1 18 LYS H 1 18 LYS HB3 . . 4.220 3.175 2.137 3.690 . 0 0 "[ . 1 . 2]" 1
54 1 18 LYS H 1 18 LYS HD2 . . 5.000 2.878 1.878 3.681 . 0 0 "[ . 1 . 2]" 1
55 1 18 LYS H 1 18 LYS HG3 . . 4.630 3.030 1.870 4.085 . 0 0 "[ . 1 . 2]" 1
56 1 18 LYS H 1 19 GLU HA . . 4.480 4.460 4.263 4.980 0.500 17 0 "[ . 1 . 2]" 1
57 1 18 LYS HA 1 18 LYS HD2 . . 4.800 4.155 3.486 4.917 0.117 15 0 "[ . 1 . 2]" 1
58 1 18 LYS HA 1 18 LYS HG2 . . 4.360 3.852 3.505 4.255 . 0 0 "[ . 1 . 2]" 1
59 1 18 LYS HA 1 19 GLU H . . 3.470 3.475 3.134 3.596 0.126 3 0 "[ . 1 . 2]" 1
60 1 18 LYS HB3 1 19 GLU H . . 4.910 4.245 4.024 4.658 . 0 0 "[ . 1 . 2]" 1
61 1 18 LYS HD2 1 19 GLU QG . . 5.470 4.243 2.048 5.326 . 0 0 "[ . 1 . 2]" 1
62 1 18 LYS HD3 1 19 GLU H . . 3.760 3.183 1.979 3.841 0.081 3 0 "[ . 1 . 2]" 1
63 1 18 LYS HD3 1 19 GLU QG . . 5.330 4.048 2.075 4.803 . 0 0 "[ . 1 . 2]" 1
64 1 18 LYS HE2 1 19 GLU H . . 5.500 4.957 3.695 5.516 0.016 4 0 "[ . 1 . 2]" 1
65 1 18 LYS HE3 1 19 GLU H . . 5.480 5.016 4.127 5.559 0.079 10 0 "[ . 1 . 2]" 1
66 1 18 LYS HG2 1 19 GLU H . . 4.680 3.317 1.840 5.212 0.532 19 1 "[ . 1 . +2]" 1
67 1 18 LYS HG3 1 19 GLU H . . 5.200 3.608 2.429 5.222 0.022 6 0 "[ . 1 . 2]" 1
68 1 19 GLU H 1 19 GLU QG . . 5.000 2.258 1.819 3.719 . 0 0 "[ . 1 . 2]" 1
69 1 19 GLU H 1 20 TYR H . . 4.990 4.446 4.073 4.628 . 0 0 "[ . 1 . 2]" 1
70 1 19 GLU H 1 20 TYR QD . . 5.500 5.307 5.024 5.627 0.127 9 0 "[ . 1 . 2]" 1
71 1 19 GLU HA 1 20 TYR H . . 3.540 2.314 2.201 2.789 . 0 0 "[ . 1 . 2]" 1
72 1 19 GLU HA 1 20 TYR HA . . 5.260 4.431 4.324 4.579 . 0 0 "[ . 1 . 2]" 1
73 1 19 GLU QG 1 20 TYR HA . . 5.160 4.417 3.471 5.094 . 0 0 "[ . 1 . 2]" 1
74 1 20 TYR H 1 20 TYR QD . . 4.640 2.093 1.880 2.983 . 0 0 "[ . 1 . 2]" 1
75 1 20 TYR H 1 21 LYS H . . 5.270 4.324 4.045 4.649 . 0 0 "[ . 1 . 2]" 1
76 1 20 TYR H 1 21 LYS QB . . 5.250 4.937 4.625 5.201 . 0 0 "[ . 1 . 2]" 1
77 1 20 TYR HA 1 21 LYS H . . 4.130 2.248 2.187 2.508 . 0 0 "[ . 1 . 2]" 1
78 1 20 TYR HA 1 21 LYS HG2 . . 4.920 4.950 4.146 5.768 0.848 3 4 "[ +*. 1- .* 2]" 1
79 1 20 TYR HB2 1 21 LYS H . . 4.570 3.369 2.476 3.791 . 0 0 "[ . 1 . 2]" 1
80 1 20 TYR QD 1 21 LYS H . . 5.270 4.268 3.696 4.706 . 0 0 "[ . 1 . 2]" 1
81 1 20 TYR QD 1 73 LEU HB3 . . 5.000 4.942 4.709 5.051 0.051 3 0 "[ . 1 . 2]" 1
82 1 20 TYR QD 1 73 LEU QD . . 5.000 3.697 3.202 4.643 . 0 0 "[ . 1 . 2]" 1
83 1 20 TYR QE 1 73 LEU HB3 . . 5.000 4.626 4.157 5.011 0.011 10 0 "[ . 1 . 2]" 1
84 1 20 TYR QE 1 73 LEU QD . . 5.000 3.309 2.255 4.572 . 0 0 "[ . 1 . 2]" 1
85 1 21 LYS H 1 22 CYS H . . 5.060 4.397 4.365 4.525 . 0 0 "[ . 1 . 2]" 1
86 1 21 LYS HA 1 22 CYS H . . 3.960 2.611 2.425 2.674 . 0 0 "[ . 1 . 2]" 1
87 1 21 LYS QB 1 21 LYS HD2 . . 3.500 3.023 2.128 3.509 0.009 2 0 "[ . 1 . 2]" 1
88 1 21 LYS QB 1 21 LYS QE . . 3.370 2.315 1.910 3.125 . 0 0 "[ . 1 . 2]" 1
89 1 21 LYS QB 1 22 CYS H . . 4.100 2.313 2.089 2.796 . 0 0 "[ . 1 . 2]" 1
90 1 21 LYS HD2 1 22 CYS H . . 5.200 4.288 2.282 5.031 . 0 0 "[ . 1 . 2]" 1
91 1 21 LYS HD3 1 22 CYS H . . 5.020 4.037 2.362 4.994 . 0 0 "[ . 1 . 2]" 1
92 1 21 LYS QE 1 21 LYS HG3 . . 3.690 3.037 2.107 3.519 . 0 0 "[ . 1 . 2]" 1
93 1 21 LYS QE 1 22 CYS HA . . 4.990 4.573 4.134 4.845 . 0 0 "[ . 1 . 2]" 1
94 1 21 LYS HG3 1 22 CYS H . . 5.060 4.225 3.161 4.759 . 0 0 "[ . 1 . 2]" 1
95 1 22 CYS H 1 22 CYS HB2 . . 4.390 2.491 2.081 3.574 . 0 0 "[ . 1 . 2]" 1
96 1 22 CYS H 1 23 GLY H . . 5.010 4.619 4.503 4.665 . 0 0 "[ . 1 . 2]" 1
97 1 22 CYS H 1 40 ILE MD . . 4.880 4.414 3.860 4.882 0.002 10 0 "[ . 1 . 2]" 1
98 1 22 CYS H 1 40 ILE QG . . 6.000 5.673 5.259 6.017 0.017 8 0 "[ . 1 . 2]" 1
99 1 22 CYS H 1 40 ILE MG . . 4.700 3.452 3.116 3.877 . 0 0 "[ . 1 . 2]" 1
100 1 22 CYS HA 1 23 GLY H . . 3.940 2.293 2.222 2.365 . 0 0 "[ . 1 . 2]" 1
101 1 22 CYS HA 1 24 ASP H . . 4.830 3.202 3.079 3.404 . 0 0 "[ . 1 . 2]" 1
102 1 22 CYS HA 1 40 ILE MG . . 4.960 1.884 1.811 2.033 . 0 0 "[ . 1 . 2]" 1
103 1 22 CYS HB3 1 23 GLY H . . 5.060 3.954 3.564 4.290 . 0 0 "[ . 1 . 2]" 1
104 1 22 CYS HB3 1 24 ASP H . . 5.500 5.228 4.984 5.569 0.069 15 0 "[ . 1 . 2]" 1
105 1 22 CYS HB3 1 40 ILE MG . . 4.670 4.189 3.643 4.527 . 0 0 "[ . 1 . 2]" 1
106 1 23 GLY H 1 24 ASP H . . 4.200 2.461 2.174 2.655 . 0 0 "[ . 1 . 2]" 1
107 1 23 GLY H 1 40 ILE HB . . 5.100 4.527 4.240 4.834 . 0 0 "[ . 1 . 2]" 1
108 1 23 GLY H 1 40 ILE MD . . 4.900 4.584 3.858 4.946 0.046 16 0 "[ . 1 . 2]" 1
109 1 23 GLY H 1 40 ILE MG . . 5.000 2.123 1.875 2.398 . 0 0 "[ . 1 . 2]" 1
110 1 23 GLY HA2 1 24 ASP H . . 5.500 3.387 3.272 3.527 . 0 0 "[ . 1 . 2]" 1
111 1 23 GLY HA3 1 24 ASP H . . 4.710 3.314 3.123 3.430 . 0 0 "[ . 1 . 2]" 1
112 1 24 ASP H 1 25 LEU H . . 5.030 4.570 4.462 4.647 . 0 0 "[ . 1 . 2]" 1
113 1 24 ASP H 1 40 ILE H . . 4.600 3.930 3.526 4.390 . 0 0 "[ . 1 . 2]" 1
114 1 24 ASP H 1 40 ILE HB . . 4.400 3.560 3.115 3.890 . 0 0 "[ . 1 . 2]" 1
115 1 24 ASP H 1 40 ILE MD . . 5.020 4.725 4.391 4.955 . 0 0 "[ . 1 . 2]" 1
116 1 24 ASP H 1 40 ILE HG13 . . 5.030 4.929 4.636 5.074 0.044 10 0 "[ . 1 . 2]" 1
117 1 24 ASP H 1 40 ILE MG . . 5.250 1.931 1.843 2.151 . 0 0 "[ . 1 . 2]" 1
118 1 24 ASP HA 1 25 LEU H . . 4.130 2.333 2.258 2.587 . 0 0 "[ . 1 . 2]" 1
119 1 24 ASP HA 1 40 ILE HB . . 4.950 4.943 4.671 5.035 0.085 14 0 "[ . 1 . 2]" 1
120 1 24 ASP HB3 1 25 LEU H . . 4.970 4.152 3.593 4.411 . 0 0 "[ . 1 . 2]" 1
121 1 24 ASP HB3 1 40 ILE HB . . 4.930 2.856 2.319 3.222 . 0 0 "[ . 1 . 2]" 1
122 1 25 LEU H 1 25 LEU QD . . 4.750 3.500 3.064 3.882 . 0 0 "[ . 1 . 2]" 1
123 1 25 LEU H 1 25 LEU HG . . 4.950 4.676 4.193 5.000 0.050 10 0 "[ . 1 . 2]" 1
124 1 25 LEU H 1 26 VAL H . . 5.000 4.475 4.277 4.558 . 0 0 "[ . 1 . 2]" 1
125 1 25 LEU H 1 26 VAL QG . . 4.880 3.878 3.467 4.672 . 0 0 "[ . 1 . 2]" 1
126 1 25 LEU HA 1 26 VAL H . . 4.680 2.237 2.193 2.281 . 0 0 "[ . 1 . 2]" 1
127 1 25 LEU HA 1 26 VAL QG . . 4.790 3.381 3.005 4.271 . 0 0 "[ . 1 . 2]" 1
128 1 25 LEU HA 1 39 ARG HA . . 3.000 2.293 1.999 2.465 . 0 0 "[ . 1 . 2]" 1
129 1 25 LEU HA 1 40 ILE H . . 3.750 3.057 2.677 3.472 . 0 0 "[ . 1 . 2]" 1
130 1 25 LEU HB3 1 99 ILE MD . . 4.960 4.019 3.423 4.839 . 0 0 "[ . 1 . 2]" 1
131 1 25 LEU QD 1 26 VAL H . . 4.580 1.840 1.730 2.027 . 0 0 "[ . 1 . 2]" 1
132 1 25 LEU QD 1 26 VAL QG . . 4.580 3.295 2.976 3.916 . 0 0 "[ . 1 . 2]" 1
133 1 25 LEU QD 1 37 PRO HB2 . . 4.330 3.317 2.968 3.623 . 0 0 "[ . 1 . 2]" 1
134 1 25 LEU QD 1 37 PRO HB3 . . 4.130 3.767 3.376 4.178 0.048 19 0 "[ . 1 . 2]" 1
135 1 25 LEU QD 1 73 LEU QD . . 4.790 4.162 3.849 4.420 . 0 0 "[ . 1 . 2]" 1
136 1 25 LEU QD 1 99 ILE MD . . 4.900 2.488 1.922 3.332 . 0 0 "[ . 1 . 2]" 1
137 1 25 LEU QD 1 99 ILE HG12 . . 5.500 2.972 1.856 3.548 . 0 0 "[ . 1 . 2]" 1
138 1 25 LEU QD 1 99 ILE HG13 . . 5.290 2.107 1.734 2.461 . 0 0 "[ . 1 . 2]" 1
139 1 25 LEU HG 1 99 ILE HG12 . . 6.000 3.189 2.196 5.853 . 0 0 "[ . 1 . 2]" 1
140 1 26 VAL H 1 26 VAL QG . . 4.240 2.418 2.078 3.019 . 0 0 "[ . 1 . 2]" 1
141 1 26 VAL H 1 27 PHE H . . 5.140 4.359 4.347 4.379 . 0 0 "[ . 1 . 2]" 1
142 1 26 VAL H 1 38 ALA H . . 4.210 3.814 3.664 4.025 . 0 0 "[ . 1 . 2]" 1
143 1 26 VAL H 1 38 ALA MB . . 5.230 4.560 4.429 4.712 . 0 0 "[ . 1 . 2]" 1
144 1 26 VAL H 1 39 ARG HA . . 3.750 3.030 2.705 3.346 . 0 0 "[ . 1 . 2]" 1
145 1 26 VAL HA 1 27 PHE H . . 4.100 2.638 2.617 2.666 . 0 0 "[ . 1 . 2]" 1
146 1 26 VAL HA 1 76 TYR H . . 6.000 4.938 4.392 5.402 . 0 0 "[ . 1 . 2]" 1
147 1 26 VAL HB 1 27 PHE H . . 4.560 2.614 2.116 3.909 . 0 0 "[ . 1 . 2]" 1
148 1 26 VAL HB 1 73 LEU QD . . 5.310 2.957 1.976 3.904 . 0 0 "[ . 1 . 2]" 1
149 1 26 VAL HB 1 74 PHE H . . 5.060 3.783 3.095 5.102 0.042 8 0 "[ . 1 . 2]" 1
150 1 26 VAL QG 1 27 PHE H . . 4.770 2.712 1.817 3.082 . 0 0 "[ . 1 . 2]" 1
151 1 26 VAL QG 1 27 PHE HB2 . . 4.990 4.068 3.159 4.430 . 0 0 "[ . 1 . 2]" 1
152 1 26 VAL QG 1 28 ALA MB . . 5.130 3.756 3.231 4.411 . 0 0 "[ . 1 . 2]" 1
153 1 26 VAL QG 1 38 ALA H . . 5.020 4.337 3.936 4.650 . 0 0 "[ . 1 . 2]" 1
154 1 26 VAL QG 1 73 LEU HA . . 4.910 3.670 2.638 4.237 . 0 0 "[ . 1 . 2]" 1
155 1 26 VAL QG 1 73 LEU QD . . 4.020 1.893 1.633 2.323 . 0 0 "[ . 1 . 2]" 1
156 1 26 VAL QG 1 74 PHE H . . 4.720 3.406 2.024 4.071 . 0 0 "[ . 1 . 2]" 1
157 1 26 VAL QG 1 75 PRO HA . . 4.590 2.226 1.765 2.839 . 0 0 "[ . 1 . 2]" 1
