NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615691 |
2ncn   |
26603 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ncn
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 925
_Distance_constraint_stats_list.Viol_count 668
_Distance_constraint_stats_list.Viol_total 888.261
_Distance_constraint_stats_list.Viol_max 0.983
_Distance_constraint_stats_list.Viol_rms 0.0520
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1330
_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 5 PRO 0.666 0.192 7 0 "[ . 1]"
1 6 PRO 0.666 0.192 7 0 "[ . 1]"
1 12 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 17 GLN 0.000 0.000 . 0 "[ . 1]"
1 19 LYS 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.573 0.093 4 0 "[ . 1]"
1 21 LEU 2.824 0.211 1 0 "[ . 1]"
1 22 ALA 3.219 0.211 1 0 "[ . 1]"
1 23 ILE 5.170 0.406 6 0 "[ . 1]"
1 24 ARG 2.340 0.185 10 0 "[ . 1]"
1 25 GLN 0.804 0.411 7 0 "[ . 1]"
1 26 GLU 5.311 0.652 6 1 "[ .+ 1]"
1 27 GLU 6.192 0.666 1 1 "[+ . 1]"
1 28 VAL 5.180 0.428 1 0 "[ . 1]"
1 29 ALA 3.055 0.652 6 1 "[ .+ 1]"
1 30 GLY 0.672 0.117 1 0 "[ . 1]"
1 31 ILE 3.431 0.458 2 0 "[ . 1]"
1 32 ARG 1.433 0.300 4 0 "[ . 1]"
1 33 ALA 1.378 0.300 4 0 "[ . 1]"
1 34 LYS 0.795 0.458 2 0 "[ . 1]"
1 35 PHE 2.065 0.440 10 0 "[ . 1]"
1 36 PRO 2.258 0.216 2 0 "[ . 1]"
1 37 ASN 3.245 0.440 10 0 "[ . 1]"
1 38 LYS 2.555 0.779 3 1 "[ + . 1]"
1 39 ILE 2.299 0.779 3 1 "[ + . 1]"
1 40 PRO 0.144 0.056 10 0 "[ . 1]"
1 41 VAL 0.233 0.198 10 0 "[ . 1]"
1 42 VAL 0.591 0.108 5 0 "[ . 1]"
1 43 VAL 2.771 0.661 3 3 "[ +-. * 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 ARG 0.000 0.000 . 0 "[ . 1]"
1 46 TYR 2.576 0.210 9 0 "[ . 1]"
1 47 PRO 0.000 0.000 . 0 "[ . 1]"
1 48 ARG 0.372 0.126 1 0 "[ . 1]"
1 49 GLU 0.852 0.