158 1 26 VAL QG 1 75 PRO HB3 . . 5.120 3.292 2.654 3.937 . 0 0 "[ . 1 . 2]" 1
159 1 26 VAL QG 1 76 TYR H . . 6.500 3.399 3.079 3.840 . 0 0 "[ . 1 . 2]" 1
160 1 27 PHE H 1 73 LEU QD . . 5.000 3.685 2.957 4.457 . 0 0 "[ . 1 . 2]" 1
161 1 27 PHE H 1 74 PHE H . . 4.300 3.318 2.964 3.648 . 0 0 "[ . 1 . 2]" 1
162 1 27 PHE HA 1 28 ALA H . . 3.000 2.199 2.193 2.222 . 0 0 "[ . 1 . 2]" 1
163 1 27 PHE HA 1 38 ALA H . . 5.480 2.800 2.545 2.984 . 0 0 "[ . 1 . 2]" 1
164 1 27 PHE HB2 1 28 ALA H . . 5.110 4.567 4.328 4.685 . 0 0 "[ . 1 . 2]" 1
165 1 27 PHE HB2 1 73 LEU QD . . 5.160 4.649 3.872 5.089 . 0 0 "[ . 1 . 2]" 1
166 1 27 PHE HB2 1 74 PHE HB2 . . 4.620 3.941 3.458 4.659 0.039 11 0 "[ . 1 . 2]" 1
167 1 28 ALA H 1 29 LYS H . . 5.300 4.495 4.328 4.606 . 0 0 "[ . 1 . 2]" 1
168 1 28 ALA H 1 35 HIS HA . . 5.440 4.722 4.410 5.149 . 0 0 "[ . 1 . 2]" 1
169 1 28 ALA H 1 36 TRP H . . 4.320 3.360 3.061 3.713 . 0 0 "[ . 1 . 2]" 1
170 1 28 ALA H 1 36 TRP HB2 . . 5.350 5.137 4.879 5.386 0.036 20 0 "[ . 1 . 2]" 1
171 1 28 ALA H 1 38 ALA H . . 5.360 2.593 2.346 2.818 . 0 0 "[ . 1 . 2]" 1
172 1 28 ALA H 1 38 ALA MB . . 5.010 2.865 2.662 3.137 . 0 0 "[ . 1 . 2]" 1
173 1 28 ALA HA 1 29 LYS H . . 3.000 2.247 2.195 2.384 . 0 0 "[ . 1 . 2]" 1
174 1 28 ALA HA 1 38 ALA H . . 5.060 5.159 5.106 5.219 0.159 10 0 "[ . 1 . 2]" 1
175 1 28 ALA HA 1 73 LEU HA . . 3.000 2.454 2.270 2.698 . 0 0 "[ . 1 . 2]" 1
176 1 28 ALA HA 1 73 LEU QD . . 5.000 1.980 1.850 2.261 . 0 0 "[ . 1 . 2]" 1
177 1 28 ALA HA 1 74 PHE H . . 3.750 3.632 3.153 3.828 0.078 14 0 "[ . 1 . 2]" 1
178 1 28 ALA MB 1 29 LYS H . . 4.360 3.052 2.638 3.234 . 0 0 "[ . 1 . 2]" 1
179 1 28 ALA MB 1 38 ALA H . . 5.080 3.282 3.072 3.533 . 0 0 "[ . 1 . 2]" 1
180 1 28 ALA MB 1 38 ALA MB . . 3.790 1.834 1.725 2.185 . 0 0 "[ . 1 . 2]" 1
181 1 28 ALA MB 1 57 VAL HB . . 5.390 4.144 3.856 4.610 . 0 0 "[ . 1 . 2]" 1
182 1 28 ALA MB 1 57 VAL MG2 . . 3.980 2.617 1.959 3.177 . 0 0 "[ . 1 . 2]" 1
183 1 28 ALA MB 1 73 LEU HA . . 5.420 3.476 2.687 4.045 . 0 0 "[ . 1 . 2]" 1
184 1 28 ALA MB 1 73 LEU QD . . 4.010 1.768 1.632 2.092 . 0 0 "[ . 1 . 2]" 1
185 1 28 ALA MB 1 73 LEU HG . . 5.280 3.441 2.081 4.290 . 0 0 "[ . 1 . 2]" 1
186 1 29 LYS H 1 30 MET H . . 5.360 4.429 4.141 4.538 . 0 0 "[ . 1 . 2]" 1
187 1 29 LYS H 1 73 LEU HA . . 3.750 3.833 3.761 3.966 0.216 11 0 "[ . 1 . 2]" 1
188 1 29 LYS HA 1 30 MET H . . 4.010 2.289 2.176 2.460 . 0 0 "[ . 1 . 2]" 1
189 1 29 LYS HA 1 35 HIS HA . . 3.000 2.627 2.232 2.988 . 0 0 "[ . 1 . 2]" 1
190 1 29 LYS HA 1 36 TRP H . . 3.750 3.077 2.443 3.974 0.224 4 0 "[ . 1 . 2]" 1
191 1 29 LYS QB 1 30 MET H . . 4.710 3.349 2.759 3.913 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS QB 1 35 HIS HD2 . . 4.500 3.352 2.198 4.472 . 0 0 "[ . 1 . 2]" 1
193 1 29 LYS QB 1 35 HIS HE1 . . 4.500 3.651 2.525 4.440 . 0 0 "[ . 1 . 2]" 1
194 1 29 LYS HD2 1 30 MET H . . 5.120 5.025 4.166 5.398 0.278 9 0 "[ . 1 . 2]" 1
195 1 29 LYS HD2 1 35 HIS HD2 . . 4.500 3.698 3.071 4.497 . 0 0 "[ . 1 . 2]" 1
196 1 29 LYS HD2 1 35 HIS HE1 . . 4.500 4.218 3.084 4.620 0.120 7 0 "[ . 1 . 2]" 1
197 1 29 LYS HD3 1 30 MET H . . 5.260 5.321 5.012 5.518 0.258 13 0 "[ . 1 . 2]" 1
198 1 29 LYS HD3 1 35 HIS HD2 . . 4.500 4.077 3.091 4.706 0.206 14 0 "[ . 1 . 2]" 1
199 1 29 LYS HD3 1 35 HIS HE1 . . 4.500 4.310 3.383 4.634 0.134 9 0 "[ . 1 . 2]" 1
200 1 30 MET H 1 30 MET HG3 . . 5.040 4.503 4.470 4.561 . 0 0 "[ . 1 . 2]" 1
201 1 30 MET H 1 33 TYR H . . 3.750 3.686 3.530 3.819 0.069 18 0 "[ . 1 . 2]" 1
202 1 30 MET H 1 59 PHE QD . . 6.000 6.130 6.041 6.263 0.263 8 0 "[ . 1 . 2]" 1
203 1 30 MET HA 1 31 LYS H . . 3.540 2.440 2.348 2.541 . 0 0 "[ . 1 . 2]" 1
204 1 30 MET HA 1 68 LEU MD2 . . 5.260 3.198 2.769 3.710 . 0 0 "[ . 1 . 2]" 1
205 1 30 MET HB2 1 33 TYR H . . 5.470 4.928 4.726 5.317 . 0 0 "[ . 1 . 2]" 1
206 1 30 MET HB2 1 66 ALA MB . . 5.410 4.502 4.313 4.870 . 0 0 "[ . 1 . 2]" 1
207 1 30 MET HB2 1 68 LEU HG . . 5.030 5.008 4.473 5.101 0.071 14 0 "[ . 1 . 2]" 1
208 1 30 MET HB3 1 33 TYR H . . 5.010 3.402 3.188 3.924 . 0 0 "[ . 1 . 2]" 1
209 1 30 MET HB3 1 66 ALA MB . . 5.350 5.356 5.177 5.422 0.072 16 0 "[ . 1 . 2]" 1
210 1 30 MET HG2 1 31 LYS HB2 . . 4.510 4.394 3.338 5.029 0.519 5 1 "[ + 1 . 2]" 1
211 1 30 MET HG2 1 59 PHE QE . . 5.420 5.337 4.463 5.645 0.225 4 0 "[ . 1 . 2]" 1
212 1 30 MET HG2 1 59 PHE HZ . . 5.420 5.289 5.065 5.459 0.039 6 0 "[ . 1 . 2]" 1
213 1 30 MET HG2 1 66 ALA MB . . 5.140 4.819 4.518 5.146 0.006 14 0 "[ . 1 . 2]" 1
214 1 30 MET HG2 1 68 LEU MD1 . . 5.390 4.689 4.074 5.389 . 0 0 "[ . 1 . 2]" 1
215 1 30 MET HG2 1 68 LEU MD2 . . 5.250 4.485 3.510 5.111 . 0 0 "[ . 1 . 2]" 1
216 1 30 MET HG3 1 31 LYS HB2 . . 4.690 4.030 3.366 4.852 0.162 13 0 "[ . 1 . 2]" 1
217 1 30 MET HG3 1 59 PHE HZ . . 5.110 5.030 4.620 5.165 0.055 7 0 "[ . 1 . 2]" 1
218 1 30 MET HG3 1 66 ALA MB . . 5.440 4.795 4.322 5.148 . 0 0 "[ . 1 . 2]" 1
219 1 30 MET HG3 1 68 LEU MD1 . . 5.260 3.802 2.700 4.723 . 0 0 "[ . 1 . 2]" 1
220 1 31 LYS H 1 31 LYS HG3 . . 4.910 4.119 3.267 4.487 . 0 0 "[ . 1 . 2]" 1
221 1 31 LYS H 1 32 GLY H . . 4.910 4.550 4.510 4.630 . 0 0 "[ . 1 . 2]" 1
222 1 31 LYS H 1 33 TYR H . . 5.140 4.156 4.053 4.288 . 0 0 "[ . 1 . 2]" 1
223 1 31 LYS HA 1 32 GLY H . . 4.300 2.188 2.177 2.234 . 0 0 "[ . 1 . 2]" 1
224 1 31 LYS HA 1 33 TYR H . . 4.260 3.413 3.195 3.493 . 0 0 "[ . 1 . 2]" 1
225 1 31 LYS HB2 1 32 GLY H . . 4.730 4.427 4.103 4.578 . 0 0 "[ . 1 . 2]" 1
226 1 31 LYS HB2 1 33 TYR H . . 5.000 5.242 4.919 5.411 0.411 14 0 "[ . 1 . 2]" 1
227 1 31 LYS HB3 1 33 TYR H . . 5.500 4.885 4.750 5.022 . 0 0 "[ . 1 . 2]" 1
228 1 31 LYS HD2 1 32 GLY H . . 5.500 4.249 3.190 5.156 . 0 0 "[ . 1 . 2]" 1
229 1 31 LYS HD3 1 32 GLY H . . 5.500 4.522 2.550 5.488 . 0 0 "[ . 1 . 2]" 1
230 1 31 LYS HG3 1 32 GLY H . . 5.500 3.693 2.298 5.565 0.065 1 0 "[ . 1 . 2]" 1
231 1 32 GLY H 1 33 TYR H . . 4.870 2.771 2.724 2.817 . 0 0 "[ . 1 . 2]" 1
232 1 32 GLY HA2 1 33 TYR H . . 4.860 3.471 3.249 3.522 . 0 0 "[ . 1 . 2]" 1
233 1 33 TYR H 1 33 TYR QD . . 5.130 4.150 4.099 4.199 . 0 0 "[ . 1 . 2]" 1
234 1 33 TYR H 1 34 PRO HD2 . . 5.500 5.017 4.900 5.048 . 0 0 "[ . 1 . 2]" 1
235 1 33 TYR HA 1 34 PRO HD2 . . 5.140 2.373 2.232 2.449 . 0 0 "[ . 1 . 2]" 1
236 1 33 TYR HA 1 34 PRO HD3 . . 5.040 1.935 1.915 2.014 . 0 0 "[ . 1 . 2]" 1
237 1 34 PRO HA 1 35 HIS H . . 3.410 2.377 2.309 2.526 . 0 0 "[ . 1 . 2]" 1
238 1 34 PRO HA 1 86 PRO HB2 . . 5.020 5.009 4.853 5.126 0.106 18 0 "[ . 1 . 2]" 1
239 1 34 PRO HA 1 86 PRO HB3 . . 4.580 4.563 4.399 4.691 0.111 11 0 "[ . 1 . 2]" 1
240 1 34 PRO HA 1 87 ASN H . . 5.240 5.349 5.197 5.464 0.224 15 0 "[ . 1 . 2]" 1
241 1 34 PRO HB2 1 86 PRO HB2 . . 4.000 2.597 2.383 2.774 . 0 0 "[ . 1 . 2]" 1
242 1 34 PRO HB2 1 87 ASN HD21 . . 4.350 2.563 1.923 4.256 . 0 0 "[ . 1 . 2]" 1
243 1 34 PRO HB3 1 35 HIS H . . 4.450 3.483 3.298 3.581 . 0 0 "[ . 1 . 2]" 1
244 1 34 PRO HB3 1 87 ASN H . . 4.260 3.528 3.327 3.675 . 0 0 "[ . 1 . 2]" 1
245 1 34 PRO HB3 1 87 ASN HD21 . . 4.330 2.595 2.002 4.127 . 0 0 "[ . 1 . 2]" 1
246 1 34 PRO HD2 1 86 PRO HB2 . . 6.000 5.703 4.868 6.164 0.164 7 0 "[ . 1 . 2]" 1
247 1 35 HIS HA 1 36 TRP H . . 5.100 2.191 2.185 2.218 . 0 0 "[ . 1 . 2]" 1
248 1 36 TRP HB3 1 60 PHE H . . 5.210 4.826 4.522 5.197 . 0 0 "[ . 1 . 2]" 1
249 1 36 TRP HE1 1 62 THR H . . 4.680 4.456 4.070 4.738 0.058 4 0 "[ . 1 . 2]" 1
250 1 36 TRP HE1 1 62 THR MG . . 4.680 3.980 3.292 4.641 . 0 0 "[ . 1 . 2]" 1
251 1 36 TRP HE1 1 92 PHE H . . 4.170 4.117 3.771 4.228 0.058 10 0 "[ . 1 . 2]" 1
252 1 36 TRP HE1 1 92 PHE HA . . 5.060 2.889 2.079 3.293 . 0 0 "[ . 1 . 2]" 1
253 1 36 TRP HE1 1 92 PHE HB2 . . 4.820 4.428 4.093 4.686 . 0 0 "[ . 1 . 2]" 1
254 1 36 TRP HE1 1 95 GLY H . . 4.900 4.338 3.863 4.927 0.027 19 0 "[ . 1 . 2]" 1
255 1 36 TRP HE1 1 95 GLY HA3 . . 5.090 3.306 2.891 3.858 . 0 0 "[ . 1 . 2]" 1
256 1 36 TRP HZ2 1 91 GLY H . . 7.000 3.423 3.071 3.738 . 0 0 "[ . 1 . 2]" 1
257 1 36 TRP HZ2 1 92 PHE H . . 4.690 2.458 2.342 2.703 . 0 0 "[ . 1 . 2]" 1
258 1 36 TRP HZ2 1 93 SER H . . 5.500 4.684 4.601 4.846 . 0 0 "[ . 1 . 2]" 1
259 1 37 PRO HA 1 38 ALA H . . 4.800 2.179 2.157 2.195 . 0 0 "[ . 1 . 2]" 1
260 1 37 PRO HA 1 38 ALA MB . . 5.070 3.993 3.937 4.041 . 0 0 "[ . 1 . 2]" 1
261 1 37 PRO HA 1 99 ILE MD . . 5.500 5.360 5.099 5.518 0.018 19 0 "[ . 1 . 2]" 1
262 1 37 PRO HB2 1 99 ILE MD . . 5.210 3.785 3.561 4.065 . 0 0 "[ . 1 . 2]" 1
263 1 37 PRO HB3 1 96 LEU HA . . 4.860 3.543 2.825 4.069 . 0 0 "[ . 1 . 2]" 1
264 1 37 PRO HB3 1 96 LEU HB2 . . 4.000 4.018 3.370 4.128 0.128 13 0 "[ . 1 . 2]" 1
265 1 37 PRO HB3 1 96 LEU MD2 . . 5.260 3.884 3.423 5.159 . 0 0 "[ . 1 . 2]" 1
266 1 37 PRO HB3 1 99 ILE MD . . 5.040 4.064 3.764 4.361 . 0 0 "[ . 1 . 2]" 1
267 1 38 ALA HA 1 39 ARG H . . 3.000 2.348 2.257 2.452 . 0 0 "[ . 1 . 2]" 1
268 1 38 ALA HA 1 59 PHE HA . . 4.100 2.406 2.204 2.636 . 0 0 "[ . 1 . 2]" 1
269 1 38 ALA HA 1 60 PHE H . . 3.750 2.389 2.092 2.612 . 0 0 "[ . 1 . 2]" 1
270 1 38 ALA MB 1 39 ARG H . . 4.180 2.797 2.522 3.002 . 0 0 "[ . 1 . 2]" 1
271 1 38 ALA MB 1 39 ARG HA . . 5.400 4.196 4.081 4.258 . 0 0 "[ . 1 . 2]" 1
272 1 38 ALA MB 1 57 VAL HB . . 5.280 4.570 4.272 5.054 . 0 0 "[ . 1 . 2]" 1
273 1 38 ALA MB 1 57 VAL MG1 . . 3.620 2.479 1.867 3.760 0.140 19 0 "[ . 1 . 2]" 1
274 1 38 ALA MB 1 57 VAL MG2 . . 3.530 3.030 1.891 3.671 0.141 16 0 "[ . 1 . 2]" 1
275 1 38 ALA MB 1 58 PHE H . . 4.650 3.253 2.903 3.738 . 0 0 "[ . 1 . 2]" 1
276 1 38 ALA MB 1 59 PHE HA . . 4.670 1.919 1.795 2.095 . 0 0 "[ . 1 . 2]" 1
277 1 38 ALA MB 1 59 PHE QD . . 5.060 2.508 1.934 3.133 . 0 0 "[ . 1 . 2]" 1
278 1 38 ALA MB 1 60 PHE H . . 5.020 3.326 2.970 3.584 . 0 0 "[ . 1 . 2]" 1
279 1 39 ARG H 1 40 ILE H . . 5.140 4.570 4.517 4.596 . 0 0 "[ . 1 . 2]" 1
280 1 39 ARG H 1 57 VAL MG2 . . 4.890 4.819 3.871 5.533 0.643 1 1 "[+ . 1 . 2]" 1
281 1 39 ARG H 1 58 PHE H . . 4.390 3.130 2.875 3.444 . 0 0 "[ . 1 . 2]" 1
282 1 39 ARG H 1 59 PHE HA . . 3.750 3.723 3.572 3.832 0.082 16 0 "[ . 1 . 2]" 1
283 1 39 ARG HA 1 40 ILE H . . 4.080 2.404 2.289 2.488 . 0 0 "[ . 1 . 2]" 1
284 1 39 ARG HB2 1 40 ILE H . . 4.560 3.708 2.627 4.367 . 0 0 "[ . 1 . 2]" 1
285 1 40 ILE H 1 40 ILE MD . . 5.200 4.278 4.214 4.371 . 0 0 "[ . 1 . 2]" 1
286 1 40 ILE H 1 40 ILE HG13 . . 4.900 4.425 4.214 4.609 . 0 0 "[ . 1 . 2]" 1
287 1 40 ILE H 1 41 ASP H . . 4.730 4.624 4.585 4.656 . 0 0 "[ . 1 . 2]" 1
288 1 40 ILE HA 1 41 ASP H . . 3.000 2.298 2.263 2.329 . 0 0 "[ . 1 . 2]" 1
289 1 40 ILE HA 1 57 VAL HA . . 3.000 3.018 2.827 3.259 0.259 11 0 "[ . 1 . 2]" 1
290 1 40 ILE HA 1 58 PHE H . . 3.750 3.836 3.696 3.981 0.231 14 0 "[ . 1 . 2]" 1
291 1 40 ILE MD 1 41 ASP H . . 4.770 1.870 1.728 1.939 . 0 0 "[ . 1 . 2]" 1
292 1 40 ILE MD 1 42 GLU H . . 4.460 4.452 4.200 4.505 0.045 7 0 "[ . 1 . 2]" 1
293 1 40 ILE MD 1 56 GLN H . . 4.710 3.775 3.236 4.212 . 0 0 "[ . 1 . 2]" 1
294 1 40 ILE MG 1 41 ASP H . . 4.610 3.034 2.937 3.193 . 0 0 "[ . 1 . 2]" 1
295 1 40 ILE MG 1 42 GLU H . . 4.620 4.629 4.473 4.699 0.079 20 0 "[ . 1 . 2]" 1
296 1 41 ASP H 1 42 GLU H . . 4.250 4.315 4.270 4.361 0.111 2 0 "[ . 1 . 2]" 1
297 1 41 ASP H 1 56 GLN H . . 4.600 3.945 3.549 4.138 . 0 0 "[ . 1 . 2]" 1
298 1 41 ASP H 1 56 GLN QB . . 5.350 3.625 3.159 4.051 . 0 0 "[ . 1 . 2]" 1
299 1 41 ASP H 1 56 GLN HE21 . . 5.500 5.345 4.883 5.525 0.025 7 0 "[ . 1 . 2]" 1
300 1 41 ASP H 1 57 VAL HA . . 4.000 3.252 3.061 3.529 . 0 0 "[ . 1 . 2]" 1
301 1 41 ASP H 1 57 VAL MG2 . . 5.060 3.831 3.232 4.999 . 0 0 "[ . 1 . 2]" 1
302 1 41 ASP HA 1 42 GLU H . . 4.590 2.396 2.364 2.431 . 0 0 "[ . 1 . 2]" 1
303 1 41 ASP HB2 1 42 GLU H . . 4.510 4.063 3.605 4.186 . 0 0 "[ . 1 . 2]" 1
304 1 41 ASP HB2 1 56 GLN QB . . 5.500 2.541 2.027 3.159 . 0 0 "[ . 1 . 2]" 1
305 1 41 ASP HB2 1 56 GLN HE21 . . 5.500 2.979 1.953 3.725 . 0 0 "[ . 1 . 2]" 1
306 1 41 ASP HB2 1 56 GLN HE22 . . 5.500 4.348 3.131 5.322 . 0 0 "[ . 1 . 2]" 1
307 1 41 ASP HB3 1 42 GLU H . . 4.410 2.861 2.738 2.963 . 0 0 "[ . 1 . 2]" 1
308 1 41 ASP HB3 1 56 GLN H . . 4.970 4.836 4.597 5.428 0.458 1 0 "[ . 1 . 2]" 1
309 1 41 ASP HB3 1 56 GLN HE21 . . 5.180 2.111 1.948 2.466 . 0 0 "[ . 1 . 2]" 1
310 1 41 ASP HB3 1 56 GLN HE22 . . 5.290 3.394 2.792 4.064 . 0 0 "[ . 1 . 2]" 1
311 1 42 GLU H 1 43 MET H . . 4.930 4.568 4.521 4.611 . 0 0 "[ . 1 . 2]" 1
312 1 42 GLU H 1 56 GLN H . . 4.840 4.886 4.840 4.945 0.105 20 0 "[ . 1 . 2]" 1
313 1 42 GLU H 1 56 GLN QB . . 4.040 3.584 3.379 3.947 . 0 0 "[ . 1 . 2]" 1
314 1 42 GLU H 1 56 GLN HE21 . . 5.500 4.200 3.425 5.150 . 0 0 "[ . 1 . 2]" 1
315 1 42 GLU H 1 56 GLN QG . . 5.500 5.090 4.700 5.274 . 0 0 "[ . 1 . 2]" 1
316 1 42 GLU HA 1 43 MET H . . 3.640 2.416 2.306 2.593 . 0 0 "[ . 1 . 2]" 1
317 1 42 GLU HA 1 43 MET HG2 . . 5.300 4.612 3.953 6.247 0.947 17 1 "[ . 1 . + 2]" 1
318 1 42 GLU HG2 1 43 MET H . . 4.820 3.203 2.034 4.885 0.065 20 0 "[ . 1 . 2]" 1
319 1 42 GLU HG3 1 43 MET H . . 4.910 3.695 2.232 4.847 . 0 0 "[ . 1 . 2]" 1
320 1 43 MET H 1 43 MET HG2 . . 4.090 2.548 1.907 4.313 0.223 17 0 "[ . 1 . 2]" 1
321 1 43 MET H 1 44 PRO HD3 . . 6.000 4.423 4.314 4.704 . 0 0 "[ . 1 . 2]" 1
322 1 43 MET H 1 56 GLN QB . . 3.940 3.411 3.026 3.828 . 0 0 "[ . 1 . 2]" 1
323 1 43 MET HA 1 44 PRO HA . . 5.270 4.384 4.343 4.401 . 0 0 "[ . 1 . 2]" 1
324 1 43 MET HA 1 44 PRO HD2 . . 4.720 2.323 2.251 2.601 . 0 0 "[ . 1 . 2]" 1
325 1 43 MET HA 1 44 PRO HD3 . . 4.720 1.981 1.929 2.015 . 0 0 "[ . 1 . 2]" 1
326 1 43 MET HA 1 44 PRO HG3 . . 5.430 4.228 4.200 4.247 . 0 0 "[ . 1 . 2]" 1
327 1 43 MET HA 1 56 GLN HE21 . . 5.500 4.319 2.895 5.360 . 0 0 "[ . 1 . 2]" 1
328 1 43 MET HB2 1 54 LYS QE . . 4.880 3.849 2.309 4.495 . 0 0 "[ . 1 . 2]" 1
329 1 43 MET HB3 1 54 LYS QE . . 4.780 3.352 1.947 4.423 . 0 0 "[ . 1 . 2]" 1
330 1 43 MET HG2 1 44 PRO HD3 . . 5.320 5.146 4.275 6.013 0.693 13 3 "[ . 1 -+ . *2]" 1
331 1 44 PRO HA 1 45 GLU H . . 3.660 2.446 2.174 2.530 . 0 0 "[ . 1 . 2]" 1
332 1 44 PRO HA 1 45 GLU HA . . 5.000 4.331 4.192 4.401 . 0 0 "[ . 1 . 2]" 1
333 1 44 PRO HA 1 45 GLU HB3 . . 4.800 4.356 4.206 4.525 . 0 0 "[ . 1 . 2]" 1
334 1 44 PRO HG2 1 45 GLU H . . 5.500 4.708 4.534 5.289 . 0 0 "[ . 1 . 2]" 1
335 1 44 PRO HG3 1 56 GLN HE21 . . 4.790 4.697 3.599 4.835 0.045 15 0 "[ . 1 . 2]" 1
336 1 44 PRO HG3 1 56 GLN HE22 . . 4.770 3.594 3.086 4.772 0.002 19 0 "[ . 1 . 2]" 1
337 1 45 GLU H 1 45 GLU HB3 . . 4.230 3.259 2.693 3.532 . 0 0 "[ . 1 . 2]" 1
338 1 45 GLU H 1 45 GLU HG2 . . 4.480 2.246 1.949 2.750 . 0 0 "[ . 1 . 2]" 1
339 1 45 GLU H 1 46 ALA H . . 4.420 2.434 1.896 3.347 . 0 0 "[ . 1 . 2]" 1
340 1 45 GLU H 1 46 ALA MB . . 5.000 3.391 3.123 4.032 . 0 0 "[ . 1 . 2]" 1
341 1 45 GLU H 1 47 ALA H . . 6.000 4.831 4.054 5.681 . 0 0 "[ . 1 . 2]" 1
342 1 45 GLU H 1 48 VAL QG . . 6.000 5.515 4.237 5.798 . 0 0 "[ . 1 . 2]" 1
343 1 45 GLU HA 1 46 ALA H . . 3.220 2.920 2.751 3.068 . 0 0 "[ . 1 . 2]" 1
344 1 45 GLU HA 1 46 ALA MB . . 4.620 4.594 4.505 4.649 0.029 14 0 "[ . 1 . 2]" 1
345 1 45 GLU HA 1 49 LYS HB3 . . 5.500 5.341 3.604 6.066 0.566 17 1 "[ . 1 . + 2]" 1
346 1 45 GLU HA 1 49 LYS HG3 . . 5.500 4.835 3.757 6.471 0.971 17 4 "[ . 1 *.*+ -2]" 1
347 1 45 GLU HB2 1 46 ALA MB . . 6.000 5.373 5.188 5.677 . 0 0 "[ . 1 . 2]" 1
348 1 45 GLU HB3 1 46 ALA H . . 4.990 4.684 4.605 4.729 . 0 0 "[ . 1 . 2]" 1
349 1 45 GLU HG2 1 46 ALA H . . 4.630 4.259 3.911 4.642 0.012 17 0 "[ . 1 . 2]" 1
350 1 45 GLU HG3 1 46 ALA H . . 4.310 4.240 3.696 4.635 0.325 9 0 "[ . 1 . 2]" 1
351 1 45 GLU HG3 1 46 ALA MB . . 4.740 4.306 3.832 5.067 0.327 18 0 "[ . 1 . 2]" 1
352 1 46 ALA H 1 46 ALA MB . . 3.210 2.241 2.010 2.432 . 0 0 "[ . 1 . 2]" 1
353 1 46 ALA H 1 47 ALA H . . 4.390 2.480 2.019 3.222 . 0 0 "[ . 1 . 2]" 1
354 1 46 ALA H 1 48 VAL H . . 5.410 3.319 2.754 3.999 . 0 0 "[ . 1 . 2]" 1
355 1 46 ALA H 1 48 VAL QG . . 5.290 4.396 3.101 5.030 . 0 0 "[ . 1 . 2]" 1
356 1 47 ALA H 1 47 ALA MB . . 3.260 2.056 1.935 2.169 . 0 0 "[ . 1 . 2]" 1
357 1 47 ALA H 1 48 VAL H . . 4.020 2.710 2.306 3.008 . 0 0 "[ . 1 . 2]" 1
358 1 47 ALA H 1 48 VAL QG . . 4.750 3.953 3.363 4.270 . 0 0 "[ . 1 . 2]" 1
359 1 47 ALA HA 1 48 VAL H . . 3.520 3.593 3.156 3.641 0.121 13 0 "[ . 1 . 2]" 1
360 1 47 ALA HA 1 48 VAL QG . . 4.860 3.892 3.637 4.683 . 0 0 "[ . 1 . 2]" 1
361 1 47 ALA MB 1 48 VAL H . . 3.780 2.592 2.250 3.556 . 0 0 "[ . 1 . 2]" 1
362 1 47 ALA MB 1 48 VAL QG . . 4.190 2.533 2.299 3.951 . 0 0 "[ . 1 . 2]" 1
363 1 48 VAL H 1 48 VAL HB . . 4.380 3.733 3.122 3.865 . 0 0 "[ . 1 . 2]" 1
364 1 48 VAL H 1 48 VAL QG . . 3.340 2.207 2.076 2.345 . 0 0 "[ . 1 . 2]" 1
365 1 48 VAL H 1 49 LYS H . . 4.340 4.395 4.382 4.412 0.072 16 0 "[ . 1 . 2]" 1
366 1 48 VAL HA 1 49 LYS H . . 3.640 2.589 2.322 2.632 . 0 0 "[ . 1 . 2]" 1
367 1 48 VAL HB 1 49 LYS H . . 4.420 2.493 2.184 3.829 . 0 0 "[ . 1 . 2]" 1
368 1 48 VAL HB 1 49 LYS HA . . 5.000 4.822 4.578 5.815 0.815 20 3 "[ . 1 * . - +]" 1
369 1 48 VAL QG 1 49 LYS H . . 4.070 2.866 1.758 3.375 . 0 0 "[ . 1 . 2]" 1
370 1 48 VAL QG 1 49 LYS HA . . 4.980 3.922 3.461 4.300 . 0 0 "[ . 1 . 2]" 1
371 1 48 VAL QG 1 49 LYS HB2 . . 5.400 4.669 3.602 5.561 0.161 19 0 "[ . 1 . 2]" 1
372 1 48 VAL QG 1 49 LYS HE3 . . 5.100 4.140 3.349 5.710 0.610 4 1 "[ +. 1 . 2]" 1
373 1 48 VAL QG 1 49 LYS HG3 . . 5.030 4.625 3.987 5.806 0.776 19 1 "[ . 1 . +2]" 1
374 1 48 VAL QG 1 50 SER H . . 5.010 3.979 2.564 4.929 . 0 0 "[ . 1 . 2]" 1
375 1 48 VAL QG 1 50 SER HA . . 4.610 4.035 3.382 4.537 . 0 0 "[ . 1 . 2]" 1
376 1 48 VAL QG 1 50 SER QB . . 5.250 4.015 2.484 4.898 . 0 0 "[ . 1 . 2]" 1
377 1 49 LYS H 1 49 LYS HB2 . . 4.040 2.717 2.448 3.658 . 0 0 "[ . 1 . 2]" 1
378 1 49 LYS H 1 49 LYS HB3 . . 3.910 3.452 2.388 3.704 . 0 0 "[ . 1 . 2]" 1
379 1 49 LYS H 1 49 LYS HD2 . . 3.550 3.549 2.999 4.341 0.791 14 2 "[ . 1 +.- 2]" 1
380 1 49 LYS H 1 49 LYS HG3 . . 4.220 3.120 2.366 3.921 . 0 0 "[ . 1 . 2]" 1
381 1 49 LYS HA 1 50 SER H . . 4.490 2.392 2.177 3.617 . 0 0 "[ . 1 . 2]" 1
382 1 49 LYS HA 1 50 SER QB . . 4.520 4.167 3.955 4.429 . 0 0 "[ . 1 . 2]" 1
383 1 49 LYS HB2 1 50 SER H . . 5.210 4.045 2.161 4.609 . 0 0 "[ . 1 . 2]" 1
384 1 49 LYS HB3 1 50 SER H . . 5.060 3.634 2.136 4.643 . 0 0 "[ . 1 . 2]" 1
385 1 49 LYS HG3 1 50 SER H . . 5.400 4.352 1.946 5.338 . 0 0 "[ . 1 . 2]" 1
386 1 50 SER HA 1 51 THR H . . 4.730 2.597 2.245 3.648 . 0 0 "[ . 1 . 2]" 1
387 1 50 SER QB 1 51 THR H . . 5.410 2.785 2.086 4.121 . 0 0 "[ . 1 . 2]" 1
388 1 51 THR H 1 52 ALA H . . 4.500 4.453 4.346 4.518 0.018 19 0 "[ . 1 . 2]" 1
389 1 51 THR H 1 52 ALA MB . . 5.500 5.465 5.207 5.535 0.035 15 0 "[ . 1 . 2]" 1
390 1 51 THR HA 1 51 THR MG . . 3.750 2.412 2.187 2.613 . 0 0 "[ . 1 . 2]" 1
391 1 51 THR HA 1 52 ALA H . . 4.010 2.438 2.152 2.737 . 0 0 "[ . 1 . 2]" 1
392 1 51 THR HB 1 52 ALA H . . 3.530 2.957 2.079 3.589 0.059 19 0 "[ . 1 . 2]" 1
393 1 51 THR MG 1 52 ALA H . . 4.850 3.528 1.805 4.358 . 0 0 "[ . 1 . 2]" 1
394 1 52 ALA H 1 52 ALA MB . . 3.390 2.204 1.940 2.312 . 0 0 "[ . 1 . 2]" 1
395 1 52 ALA H 1 53 ASN H . . 4.750 4.516 4.408 4.633 . 0 0 "[ . 1 . 2]" 1
396 1 52 ALA HA 1 53 ASN H . . 3.910 2.373 2.190 2.658 . 0 0 "[ . 1 . 2]" 1
397 1 52 ALA HA 1 54 LYS H . . 4.850 3.886 3.491 4.752 . 0 0 "[ . 1 . 2]" 1
398 1 52 ALA MB 1 53 ASN H . . 4.310 2.873 2.355 3.300 . 0 0 "[ . 1 . 2]" 1
399 1 52 ALA MB 1 53 ASN HD21 . . 5.180 3.824 1.987 4.762 . 0 0 "[ . 1 . 2]" 1
400 1 52 ALA MB 1 53 ASN HD22 . . 4.780 4.100 2.361 5.182 0.402 20 0 "[ . 1 . 2]" 1
401 1 53 ASN H 1 53 ASN HD22 . . 5.330 4.383 2.934 5.345 0.015 6 0 "[ . 1 . 2]" 1
402 1 53 ASN H 1 54 LYS H . . 4.370 2.529 1.881 3.453 . 0 0 "[ . 1 . 2]" 1
403 1 53 ASN HA 1 53 ASN HD22 . . 4.950 4.996 4.505 5.204 0.254 6 0 "[ . 1 . 2]" 1
404 1 53 ASN HA 1 54 LYS H . . 3.530 3.101 2.404 3.620 0.090 9 0 "[ . 1 . 2]" 1
405 1 53 ASN HB2 1 53 ASN HD22 . . 4.170 3.847 3.444 4.121 . 0 0 "[ . 1 . 2]" 1
406 1 53 ASN HB2 1 54 LYS H . . 4.490 3.921 2.508 4.478 . 0 0 "[ . 1 . 2]" 1
407 1 53 ASN HD21 1 54 LYS HB3 . . 5.500 5.408 2.308 6.082 0.582 15 2 "[ .- 1 + 2]" 1
408 1 54 LYS H 1 54 LYS HB3 . . 4.100 3.175 2.532 3.626 . 0 0 "[ . 1 . 2]" 1
409 1 54 LYS H 1 54 LYS HG2 . . 4.790 3.377 2.119 4.329 . 0 0 "[ . 1 . 2]" 1
410 1 54 LYS H 1 54 LYS HG3 . . 4.270 3.110 1.938 4.791 0.521 6 1 "[ .+ 1 . 2]" 1
411 1 54 LYS H 1 55 TYR H . . 4.990 4.328 3.951 4.594 . 0 0 "[ . 1 . 2]" 1
412 1 54 LYS HA 1 55 TYR H . . 4.280 2.434 2.177 2.643 . 0 0 "[ . 1 . 2]" 1
413 1 54 LYS HA 1 55 TYR HB2 . . 5.300 4.037 3.805 5.064 . 0 0 "[ . 1 . 2]" 1
414 1 54 LYS HB2 1 55 TYR H . . 4.530 2.820 2.173 4.626 0.096 15 0 "[ . 1 . 2]" 1
415 1 54 LYS QE 1 67 PHE HB2 . . 4.920 3.708 2.613 5.146 0.226 1 0 "[ . 1 . 2]" 1
416 1 54 LYS HG3 1 55 TYR H . . 5.270 3.942 2.752 5.209 . 0 0 "[ . 1 . 2]" 1
417 1 55 TYR H 1 55 TYR QD . . 5.010 3.878 3.351 4.239 . 0 0 "[ . 1 . 2]" 1
418 1 55 TYR H 1 68 LEU H . . 4.370 3.774 3.471 4.102 . 0 0 "[ . 1 . 2]" 1
419 1 55 TYR HA 1 56 GLN H . . 3.990 2.303 2.197 2.348 . 0 0 "[ . 1 . 2]" 1
420 1 55 TYR HA 1 56 GLN HA . . 4.800 4.301 4.284 4.318 . 0 0 "[ . 1 . 2]" 1
421 1 55 TYR HB2 1 56 GLN H . . 4.990 4.281 3.686 4.539 . 0 0 "[ . 1 . 2]" 1
422 1 55 TYR QD 1 56 GLN H . . 5.490 3.098 1.935 3.718 . 0 0 "[ . 1 . 2]" 1
423 1 55 TYR QD 1 73 LEU QD . . 4.960 3.669 3.094 4.529 . 0 0 "[ . 1 . 2]" 1
424 1 55 TYR QE 1 73 LEU QD . . 5.010 4.278 1.808 4.953 . 0 0 "[ . 1 . 2]" 1
425 1 56 GLN HA 1 56 GLN HE21 . . 5.500 4.881 4.347 5.290 . 0 0 "[ . 1 . 2]" 1
426 1 56 GLN HA 1 57 VAL H . . 3.000 2.248 2.201 2.295 . 0 0 "[ . 1 . 2]" 1
427 1 56 GLN HA 1 67 PHE HA . . 3.000 2.826 2.460 3.037 0.037 2 0 "[ . 1 . 2]" 1
428 1 56 GLN HA 1 68 LEU H . . 4.470 3.361 3.058 3.858 . 0 0 "[ . 1 . 2]" 1
429 1 56 GLN HE21 1 57 VAL H . . 5.320 5.303 4.830 5.405 0.085 11 0 "[ . 1 . 2]" 1
430 1 56 GLN HE21 1 65 THR MG . . 4.650 3.567 2.344 4.258 . 0 0 "[ . 1 . 2]" 1
431 1 56 GLN HE22 1 65 THR MG . . 4.720 3.540 2.305 4.743 0.023 7 0 "[ . 1 . 2]" 1
432 1 56 GLN QG 1 57 VAL H . . 4.700 2.844 2.271 3.733 . 0 0 "[ . 1 . 2]" 1
433 1 56 GLN QG 1 65 THR MG . . 4.520 2.485 1.766 3.655 . 0 0 "[ . 1 . 2]" 1
434 1 57 VAL H 1 57 VAL MG1 . . 4.610 3.165 2.001 3.686 . 0 0 "[ . 1 . 2]" 1
435 1 57 VAL H 1 65 THR MG . . 5.270 3.395 2.841 4.299 . 0 0 "[ . 1 . 2]" 1
436 1 57 VAL H 1 66 ALA H . . 3.750 3.266 2.791 3.748 . 0 0 "[ . 1 . 2]" 1
437 1 57 VAL H 1 67 PHE HA . . 4.450 3.208 2.631 3.635 . 0 0 "[ . 1 . 2]" 1
438 1 57 VAL H 1 68 LEU H . . 5.440 3.412 2.886 3.941 . 0 0 "[ . 1 . 2]" 1
439 1 57 VAL H 1 68 LEU HB2 . . 4.960 4.371 3.847 4.851 . 0 0 "[ . 1 . 2]" 1
440 1 57 VAL HA 1 58 PHE H . . 3.000 2.246 2.183 2.326 . 0 0 "[ . 1 . 2]" 1
441 1 57 VAL HB 1 66 ALA H . . 5.080 4.153 3.531 5.010 . 0 0 "[ . 1 . 2]" 1
442 1 57 VAL HB 1 67 PHE H . . 5.500 5.522 5.418 5.600 0.100 15 0 "[ . 1 . 2]" 1
443 1 57 VAL MG1 1 66 ALA H . . 5.500 2.934 1.994 3.736 . 0 0 "[ . 1 . 2]" 1
444 1 57 VAL MG1 1 68 LEU H . . 4.900 4.207 2.279 5.139 0.239 16 0 "[ . 1 . 2]" 1
445 1 57 VAL MG1 1 68 LEU MD1 . . 3.960 2.276 1.763 2.943 . 0 0 "[ . 1 . 2]" 1
446 1 57 VAL MG2 1 58 PHE H . . 4.610 3.220 2.202 3.868 . 0 0 "[ . 1 . 2]" 1
447 1 57 VAL MG2 1 66 ALA MB . . 5.340 4.711 3.545 5.284 . 0 0 "[ . 1 . 2]" 1
448 1 57 VAL MG2 1 68 LEU MD1 . . 4.520 2.884 2.143 3.504 . 0 0 "[ . 1 . 2]" 1
449 1 57 VAL MG2 1 68 LEU MD2 . . 5.240 4.346 2.668 4.875 . 0 0 "[ . 1 . 2]" 1
450 1 57 VAL MG2 1 68 LEU HG . . 4.900 4.210 3.787 4.763 . 0 0 "[ . 1 . 2]" 1
451 1 58 PHE HA 1 59 PHE H . . 3.000 2.220 2.196 2.252 . 0 0 "[ . 1 . 2]" 1
452 1 58 PHE HA 1 65 THR HA . . 3.000 2.148 1.929 2.491 . 0 0 "[ . 1 . 2]" 1
453 1 58 PHE HA 1 65 THR HB . . 4.640 4.510 2.994 4.732 0.092 1 0 "[ . 1 . 2]" 1
454 1 58 PHE HA 1 65 THR MG . . 4.120 3.556 2.703 4.200 0.080 16 0 "[ . 1 . 2]" 1
455 1 58 PHE HA 1 66 ALA H . . 3.750 3.446 2.855 3.790 0.040 7 0 "[ . 1 . 2]" 1
456 1 58 PHE HB2 1 59 PHE H . . 5.020 4.678 4.327 4.726 . 0 0 "[ . 1 . 2]" 1
457 1 58 PHE QE 1 65 THR H . . 6.000 4.081 2.790 5.677 . 0 0 "[ . 1 . 2]" 1
458 1 58 PHE QE 1 66 ALA H . . 6.000 6.006 5.854 6.127 0.127 16 0 "[ . 1 . 2]" 1
459 1 59 PHE H 1 59 PHE QD . . 4.540 2.465 1.973 2.844 . 0 0 "[ . 1 . 2]" 1
460 1 59 PHE H 1 64 GLU H . . 4.070 3.413 3.122 3.786 . 0 0 "[ . 1 . 2]" 1
461 1 59 PHE H 1 65 THR HA . . 3.750 2.888 2.448 3.132 . 0 0 "[ . 1 . 2]" 1
462 1 59 PHE H 1 65 THR MG . . 5.050 4.912 4.354 5.248 0.198 16 0 "[ . 1 . 2]" 1
463 1 59 PHE H 1 66 ALA H . . 5.500 3.955 3.150 4.883 . 0 0 "[ . 1 . 2]" 1
464 1 59 PHE HA 1 60 PHE H . . 3.000 2.199 2.193 2.213 . 0 0 "[ . 1 . 2]" 1
465 1 59 PHE HB2 1 63 HIS H . . 5.140 3.750 2.976 4.348 . 0 0 "[ . 1 . 2]" 1
466 1 59 PHE HB2 1 64 GLU H . . 4.440 2.628 2.090 3.220 . 0 0 "[ . 1 . 2]" 1
467 1 59 PHE QD 1 63 HIS H . . 4.690 4.847 4.754 5.015 0.325 16 0 "[ . 1 . 2]" 1
468 1 59 PHE QD 1 66 ALA H . . 5.060 3.923 2.976 4.893 . 0 0 "[ . 1 . 2]" 1
469 1 59 PHE QE 1 66 ALA H . . 6.000 4.618 3.046 5.735 . 0 0 "[ . 1 . 2]" 1
470 1 59 PHE QE 1 68 LEU MD1 . . 4.450 2.171 1.770 3.277 . 0 0 "[ . 1 . 2]" 1
471 1 59 PHE QE 1 68 LEU MD2 . . 5.270 4.090 2.393 4.823 . 0 0 "[ . 1 . 2]" 1
472 1 59 PHE HZ 1 68 LEU MD1 . . 4.330 2.679 2.084 3.725 . 0 0 "[ . 1 . 2]" 1
473 1 59 PHE HZ 1 68 LEU MD2 . . 5.180 4.225 2.425 5.136 . 0 0 "[ . 1 . 2]" 1
474 1 60 PHE HA 1 61 GLY H . . 4.470 3.604 3.411 3.644 . 0 0 "[ . 1 . 2]" 1
475 1 60 PHE QD 1 99 ILE HB . . 4.500 2.577 2.035 3.050 . 0 0 "[ . 1 . 2]" 1
476 1 60 PHE QD 1 99 ILE QG . . 4.500 3.155 2.471 3.683 . 0 0 "[ . 1 . 2]" 1
477 1 60 PHE QE 1 99 ILE HB . . 4.500 3.336 2.814 3.769 . 0 0 "[ . 1 . 2]" 1
478 1 60 PHE QE 1 99 ILE QG . . 4.500 2.840 2.334 3.430 . 0 0 "[ . 1 . 2]" 1
479 1 61 GLY H 1 62 THR H . . 5.150 3.024 2.649 3.152 . 0 0 "[ . 1 . 2]" 1
480 1 61 GLY H 1 95 GLY HA3 . . 4.670 3.890 3.482 4.413 . 0 0 "[ . 1 . 2]" 1
481 1 61 GLY HA2 1 62 THR H . . 4.800 3.642 3.602 3.646 . 0 0 "[ . 1 . 2]" 1
482 1 61 GLY HA2 1 95 GLY H . . 5.110 3.954 3.570 4.398 . 0 0 "[ . 1 . 2]" 1
483 1 61 GLY HA3 1 62 THR H . . 4.470 2.715 2.681 2.941 . 0 0 "[ . 1 . 2]" 1
484 1 61 GLY HA3 1 95 GLY H . . 5.010 4.926 4.694 5.135 0.125 8 0 "[ . 1 . 2]" 1
485 1 62 THR H 1 62 THR MG . . 4.080 2.349 1.947 3.071 . 0 0 "[ . 1 . 2]" 1
486 1 62 THR H 1 63 HIS HA . . 5.140 4.502 4.208 4.589 . 0 0 "[ . 1 . 2]" 1
487 1 62 THR H 1 64 GLU H . . 5.140 3.938 3.649 4.107 . 0 0 "[ . 1 . 2]" 1
488 1 62 THR HA 1 63 HIS H . . 4.850 3.518 3.435 3.550 . 0 0 "[ . 1 . 2]" 1
489 1 62 THR HA 1 64 GLU H . . 4.840 4.888 4.842 4.924 0.084 5 0 "[ . 1 . 2]" 1
490 1 62 THR HA 1 64 GLU HG3 . . 5.180 5.038 4.447 5.992 0.812 1 3 "[+ . 1 - . * 2]" 1
491 1 62 THR HB 1 63 HIS H . . 5.250 4.048 3.678 4.328 . 0 0 "[ . 1 . 2]" 1
492 1 62 THR HB 1 64 GLU H . . 5.010 4.032 3.484 4.509 . 0 0 "[ . 1 . 2]" 1
493 1 62 THR HB 1 64 GLU HG3 . . 4.770 3.282 2.537 3.914 . 0 0 "[ . 1 . 2]" 1
494 1 62 THR MG 1 63 HIS H . . 4.970 3.958 3.689 4.278 . 0 0 "[ . 1 . 2]" 1
495 1 62 THR MG 1 64 GLU H . . 5.310 4.505 4.228 4.754 . 0 0 "[ . 1 . 2]" 1
496 1 62 THR MG 1 91 GLY HA3 . . 4.700 4.590 4.153 4.760 0.060 15 0 "[ . 1 . 2]" 1
497 1 63 HIS H 1 64 GLU H . . 4.240 2.483 2.460 2.573 . 0 0 "[ . 1 . 2]" 1
498 1 63 HIS H 1 64 GLU HA . . 5.500 5.063 5.037 5.131 . 0 0 "[ . 1 . 2]" 1
499 1 63 HIS H 1 64 GLU HB2 . . 5.460 4.903 4.445 6.167 0.707 12 4 "[- . * 1 + . * 2]" 1
500 1 63 HIS H 1 64 GLU HG2 . . 5.400 4.952 3.966 5.308 . 0 0 "[ . 1 . 2]" 1
501 1 63 HIS HA 1 64 GLU H . . 4.500 2.850 2.824 2.876 . 0 0 "[ . 1 . 2]" 1
502 1 64 GLU H 1 64 GLU HG2 . . 4.270 3.429 2.558 3.715 . 0 0 "[ . 1 . 2]" 1
503 1 64 GLU H 1 65 THR H . . 5.040 4.445 4.415 4.487 . 0 0 "[ . 1 . 2]" 1
504 1 64 GLU HA 1 64 GLU HG2 . . 4.200 2.611 2.136 4.201 0.001 8 0 "[ . 1 . 2]" 1
505 1 64 GLU HA 1 65 THR H . . 3.580 2.465 2.322 2.677 . 0 0 "[ . 1 . 2]" 1
506 1 64 GLU HB2 1 65 THR H . . 4.690 3.592 2.514 4.126 . 0 0 "[ . 1 . 2]" 1
507 1 64 GLU HB3 1 65 THR H . . 4.240 2.834 2.101 3.959 . 0 0 "[ . 1 . 2]" 1
508 1 64 GLU HG2 1 65 THR H . . 4.600 4.356 3.973 4.964 0.364 12 0 "[ . 1 . 2]" 1
509 1 65 THR H 1 65 THR MG . . 4.750 3.519 2.321 3.856 . 0 0 "[ . 1 . 2]" 1
510 1 65 THR H 1 66 ALA H . . 5.050 4.465 4.370 4.590 . 0 0 "[ . 1 . 2]" 1
511 1 65 THR HA 1 66 ALA H . . 3.670 2.246 2.149 2.444 . 0 0 "[ . 1 . 2]" 1
512 1 65 THR HA 1 66 ALA MB . . 5.200 3.845 3.639 3.985 . 0 0 "[ . 1 . 2]" 1
513 1 65 THR HB 1 66 ALA H . . 4.590 4.315 3.839 4.629 0.039 18 0 "[ . 1 . 2]" 1
514 1 65 THR MG 1 66 ALA H . . 4.220 2.647 1.956 3.488 . 0 0 "[ . 1 . 2]" 1
515 1 65 THR MG 1 66 ALA HA . . 5.150 3.447 2.954 3.827 . 0 0 "[ . 1 . 2]" 1
516 1 65 THR MG 1 67 PHE H . . 5.160 4.782 4.194 5.131 . 0 0 "[ . 1 . 2]" 1
517 1 66 ALA H 1 67 PHE H . . 5.300 4.407 4.294 4.513 . 0 0 "[ . 1 . 2]" 1
518 1 66 ALA HA 1 67 PHE H . . 3.000 2.446 2.230 2.668 . 0 0 "[ . 1 . 2]" 1
519 1 66 ALA MB 1 67 PHE H . . 3.680 2.595 2.087 3.053 . 0 0 "[ . 1 . 2]" 1
520 1 67 PHE H 1 67 PHE QD . . 5.010 2.252 1.923 3.053 . 0 0 "[ . 1 . 2]" 1
521 1 67 PHE H 1 68 LEU H . . 5.140 4.383 4.069 4.564 . 0 0 "[ . 1 . 2]" 1
522 1 67 PHE H 1 68 LEU HG . . 5.220 4.249 3.642 5.220 0.000 2 0 "[ . 1 . 2]" 1
523 1 67 PHE HA 1 68 LEU H . . 3.000 2.207 2.194 2.237 . 0 0 "[ . 1 . 2]" 1
524 1 67 PHE HB3 1 68 LEU H . . 4.970 4.384 3.813 4.587 . 0 0 "[ . 1 . 2]" 1
525 1 68 LEU H 1 68 LEU MD1 . . 5.410 4.110 2.600 4.496 . 0 0 "[ . 1 . 2]" 1
526 1 68 LEU H 1 68 LEU MD2 . . 5.190 4.110 3.870 4.790 . 0 0 "[ . 1 . 2]" 1
527 1 68 LEU H 1 68 LEU HG . . 4.690 3.544 3.179 4.275 . 0 0 "[ . 1 . 2]" 1
528 1 68 LEU H 1 69 GLY H . . 5.500 4.394 4.365 4.429 . 0 0 "[ . 1 . 2]" 1
529 1 68 LEU HA 1 69 GLY H . . 3.820 2.624 2.565 2.656 . 0 0 "[ . 1 . 2]" 1
530 1 68 LEU HB2 1 69 GLY H . . 4.540 3.497 3.239 3.679 . 0 0 "[ . 1 . 2]" 1
531 1 68 LEU HB3 1 69 GLY H . . 4.570 2.177 2.114 2.293 . 0 0 "[ . 1 . 2]" 1
532 1 68 LEU MD1 1 69 GLY H . . 5.260 4.238 3.994 4.706 . 0 0 "[ . 1 . 2]" 1
533 1 68 LEU MD1 1 72 ASP HB2 . . 5.500 3.478 2.631 4.835 . 0 0 "[ . 1 . 2]" 1
534 1 68 LEU MD1 1 72 ASP HB3 . . 5.500 2.476 1.815 4.358 . 0 0 "[ . 1 . 2]" 1
535 1 68 LEU MD2 1 69 GLY H . . 4.320 3.175 2.584 3.949 . 0 0 "[ . 1 . 2]" 1
536 1 68 LEU MD2 1 72 ASP HB2 . . 4.600 3.000 2.354 3.627 . 0 0 "[ . 1 . 2]" 1
537 1 68 LEU MD2 1 72 ASP HB3 . . 4.890 2.754 1.785 3.450 . 0 0 "[ . 1 . 2]" 1
538 1 69 GLY H 1 72 ASP H . . 5.490 3.031 2.818 3.195 . 0 0 "[ . 1 . 2]" 1
539 1 69 GLY H 1 72 ASP HB2 . . 4.820 2.024 1.860 2.624 . 0 0 "[ . 1 . 2]" 1
540 1 69 GLY H 1 72 ASP HB3 . . 5.420 3.559 3.254 4.184 . 0 0 "[ . 1 . 2]" 1
541 1 69 GLY H 1 73 LEU H . . 5.460 4.618 4.280 5.042 . 0 0 "[ . 1 . 2]" 1
542 1 69 GLY H 1 73 LEU HB2 . . 5.060 5.092 4.764 5.200 0.140 11 0 "[ . 1 . 2]" 1
543 1 69 GLY HA2 1 70 PRO HG3 . . 4.910 4.761 4.642 4.832 . 0 0 "[ . 1 . 2]" 1
544 1 69 GLY HA2 1 71 LYS H . . 5.500 4.633 4.300 4.936 . 0 0 "[ . 1 . 2]" 1
545 1 69 GLY HA3 1 71 LYS H . . 5.320 3.425 3.119 3.729 . 0 0 "[ . 1 . 2]" 1
546 1 70 PRO HA 1 71 LYS H . . 3.850 3.468 3.390 3.521 . 0 0 "[ . 1 . 2]" 1
547 1 70 PRO HA 1 73 LEU H . . 4.570 3.214 2.993 3.334 . 0 0 "[ . 1 . 2]" 1
548 1 70 PRO HA 1 73 LEU QD . . 4.590 3.597 3.289 3.786 . 0 0 "[ . 1 . 2]" 1
549 1 70 PRO HB2 1 71 LYS H . . 4.800 3.395 3.100 3.708 . 0 0 "[ . 1 . 2]" 1
550 1 70 PRO HB3 1 73 LEU H . . 5.340 5.342 5.150 5.441 0.101 13 0 "[ . 1 . 2]" 1
551 1 70 PRO HB3 1 73 LEU QD . . 5.230 4.953 4.611 5.099 . 0 0 "[ . 1 . 2]" 1
552 1 70 PRO HD2 1 71 LYS H . . 4.160 2.283 2.253 2.372 . 0 0 "[ . 1 . 2]" 1
553 1 71 LYS H 1 71 LYS QG . . 5.070 2.824 1.830 3.964 . 0 0 "[ . 1 . 2]" 1
554 1 71 LYS H 1 72 ASP H . . 3.940 2.607 2.456 2.848 . 0 0 "[ . 1 . 2]" 1
555 1 71 LYS H 1 72 ASP HA . . 5.300 5.137 4.998 5.306 0.006 13 0 "[ . 1 . 2]" 1
556 1 71 LYS H 1 72 ASP HB2 . . 4.810 4.490 4.296 4.684 . 0 0 "[ . 1 . 2]" 1
557 1 71 LYS H 1 73 LEU H . . 4.920 3.765 3.604 3.931 . 0 0 "[ . 1 . 2]" 1
558 1 71 LYS HA 1 73 LEU H . . 4.600 3.673 3.531 3.956 . 0 0 "[ . 1 . 2]" 1
559 1 71 LYS HB3 1 72 ASP H . . 4.660 3.567 2.450 4.271 . 0 0 "[ . 1 . 2]" 1
560 1 71 LYS HB3 1 73 LEU H . . 5.000 5.111 4.692 5.418 0.418 10 0 "[ . 1 . 2]" 1
561 1 71 LYS QG 1 73 LEU H . . 5.000 4.526 3.955 4.953 . 0 0 "[ . 1 . 2]" 1
562 1 72 ASP H 1 73 LEU H . . 3.910 2.509 2.262 2.759 . 0 0 "[ . 1 . 2]" 1
563 1 72 ASP H 1 73 LEU QD . . 5.380 4.678 4.166 4.921 . 0 0 "[ . 1 . 2]" 1
564 1 72 ASP HA 1 73 LEU H . . 4.710 3.406 3.216 3.565 . 0 0 "[ . 1 . 2]" 1
565 1 72 ASP HB2 1 73 LEU H . . 5.460 3.417 2.884 3.849 . 0 0 "[ . 1 . 2]" 1
566 1 72 ASP HB3 1 73 LEU H . . 4.950 3.917 3.577 4.336 . 0 0 "[ . 1 . 2]" 1
567 1 72 ASP HB3 1 73 LEU QD . . 5.050 3.679 3.136 4.460 . 0 0 "[ . 1 . 2]" 1
568 1 73 LEU H 1 73 LEU QD . . 4.270 3.481 3.032 3.896 . 0 0 "[ . 1 . 2]" 1
569 1 73 LEU HA 1 73 LEU QD . . 4.190 1.881 1.797 1.921 . 0 0 "[ . 1 . 2]" 1
570 1 73 LEU HA 1 74 PHE H . . 4.740 2.220 2.176 2.294 . 0 0 "[ . 1 . 2]" 1
571 1 73 LEU HB3 1 74 PHE H . . 4.530 3.532 2.995 3.929 . 0 0 "[ . 1 . 2]" 1
572 1 73 LEU QD 1 74 PHE H . . 4.850 2.909 1.879 3.331 . 0 0 "[ . 1 . 2]" 1
573 1 74 PHE H 1 74 PHE QD . . 5.180 3.800 3.103 4.228 . 0 0 "[ . 1 . 2]" 1
574 1 75 PRO HA 1 76 TYR H . . 3.600 2.431 2.312 2.503 . 0 0 "[ . 1 . 2]" 1
575 1 75 PRO HA 1 77 GLU H . . 5.340 4.311 4.147 4.441 . 0 0 "[ . 1 . 2]" 1
576 1 75 PRO HB2 1 76 TYR H . . 4.840 2.725 2.547 3.040 . 0 0 "[ . 1 . 2]" 1
577 1 76 TYR H 1 76 TYR HB3 . . 4.100 2.013 1.917 2.071 . 0 0 "[ . 1 . 2]" 1
578 1 76 TYR H 1 76 TYR QD . . 5.390 3.852 3.706 3.955 . 0 0 "[ . 1 . 2]" 1
579 1 76 TYR H 1 77 GLU H . . 3.600 2.482 2.372 2.758 . 0 0 "[ . 1 . 2]" 1
580 1 76 TYR H 1 77 GLU HB2 . . 5.390 4.319 4.109 4.577 . 0 0 "[ . 1 . 2]" 1
581 1 76 TYR HA 1 77 GLU H . . 3.600 3.595 3.566 3.610 0.010 20 0 "[ . 1 . 2]" 1
582 1 76 TYR HA 1 79 SER H . . 4.750 3.318 3.137 3.601 . 0 0 "[ . 1 . 2]" 1
583 1 76 TYR HB3 1 77 GLU H . . 4.190 2.700 2.573 2.969 . 0 0 "[ . 1 . 2]" 1
584 1 76 TYR HB3 1 78 GLU H . . 5.250 5.260 5.185 5.312 0.062 3 0 "[ . 1 . 2]" 1
585 1 76 TYR QD 1 77 GLU H . . 4.680 2.923 2.741 3.426 . 0 0 "[ . 1 . 2]" 1
586 1 76 TYR QD 1 77 GLU HG3 . . 4.900 3.264 2.442 4.277 . 0 0 "[ . 1 . 2]" 1
587 1 76 TYR QE 1 77 GLU H . . 5.030 5.030 4.917 5.081 0.051 6 0 "[ . 1 . 2]" 1
588 1 76 TYR QE 1 80 LYS H . . 5.220 4.977 4.739 5.275 0.055 6 0 "[ . 1 . 2]" 1
589 1 77 GLU H 1 77 GLU HG3 . . 4.280 3.214 2.639 3.956 . 0 0 "[ . 1 . 2]" 1
590 1 77 GLU H 1 78 GLU H . . 4.150 2.851 2.569 2.912 . 0 0 "[ . 1 . 2]" 1
591 1 77 GLU H 1 79 SER H . . 4.750 4.140 3.937 4.254 . 0 0 "[ . 1 . 2]" 1
592 1 77 GLU H 1 80 LYS H . . 5.160 4.608 4.505 4.749 . 0 0 "[ . 1 . 2]" 1
593 1 77 GLU HA 1 77 GLU HG3 . . 4.400 2.796 2.003 3.427 . 0 0 "[ . 1 . 2]" 1
594 1 77 GLU HA 1 78 GLU H . . 4.740 3.628 3.611 3.632 . 0 0 "[ . 1 . 2]" 1
595 1 77 GLU HA 1 80 LYS H . . 5.000 3.809 3.626 3.959 . 0 0 "[ . 1 . 2]" 1
596 1 77 GLU HA 1 80 LYS HG3 . . 5.270 3.443 2.230 4.475 . 0 0 "[ . 1 . 2]" 1
597 1 77 GLU HB3 1 78 GLU H . . 4.880 3.045 2.683 3.337 . 0 0 "[ . 1 . 2]" 1
598 1 77 GLU HG2 1 80 LYS HE2 . . 4.780 3.986 1.997 5.745 0.965 6 2 "[ .+ 1 .- 2]" 1
599 1 78 GLU H 1 78 GLU HB3 . . 3.550 3.225 2.614 3.556 0.006 16 0 "[ . 1 . 2]" 1
600 1 78 GLU H 1 78 GLU HG3 . . 4.290 3.569 2.183 4.347 0.057 6 0 "[ . 1 . 2]" 1
601 1 78 GLU H 1 79 SER H . . 4.100 2.607 2.522 2.706 . 0 0 "[ . 1 . 2]" 1
602 1 78 GLU H 1 80 LYS H . . 5.000 4.239 4.055 4.406 . 0 0 "[ . 1 . 2]" 1
603 1 78 GLU HA 1 79 SER H . . 3.600 3.610 3.561 3.625 0.025 11 0 "[ . 1 . 2]" 1
604 1 78 GLU HA 1 80 LYS H . . 5.200 4.613 4.414 4.714 . 0 0 "[ . 1 . 2]" 1
605 1 78 GLU HB3 1 79 SER H . . 4.620 3.077 2.520 3.896 . 0 0 "[ . 1 . 2]" 1
606 1 78 GLU HG2 1 79 SER H . . 5.270 4.854 4.046 5.181 . 0 0 "[ . 1 . 2]" 1
607 1 78 GLU HG3 1 79 SER H . . 5.270 4.895 4.349 5.252 . 0 0 "[ . 1 . 2]" 1
608 1 79 SER H 1 80 LYS H . . 3.000 2.818 2.691 2.916 . 0 0 "[ . 1 . 2]" 1
609 1 79 SER H 1 80 LYS HB3 . . 5.490 4.932 4.737 5.180 . 0 0 "[ . 1 . 2]" 1
610 1 79 SER HA 1 80 LYS H . . 5.000 3.632 3.619 3.638 . 0 0 "[ . 1 . 2]" 1
611 1 79 SER HA 1 82 LYS H . . 3.750 3.640 3.508 3.780 0.030 9 0 "[ . 1 . 2]" 1
612 1 80 LYS H 1 80 LYS HG2 . . 4.790 3.083 2.842 3.410 . 0 0 "[ . 1 . 2]" 1
613 1 80 LYS H 1 80 LYS HG3 . . 4.580 3.271 2.130 4.174 . 0 0 "[ . 1 . 2]" 1
614 1 80 LYS H 1 81 GLU H . . 3.600 2.549 2.445 2.604 . 0 0 "[ . 1 . 2]" 1
615 1 80 LYS H 1 81 GLU HB2 . . 5.160 4.389 4.245 4.494 . 0 0 "[ . 1 . 2]" 1
616 1 80 LYS H 1 82 LYS H . . 4.880 4.535 4.330 4.797 . 0 0 "[ . 1 . 2]" 1
617 1 80 LYS H 1 83 PHE H . . 5.500 5.333 4.914 5.512 0.012 4 0 "[ . 1 . 2]" 1
618 1 80 LYS HA 1 81 GLU H . . 5.000 3.460 3.386 3.528 . 0 0 "[ . 1 . 2]" 1
619 1 80 LYS HB2 1 81 GLU H . . 4.840 4.425 4.223 4.533 . 0 0 "[ . 1 . 2]" 1
620 1 80 LYS HB3 1 81 GLU H . . 4.530 4.043 3.806 4.275 . 0 0 "[ . 1 . 2]" 1
621 1 80 LYS QD 1 81 GLU H . . 4.530 4.033 2.903 4.415 . 0 0 "[ . 1 . 2]" 1
622 1 80 LYS HE2 1 80 LYS HG2 . . 4.350 2.918 2.105 3.705 . 0 0 "[ . 1 . 2]" 1
623 1 80 LYS HG2 1 81 GLU H . . 4.880 3.463 2.423 4.533 . 0 0 "[ . 1 . 2]" 1
624 1 80 LYS HG3 1 81 GLU H . . 4.810 3.209 2.310 4.231 . 0 0 "[ . 1 . 2]" 1
625 1 81 GLU H 1 81 GLU HB2 . . 3.550 2.167 2.047 2.323 . 0 0 "[ . 1 . 2]" 1
626 1 81 GLU H 1 81 GLU HG3 . . 4.440 4.137 3.437 4.459 0.019 9 0 "[ . 1 . 2]" 1
627 1 81 GLU H 1 82 LYS H . . 3.870 2.670 2.511 2.822 . 0 0 "[ . 1 . 2]" 1
628 1 81 GLU H 1 82 LYS HB3 . . 5.500 5.174 4.791 5.745 0.245 7 0 "[ . 1 . 2]" 1
629 1 81 GLU H 1 83 PHE H . . 5.000 4.524 4.389 4.637 . 0 0 "[ . 1 . 2]" 1
630 1 81 GLU HA 1 82 LYS H . . 3.600 3.616 3.594 3.641 0.041 13 0 "[ . 1 . 2]" 1
631 1 81 GLU HB2 1 82 LYS H . . 4.010 3.503 2.946 3.746 . 0 0 "[ . 1 . 2]" 1
632 1 81 GLU HB3 1 82 LYS H . . 4.430 2.662 2.321 2.975 . 0 0 "[ . 1 . 2]" 1
633 1 81 GLU HG3 1 82 LYS H . . 5.090 4.971 4.259 5.292 0.202 1 0 "[ . 1 . 2]" 1
634 1 82 LYS H 1 82 LYS HD2 . . 5.130 4.866 4.477 5.835 0.705 17 4 "[ .* 1 - . +* 2]" 1
635 1 82 LYS H 1 82 LYS HG3 . . 4.080 3.560 1.785 4.665 0.585 17 4 "[ .* 1 - . +* 2]" 1
636 1 82 LYS H 1 83 PHE H . . 3.000 2.507 2.331 2.792 . 0 0 "[ . 1 . 2]" 1
637 1 82 LYS H 1 83 PHE HA . . 5.040 4.703 4.623 5.004 . 0 0 "[ . 1 . 2]" 1
638 1 82 LYS H 1 84 GLY H . . 5.500 4.720 4.064 5.062 . 0 0 "[ . 1 . 2]" 1
639 1 82 LYS HA 1 82 LYS HG3 . . 4.450 3.238 2.877 3.600 . 0 0 "[ . 1 . 2]" 1
640 1 82 LYS HA 1 83 PHE H . . 3.600 3.638 3.634 3.640 0.040 1 0 "[ . 1 . 2]" 1
641 1 82 LYS HB2 1 83 PHE H . . 4.660 3.486 2.784 3.868 . 0 0 "[ . 1 . 2]" 1
642 1 82 LYS HB2 1 84 GLY H . . 5.500 5.741 4.961 6.425 0.925 3 8 "[-*+*. **1 * . *2]" 1
643 1 82 LYS HB3 1 82 LYS HE2 . . 4.790 4.203 2.575 4.668 . 0 0 "[ . 1 . 2]" 1
644 1 82 LYS HB3 1 82 LYS HE3 . . 4.880 4.146 3.596 4.806 . 0 0 "[ . 1 . 2]" 1
645 1 82 LYS HB3 1 83 PHE H . . 4.530 2.794 2.091 3.868 . 0 0 "[ . 1 . 2]" 1
646 1 82 LYS HE2 1 83 PHE HA . . 4.650 4.594 3.888 4.837 0.187 17 0 "[ . 1 . 2]" 1
647 1 82 LYS HE2 1 83 PHE HB2 . . 5.200 3.683 2.221 5.985 0.785 13 2 "[ . -1 + . 2]" 1
648 1 82 LYS HE3 1 83 PHE HA . . 4.810 4.725 4.402 4.870 0.060 8 0 "[ . 1 . 2]" 1
649 1 82 LYS HG2 1 84 GLY H . . 6.000 5.482 4.446 6.750 0.750 13 1 "[ . 1 + . 2]" 1
650 1 83 PHE H 1 83 PHE QD . . 5.000 3.168 1.908 3.903 . 0 0 "[ . 1 . 2]" 1
651 1 83 PHE H 1 84 GLY H . . 3.820 2.572 2.060 2.843 . 0 0 "[ . 1 . 2]" 1
652 1 83 PHE H 1 84 GLY HA3 . . 5.130 4.206 4.130 4.312 . 0 0 "[ . 1 . 2]" 1
653 1 83 PHE HA 1 84 GLY H . . 4.920 3.618 3.590 3.643 . 0 0 "[ . 1 . 2]" 1
654 1 83 PHE HA 1 85 LYS H . . 5.090 3.770 3.539 4.205 . 0 0 "[ . 1 . 2]" 1
655 1 83 PHE HB3 1 84 GLY H . . 6.000 2.500 1.940 3.820 . 0 0 "[ . 1 . 2]" 1
656 1 84 GLY H 1 85 LYS H . . 4.130 2.627 2.532 2.737 . 0 0 "[ . 1 . 2]" 1
657 1 84 GLY H 1 85 LYS HG2 . . 6.000 5.104 4.070 6.054 0.054 18 0 "[ . 1 . 2]" 1
658 1 84 GLY H 1 85 LYS HG3 . . 6.000 5.029 3.858 5.992 . 0 0 "[ . 1 . 2]" 1
659 1 84 GLY HA2 1 85 LYS H . . 3.620 3.249 2.985 3.386 . 0 0 "[ . 1 . 2]" 1
660 1 84 GLY HA3 1 85 LYS H . . 4.180 3.436 3.324 3.589 . 0 0 "[ . 1 . 2]" 1
661 1 85 LYS H 1 85 LYS HB3 . . 4.170 3.518 3.051 3.844 . 0 0 "[ . 1 . 2]" 1
662 1 85 LYS H 1 85 LYS QD . . 3.720 3.524 3.053 3.653 . 0 0 "[ . 1 . 2]" 1
663 1 85 LYS H 1 85 LYS HE2 . . 5.500 5.366 4.711 6.079 0.579 7 3 "[ * .-+ 1 . 2]" 1
664 1 85 LYS H 1 85 LYS HG2 . . 3.880 3.020 1.955 3.943 0.063 6 0 "[ . 1 . 2]" 1
665 1 85 LYS H 1 85 LYS HG3 . . 3.860 2.910 1.918 3.899 0.039 12 0 "[ . 1 . 2]" 1
666 1 85 LYS H 1 86 PRO HD2 . . 4.970 4.668 4.592 4.737 . 0 0 "[ . 1 . 2]" 1
667 1 85 LYS H 1 86 PRO HD3 . . 5.000 3.708 3.594 3.814 . 0 0 "[ . 1 . 2]" 1
668 1 85 LYS HA 1 86 PRO HB2 . . 5.500 5.463 5.451 5.479 . 0 0 "[ . 1 . 2]" 1
669 1 86 PRO HA 1 87 ASN H . . 3.600 2.513 2.501 2.520 . 0 0 "[ . 1 . 2]" 1
670 1 86 PRO HB2 1 87 ASN H . . 4.460 2.526 2.507 2.555 . 0 0 "[ . 1 . 2]" 1
671 1 86 PRO HB3 1 87 ASN H . . 5.250 3.310 3.302 3.323 . 0 0 "[ . 1 . 2]" 1
672 1 86 PRO HG2 1 87 ASN H . . 5.000 4.570 4.553 4.595 . 0 0 "[ . 1 . 2]" 1
673 1 86 PRO HG3 1 87 ASN H . . 5.000 5.095 5.083 5.114 0.114 4 0 "[ . 1 . 2]" 1
674 1 87 ASN H 1 87 ASN HD21 . . 5.460 1.870 1.828 2.088 . 0 0 "[ . 1 . 2]" 1
675 1 87 ASN H 1 92 PHE QD . . 5.000 4.478 4.106 4.829 . 0 0 "[ . 1 . 2]" 1
676 1 87 ASN HA 1 88 LYS H . . 5.130 2.305 2.252 2.627 . 0 0 "[ . 1 . 2]" 1
677 1 87 ASN HA 1 89 ARG HG2 . . 5.500 4.803 4.401 5.253 . 0 0 "[ . 1 . 2]" 1
678 1 87 ASN HD21 1 92 PHE QE . . 5.500 5.587 5.368 5.678 0.178 18 0 "[ . 1 . 2]" 1
679 1 88 LYS H 1 89 ARG H . . 5.020 4.038 3.774 4.145 . 0 0 "[ . 1 . 2]" 1
680 1 88 LYS H 1 89 ARG HB2 . . 6.000 5.910 5.573 6.084 0.084 5 0 "[ . 1 . 2]" 1
681 1 88 LYS HA 1 88 LYS HD2 . . 4.320 3.370 2.749 4.318 . 0 0 "[ . 1 . 2]" 1
682 1 88 LYS HA 1 89 ARG H . . 4.530 2.318 2.268 2.412 . 0 0 "[ . 1 . 2]" 1
683 1 88 LYS HB3 1 88 LYS HD2 . . 4.270 3.264 2.009 4.272 0.002 5 0 "[ . 1 . 2]" 1
684 1 88 LYS HB3 1 89 ARG H . . 5.070 4.401 4.146 4.628 . 0 0 "[ . 1 . 2]" 1
685 1 88 LYS HD3 1 89 ARG H . . 4.890 4.971 4.085 5.809 0.919 14 3 "[ . * +. -2]" 1
686 1 89 ARG H 1 89 ARG HB3 . . 3.910 3.573 3.516 3.627 . 0 0 "[ . 1 . 2]" 1
687 1 89 ARG H 1 89 ARG HD3 . . 4.680 4.628 4.184 5.187 0.507 1 1 "[+ . 1 . 2]" 1
688 1 89 ARG H 1 89 ARG HG3 . . 4.070 3.759 3.231 4.029 . 0 0 "[ . 1 . 2]" 1
689 1 89 ARG H 1 92 PHE HB3 . . 5.500 1.998 1.877 2.563 . 0 0 "[ . 1 . 2]" 1
690 1 89 ARG HA 1 89 ARG HD3 . . 4.840 2.439 1.998 3.388 . 0 0 "[ . 1 . 2]" 1
691 1 89 ARG HA 1 89 ARG HG2 . . 3.810 2.604 2.505 2.848 . 0 0 "[ . 1 . 2]" 1
692 1 89 ARG HA 1 90 LYS H . . 3.950 2.762 2.747 2.783 . 0 0 "[ . 1 . 2]" 1
693 1 89 ARG HA 1 90 LYS HB2 . . 5.500 4.685 4.535 4.995 . 0 0 "[ . 1 . 2]" 1
694 1 89 ARG HB2 1 90 LYS H . . 4.990 3.312 3.126 3.452 . 0 0 "[ . 1 . 2]" 1
695 1 89 ARG HB2 1 92 PHE H . . 4.930 2.954 2.761 3.223 . 0 0 "[ . 1 . 2]" 1
696 1 89 ARG HB3 1 90 LYS H . . 4.930 1.947 1.922 1.980 . 0 0 "[ . 1 . 2]" 1
697 1 89 ARG HB3 1 92 PHE H . . 4.960 3.538 3.192 3.752 . 0 0 "[ . 1 . 2]" 1
698 1 89 ARG HD2 1 90 LYS H . . 4.570 3.704 2.893 4.591 0.021 10 0 "[ . 1 . 2]" 1
699 1 89 ARG HD3 1 90 LYS H . . 4.840 3.383 2.953 4.579 . 0 0 "[ . 1 . 2]" 1
700 1 89 ARG HG2 1 90 LYS H . . 5.140 4.461 4.337 4.634 . 0 0 "[ . 1 . 2]" 1
701 1 89 ARG HG3 1 90 LYS H . . 5.340 4.509 4.328 4.681 . 0 0 "[ . 1 . 2]" 1
702 1 89 ARG HG3 1 92 PHE H . . 5.500 5.259 5.002 5.537 0.037 4 0 "[ . 1 . 2]" 1
703 1 90 LYS H 1 90 LYS HB2 . . 3.770 2.127 2.022 2.511 . 0 0 "[ . 1 . 2]" 1
704 1 90 LYS H 1 90 LYS QE . . 5.500 4.548 2.488 5.155 . 0 0 "[ . 1 . 2]" 1
705 1 90 LYS H 1 90 LYS HG3 . . 5.110 3.684 2.819 4.480 . 0 0 "[ . 1 . 2]" 1
706 1 90 LYS HA 1 91 GLY H . . 3.590 3.621 3.604 3.640 0.050 5 0 "[ . 1 . 2]" 1
707 1 90 LYS HA 1 92 PHE H . . 4.650 3.715 3.596 3.816 . 0 0 "[ . 1 . 2]" 1
708 1 90 LYS HB2 1 91 GLY H . . 4.720 3.117 2.405 3.818 . 0 0 "[ . 1 . 2]" 1
709 1 90 LYS HB2 1 92 PHE H . . 5.270 4.872 4.435 5.191 . 0 0 "[ . 1 . 2]" 1
710 1 90 LYS HB3 1 91 GLY H . . 4.730 2.867 2.143 3.372 . 0 0 "[ . 1 . 2]" 1
711 1 91 GLY H 1 92 PHE H . . 3.710 2.639 2.540 2.798 . 0 0 "[ . 1 . 2]" 1
712 1 91 GLY HA2 1 92 PHE H . . 5.000 3.443 3.403 3.501 . 0 0 "[ . 1 . 2]" 1
713 1 91 GLY HA2 1 94 GLU H . . 3.750 3.775 3.631 3.885 0.135 13 0 "[ . 1 . 2]" 1
714 1 91 GLY HA3 1 92 PHE H . . 4.970 3.253 3.170 3.303 . 0 0 "[ . 1 . 2]" 1
715 1 92 PHE H 1 92 PHE HB2 . . 4.160 2.594 2.360 2.777 . 0 0 "[ . 1 . 2]" 1
716 1 92 PHE H 1 92 PHE HB3 . . 4.150 2.200 2.024 2.408 . 0 0 "[ . 1 . 2]" 1
717 1 92 PHE H 1 92 PHE QD . . 4.930 3.988 3.797 4.091 . 0 0 "[ . 1 . 2]" 1
718 1 92 PHE H 1 93 SER H . . 4.100 2.463 2.421 2.540 . 0 0 "[ . 1 . 2]" 1
719 1 92 PHE H 1 93 SER HA . . 4.950 5.024 4.992 5.072 0.122 13 0 "[ . 1 . 2]" 1
720 1 92 PHE HA 1 93 SER H . . 4.490 3.614 3.574 3.637 . 0 0 "[ . 1 . 2]" 1
721 1 92 PHE HA 1 95 GLY H . . 3.750 3.581 3.474 3.798 0.048 17 0 "[ . 1 . 2]" 1
722 1 92 PHE HB2 1 93 SER H . . 4.510 3.863 3.591 4.125 . 0 0 "[ . 1 . 2]" 1
723 1 92 PHE HB3 1 93 SER H . . 4.190 2.478 2.186 2.829 . 0 0 "[ . 1 . 2]" 1
724 1 92 PHE QD 1 93 SER H . . 4.960 2.857 2.536 3.327 . 0 0 "[ . 1 . 2]" 1
725 1 92 PHE QE 1 96 LEU MD1 . . 4.980 4.262 3.439 4.707 . 0 0 "[ . 1 . 2]" 1
726 1 92 PHE QE 1 96 LEU MD2 . . 5.080 5.136 5.079 5.189 0.109 16 0 "[ . 1 . 2]" 1
727 1 93 SER H 1 94 GLU H . . 4.080 2.704 2.627 2.768 . 0 0 "[ . 1 . 2]" 1
728 1 93 SER H 1 94 GLU HB3 . . 5.150 4.829 4.669 5.141 . 0 0 "[ . 1 . 2]" 1
729 1 93 SER H 1 95 GLY H . . 5.250 3.640 3.455 3.796 . 0 0 "[ . 1 . 2]" 1
730 1 93 SER HA 1 94 GLU H . . 4.770 3.642 3.635 3.647 . 0 0 "[ . 1 . 2]" 1
731 1 93 SER HA 1 96 LEU H . . 3.750 3.795 3.551 3.910 0.160 19 0 "[ . 1 . 2]" 1
732 1 93 SER HA 1 97 TRP H . . 5.000 4.343 4.105 4.425 . 0 0 "[ . 1 . 2]" 1
733 1 94 GLU H 1 94 GLU HG2 . . 4.630 2.606 1.927 2.758 . 0 0 "[ . 1 . 2]" 1
734 1 94 GLU H 1 95 GLY H . . 3.930 2.584 2.519 2.757 . 0 0 "[ . 1 . 2]" 1
735 1 94 GLU H 1 95 GLY HA2 . . 5.300 5.136 5.051 5.315 0.015 17 0 "[ . 1 . 2]" 1
736 1 94 GLU H 1 96 LEU H . . 4.920 4.632 4.410 4.967 0.047 8 0 "[ . 1 . 2]" 1
737 1 94 GLU HA 1 95 GLY H . . 5.000 3.517 3.389 3.588 . 0 0 "[ . 1 . 2]" 1
738 1 94 GLU HA 1 97 TRP H . . 3.750 3.472 3.349 3.711 . 0 0 "[ . 1 . 2]" 1
739 1 94 GLU HA 1 98 GLU HB2 . . 5.130 4.960 4.304 5.164 0.034 20 0 "[ . 1 . 2]" 1
740 1 94 GLU HB2 1 98 GLU HG3 . . 5.030 3.994 3.541 5.191 0.161 17 0 "[ . 1 . 2]" 1
741 1 94 GLU HB3 1 95 GLY H . . 4.920 3.917 3.759 4.130 . 0 0 "[ . 1 . 2]" 1
742 1 94 GLU HG2 1 95 GLY H . . 5.500 2.467 2.110 2.990 . 0 0 "[ . 1 . 2]" 1
743 1 94 GLU HG3 1 95 GLY H . . 5.230 3.183 2.762 3.643 . 0 0 "[ . 1 . 2]" 1
744 1 94 GLU HG3 1 98 GLU HB2 . . 4.980 3.945 3.610 4.457 . 0 0 "[ . 1 . 2]" 1
745 1 94 GLU HG3 1 98 GLU HB3 . . 5.080 5.109 4.986 5.130 0.050 18 0 "[ . 1 . 2]" 1
746 1 95 GLY H 1 96 LEU H . . 3.860 2.732 2.656 2.862 . 0 0 "[ . 1 . 2]" 1
747 1 95 GLY H 1 97 TRP H . . 5.500 3.645 3.357 3.775 . 0 0 "[ . 1 . 2]" 1
748 1 95 GLY HA2 1 96 LEU H . . 4.520 3.643 3.641 3.645 . 0 0 "[ . 1 . 2]" 1
749 1 95 GLY HA2 1 98 GLU H . . 3.750 3.064 2.912 3.140 . 0 0 "[ . 1 . 2]" 1
750 1 95 GLY HA2 1 99 ILE H . . 5.150 4.559 4.203 4.645 . 0 0 "[ . 1 . 2]" 1
751 1 95 GLY HA3 1 96 LEU H . . 4.190 2.679 2.600 2.744 . 0 0 "[ . 1 . 2]" 1
752 1 96 LEU H 1 96 LEU MD1 . . 4.900 3.306 1.975 3.692 . 0 0 "[ . 1 . 2]" 1
753 1 96 LEU H 1 96 LEU MD2 . . 4.810 4.141 3.926 4.201 . 0 0 "[ . 1 . 2]" 1
754 1 96 LEU H 1 96 LEU HG . . 5.090 4.413 3.890 4.536 . 0 0 "[ . 1 . 2]" 1
755 1 96 LEU H 1 97 TRP H . . 3.840 2.666 2.605 2.831 . 0 0 "[ . 1 . 2]" 1
756 1 96 LEU HA 1 96 LEU MD2 . . 3.760 2.320 2.022 3.168 . 0 0 "[ . 1 . 2]" 1
757 1 96 LEU HA 1 97 TRP H . . 5.000 3.530 3.499 3.549 . 0 0 "[ . 1 . 2]" 1
758 1 96 LEU HA 1 99 ILE H . . 4.000 3.538 3.460 3.817 . 0 0 "[ . 1 . 2]" 1
759 1 96 LEU HA 1 99 ILE MG . . 4.330 2.171 2.023 2.294 . 0 0 "[ . 1 . 2]" 1
760 1 96 LEU HA 1 100 GLU H . . 5.000 4.021 3.881 4.357 . 0 0 "[ . 1 . 2]" 1
761 1 96 LEU HB2 1 97 TRP H . . 4.730 4.360 4.308 4.403 . 0 0 "[ . 1 . 2]" 1
762 1 96 LEU HB3 1 97 TRP H . . 5.190 3.299 3.144 3.911 . 0 0 "[ . 1 . 2]" 1
763 1 96 LEU HB3 1 97 TRP HA . . 4.930 5.033 4.860 5.620 0.690 19 2 "[ . - 1 . +2]" 1
764 1 96 LEU HB3 1 99 ILE H . . 6.000 5.766 5.653 5.864 . 0 0 "[ . 1 . 2]" 1
765 1 96 LEU HB3 1 99 ILE MG . . 5.110 4.468 4.223 4.611 . 0 0 "[ . 1 . 2]" 1
766 1 96 LEU MD1 1 97 TRP HA . . 4.770 2.559 2.346 3.117 . 0 0 "[ . 1 . 2]" 1
767 1 96 LEU MD1 1 97 TRP HD1 . . 5.380 4.939 4.726 5.459 0.079 9 0 "[ . 1 . 2]" 1
768 1 96 LEU MD1 1 97 TRP HH2 . . 5.240 4.382 4.148 5.345 0.105 8 0 "[ . 1 . 2]" 1
769 1 96 LEU MD1 1 97 TRP HZ3 . . 4.620 2.823 2.598 3.442 . 0 0 "[ . 1 . 2]" 1
770 1 96 LEU MD2 1 97 TRP HA . . 3.650 3.506 2.391 3.726 0.076 9 0 "[ . 1 . 2]" 1
771 1 96 LEU MD2 1 99 ILE H . . 5.000 4.236 4.016 4.499 . 0 0 "[ . 1 . 2]" 1
772 1 96 LEU MD2 1 99 ILE MD . . 5.330 3.234 2.952 4.037 . 0 0 "[ . 1 . 2]" 1
773 1 97 TRP H 1 97 TRP HB2 . . 4.100 2.150 2.100 2.397 . 0 0 "[ . 1 . 2]" 1
774 1 97 TRP H 1 97 TRP HB3 . . 3.980 3.093 2.731 3.145 . 0 0 "[ . 1 . 2]" 1
775 1 97 TRP H 1 97 TRP HD1 . . 5.460 5.361 5.273 5.391 . 0 0 "[ . 1 . 2]" 1
776 1 97 TRP H 1 98 GLU H . . 4.230 2.223 2.193 2.273 . 0 0 "[ . 1 . 2]" 1
777 1 97 TRP H 1 99 ILE H . . 5.290 3.870 3.666 3.948 . 0 0 "[ . 1 . 2]" 1
778 1 97 TRP H 1 99 ILE MG . . 5.210 3.974 3.683 4.067 . 0 0 "[ . 1 . 2]" 1
779 1 97 TRP H 1 100 GLU H . . 5.000 4.537 4.333 4.622 . 0 0 "[ . 1 . 2]" 1
780 1 97 TRP H 1 100 GLU HB2 . . 4.760 4.752 4.548 4.819 0.059 2 0 "[ . 1 . 2]" 1
781 1 97 TRP HA 1 98 GLU H . . 5.000 3.515 3.496 3.613 . 0 0 "[ . 1 . 2]" 1
782 1 97 TRP HA 1 100 GLU H . . 3.750 3.079 2.722 3.201 . 0 0 "[ . 1 . 2]" 1
783 1 97 TRP HA 1 101 ASN HD21 . . 4.790 2.051 1.925 4.193 . 0 0 "[ . 1 . 2]" 1
784 1 97 TRP HA 1 101 ASN HD22 . . 4.690 2.748 2.481 2.872 . 0 0 "[ . 1 . 2]" 1
785 1 97 TRP HB3 1 97 TRP HE1 . . 5.380 4.956 4.910 4.971 . 0 0 "[ . 1 . 2]" 1
786 1 97 TRP HB3 1 98 GLU H . . 5.100 3.398 2.702 3.508 . 0 0 "[ . 1 . 2]" 1
787 1 97 TRP HD1 1 101 ASN HD22 . . 5.430 3.371 3.168 3.943 . 0 0 "[ . 1 . 2]" 1
788 1 97 TRP HE1 1 101 ASN HA . . 6.000 5.997 5.880 6.072 0.072 9 0 "[ . 1 . 2]" 1
789 1 97 TRP HE1 1 101 ASN HB2 . . 5.170 4.323 3.925 5.264 0.094 9 0 "[ . 1 . 2]" 1
790 1 97 TRP HE1 1 101 ASN HB3 . . 5.360 4.316 4.072 4.472 . 0 0 "[ . 1 . 2]" 1
791 1 97 TRP HE1 1 101 ASN HD21 . . 4.650 4.467 4.246 4.656 0.006 17 0 "[ . 1 . 2]" 1
792 1 97 TRP HE1 1 101 ASN HD22 . . 5.480 3.613 3.490 3.916 . 0 0 "[ . 1 . 2]" 1
793 1 97 TRP HE3 1 98 GLU H . . 5.450 5.502 5.448 5.652 0.202 19 0 "[ . 1 . 2]" 1
794 1 98 GLU H 1 98 GLU HG3 . . 5.500 3.639 3.161 4.604 . 0 0 "[ . 1 . 2]" 1
795 1 98 GLU H 1 99 ILE H . . 4.000 2.526 2.476 2.783 . 0 0 "[ . 1 . 2]" 1
796 1 98 GLU HA 1 99 ILE H . . 5.000 3.505 3.475 3.532 . 0 0 "[ . 1 . 2]" 1
797 1 98 GLU HB2 1 100 GLU H . . 5.500 5.416 5.259 6.042 0.542 17 1 "[ . 1 . + 2]" 1
798 1 99 ILE H 1 100 GLU H . . 3.960 2.147 2.074 2.203 . 0 0 "[ . 1 . 2]" 1
799 1 99 ILE H 1 100 GLU HA . . 5.170 4.764 4.698 4.813 . 0 0 "[ . 1 . 2]" 1
800 1 99 ILE H 1 101 ASN H . . 5.500 3.336 3.239 3.490 . 0 0 "[ . 1 . 2]" 1
801 1 99 ILE HA 1 100 GLU H . . 5.000 3.603 3.578 3.617 . 0 0 "[ . 1 . 2]" 1
802 1 99 ILE HA 1 102 ASN HA . . 5.280 4.345 3.908 4.606 . 0 0 "[ . 1 . 2]" 1
803 1 99 ILE HA 1 102 ASN HB3 . . 5.050 3.371 2.995 3.825 . 0 0 "[ . 1 . 2]" 1
804 1 99 ILE MD 1 99 ILE MG . . 3.940 1.874 1.826 1.947 . 0 0 "[ . 1 . 2]" 1
805 1 99 ILE MD 1 100 GLU H . . 5.120 2.394 2.311 2.586 . 0 0 "[ . 1 . 2]" 1
806 1 99 ILE MD 1 101 ASN H . . 5.170 4.313 4.036 4.380 . 0 0 "[ . 1 . 2]" 1
807 1 99 ILE MD 1 101 ASN HD21 . . 5.500 5.004 4.891 5.581 0.081 9 0 "[ . 1 . 2]" 1
808 1 99 ILE MD 1 101 ASN HD22 . . 5.500 5.588 5.544 5.631 0.131 1 0 "[ . 1 . 2]" 1
809 1 99 ILE MG 1 100 GLU H . . 4.320 1.952 1.910 2.131 . 0 0 "[ . 1 . 2]" 1
810 1 99 ILE MG 1 100 GLU HB2 . . 4.670 3.432 3.284 3.625 . 0 0 "[ . 1 . 2]" 1
811 1 99 ILE MG 1 100 GLU HB3 . . 4.820 4.740 4.619 4.930 0.110 9 0 "[ . 1 . 2]" 1
812 1 99 ILE MG 1 100 GLU HG2 . . 4.840 3.523 2.950 4.152 . 0 0 "[ . 1 . 2]" 1
813 1 99 ILE MG 1 100 GLU HG3 . . 4.790 3.602 2.769 4.215 . 0 0 "[ . 1 . 2]" 1
814 1 100 GLU H 1 100 GLU HG2 . . 4.850 3.236 2.791 3.692 . 0 0 "[ . 1 . 2]" 1
815 1 100 GLU H 1 100 GLU HG3 . . 4.970 3.423 2.824 3.880 . 0 0 "[ . 1 . 2]" 1
816 1 100 GLU H 1 101 ASN H . . 3.000 2.464 2.339 2.590 . 0 0 "[ . 1 . 2]" 1
817 1 100 GLU H 1 101 ASN HB2 . . 5.240 5.068 4.887 5.360 0.120 9 0 "[ . 1 . 2]" 1
818 1 100 GLU H 1 101 ASN HD22 . . 5.500 4.251 4.017 4.359 . 0 0 "[ . 1 . 2]" 1
819 1 100 GLU H 1 102 ASN H . . 5.050 4.932 4.667 5.062 0.012 18 0 "[ . 1 . 2]" 1
820 1 100 GLU HA 1 101 ASN H . . 3.600 3.532 3.395 3.576 . 0 0 "[ . 1 . 2]" 1
821 1 100 GLU HA 1 101 ASN HD21 . . 5.500 4.086 3.970 4.264 . 0 0 "[ . 1 . 2]" 1
822 1 100 GLU HA 1 101 ASN HD22 . . 4.950 4.564 4.516 4.710 . 0 0 "[ . 1 . 2]" 1
823 1 100 GLU HB2 1 101 ASN HD21 . . 5.180 2.452 2.231 3.510 . 0 0 "[ . 1 . 2]" 1
824 1 100 GLU HB3 1 101 ASN HD21 . . 5.270 2.806 2.703 3.118 . 0 0 "[ . 1 . 2]" 1
825 1 100 GLU HB3 1 101 ASN HD22 . . 4.680 2.302 2.178 2.755 . 0 0 "[ . 1 . 2]" 1
826 1 100 GLU HG2 1 101 ASN H . . 4.990 4.932 4.786 5.101 0.111 10 0 "[ . 1 . 2]" 1
827 1 100 GLU HG3 1 101 ASN H . . 5.370 5.171 4.790 5.396 0.026 20 0 "[ . 1 . 2]" 1
828 1 101 ASN H 1 101 ASN HD21 . . 4.770 1.964 1.886 3.109 . 0 0 "[ . 1 . 2]" 1
829 1 101 ASN H 1 102 ASN H . . 3.970 3.213 2.878 3.369 . 0 0 "[ . 1 . 2]" 1
830 1 101 ASN HA 1 101 ASN HD22 . . 5.340 4.231 3.952 4.338 . 0 0 "[ . 1 . 2]" 1
831 1 101 ASN HA 1 102 ASN H . . 5.110 2.567 2.495 2.778 . 0 0 "[ . 1 . 2]" 1
832 1 101 ASN HA 1 102 ASN HA . . 5.260 4.598 4.538 4.712 . 0 0 "[ . 1 . 2]" 1
833 1 101 ASN HB2 1 102 ASN H . . 4.920 4.427 4.306 4.458 . 0 0 "[ . 1 . 2]" 1
834 1 101 ASN HB3 1 102 ASN H . . 4.970 4.425 4.353 4.646 . 0 0 "[ . 1 . 2]" 1
835 1 101 ASN HD21 1 102 ASN H . . 5.000 4.798 4.559 4.954 . 0 0 "[ . 1 . 2]" 1
836 1 102 ASN HB2 1 103 PRO HA . . 5.370 4.782 4.620 4.966 . 0 0 "[ . 1 . 2]" 1
837 1 102 ASN HD21 1 105 VAL H . . 5.110 4.643 1.903 5.350 0.240 10 0 "[ . 1 . 2]" 1
838 1 102 ASN HD21 1 105 VAL HA . . 5.500 3.359 1.994 5.205 . 0 0 "[ . 1 . 2]" 1
839 1 102 ASN HD21 1 105 VAL HB . . 4.780 3.514 2.315 4.444 . 0 0 "[ . 1 . 2]" 1
840 1 102 ASN HD21 1 105 VAL QG . . 4.600 3.064 2.247 3.755 . 0 0 "[ . 1 . 2]" 1
841 1 102 ASN HD22 1 105 VAL H . . 5.280 4.255 3.017 5.072 . 0 0 "[ . 1 . 2]" 1
842 1 102 ASN HD22 1 105 VAL HA . . 5.500 3.058 1.948 5.469 . 0 0 "[ . 1 . 2]" 1
843 1 102 ASN HD22 1 105 VAL HB . . 4.630 2.691 1.934 3.489 . 0 0 "[ . 1 . 2]" 1
844 1 102 ASN HD22 1 105 VAL QG . . 4.420 2.245 1.799 4.048 . 0 0 "[ . 1 . 2]" 1
845 1 103 PRO HA 1 104 THR HA . . 5.000 4.456 4.378 4.528 . 0 0 "[ . 1 . 2]" 1
846 1 103 PRO HA 1 105 VAL H . . 5.150 4.958 4.076 5.188 0.038 15 0 "[ . 1 . 2]" 1
847 1 103 PRO HB2 1 104 THR MG . . 5.100 4.679 3.710 5.114 0.014 17 0 "[ . 1 . 2]" 1
848 1 104 THR H 1 104 THR MG . . 4.060 3.157 1.989 4.001 . 0 0 "[ . 1 . 2]" 1
849 1 104 THR H 1 105 VAL H . . 3.910 3.576 2.577 3.915 0.005 19 0 "[ . 1 . 2]" 1
850 1 104 THR H 1 105 VAL HB . . 5.030 4.880 4.188 5.056 0.026 10 0 "[ . 1 . 2]" 1
851 1 104 THR HA 1 105 VAL H . . 4.540 2.354 2.240 2.721 . 0 0 "[ . 1 . 2]" 1
852 1 104 THR HB 1 105 VAL H . . 5.470 4.615 4.427 4.713 . 0 0 "[ . 1 . 2]" 1
853 1 104 THR MG 1 105 VAL H . . 5.190 3.979 3.523 4.258 . 0 0 "[ . 1 . 2]" 1
854 1 104 THR MG 1 106 LYS QB . . 4.960 4.198 3.390 4.799 . 0 0 "[ . 1 . 2]" 1
855 1 105 VAL H 1 105 VAL HB . . 3.770 2.471 2.280 2.771 . 0 0 "[ . 1 . 2]" 1
856 1 105 VAL H 1 105 VAL QG . . 3.900 2.192 1.970 2.644 . 0 0 "[ . 1 . 2]" 1
857 1 105 VAL H 1 106 LYS H . . 4.540 4.481 4.306 4.581 0.041 9 0 "[ . 1 . 2]" 1
858 1 105 VAL HA 1 106 LYS H . . 3.810 2.432 2.184 2.748 . 0 0 "[ . 1 . 2]" 1
859 1 105 VAL HA 1 106 LYS QB . . 5.500 4.286 4.005 4.564 . 0 0 "[ . 1 . 2]" 1
860 1 105 VAL HA 1 106 LYS HG3 . . 5.150 4.256 3.425 6.039 0.889 15 2 "[ .- 1 + 2]" 1
861 1 105 VAL HA 1 107 ALA H . . 5.450 3.820 3.450 4.082 . 0 0 "[ . 1 . 2]" 1
862 1 105 VAL HB 1 106 LYS H . . 4.900 4.093 3.754 4.551 . 0 0 "[ . 1 . 2]" 1
863 1 105 VAL HB 1 107 ALA H . . 5.500 5.267 4.753 5.546 0.046 12 0 "[ . 1 . 2]" 1
864 1 105 VAL QG 1 106 LYS H . . 3.960 2.294 1.777 3.202 . 0 0 "[ . 1 . 2]" 1
865 1 105 VAL QG 1 106 LYS HG2 . . 5.000 4.432 3.719 4.740 . 0 0 "[ . 1 . 2]" 1
866 1 105 VAL QG 1 106 LYS HG3 . . 4.530 3.853 3.231 4.880 0.350 6 0 "[ . 1 . 2]" 1
867 1 105 VAL QG 1 107 ALA H . . 4.680 2.610 2.091 2.855 . 0 0 "[ . 1 . 2]" 1
868 1 106 LYS H 1 106 LYS HG3 . . 5.090 2.637 2.214 3.817 . 0 0 "[ . 1 . 2]" 1
869 1 106 LYS H 1 107 ALA H . . 5.030 2.069 1.871 2.616 . 0 0 "[ . 1 . 2]" 1
870 1 106 LYS HA 1 106 LYS HD2 . . 5.090 4.508 3.781 5.274 0.184 8 0 "[ . 1 . 2]" 1
871 1 106 LYS HA 1 107 ALA H . . 3.650 3.579 3.548 3.606 . 0 0 "[ . 1 . 2]" 1
872 1 106 LYS QB 1 107 ALA H . . 4.100 3.551 3.437 3.652 . 0 0 "[ . 1 . 2]" 1
873 1 106 LYS HD2 1 107 ALA H . . 4.420 3.768 2.320 4.868 0.448 6 0 "[ . 1 . 2]" 1
874 1 106 LYS HE3 1 107 ALA H . . 5.500 4.340 2.794 6.205 0.705 15 1 "[ . 1 + 2]" 1
875 1 106 LYS HG2 1 107 ALA H . . 3.510 3.333 1.963 3.683 0.173 16 0 "[ . 1 . 2]" 1
876 1 106 LYS HG3 1 107 ALA H . . 4.520 2.056 1.874 3.133 . 0 0 "[ . 1 . 2]" 1
877 1 107 ALA H 1 107 ALA MB . . 3.620 2.235 1.952 2.694 . 0 0 "[ . 1 . 2]" 1
878 1 108 SER HA 1 109 GLY H . . 3.860 2.742 2.230 3.648 . 0 0 "[ . 1 . 2]" 1
879 1 108 SER HB2 1 109 GLY H . . 3.690 3.331 2.209 4.549 0.859 1 1 "[+ . 1 . 2]" 1
880 1 109 GLY H 1 110 TYR H . . 4.360 3.793 2.253 4.340 . 0 0 "[ . 1 . 2]" 1
881 1 109 GLY HA2 1 110 TYR H . . 4.560 2.881 2.208 3.645 . 0 0 "[ . 1 . 2]" 1
882 1 109 GLY HA3 1 110 TYR H . . 3.860 2.742 2.199 3.532 . 0 0 "[ . 1 . 2]" 1
883 1 110 TYR HA 1 110 TYR QE . . 5.130 5.303 5.274 5.312 0.182 6 0 "[ . 1 . 2]" 1
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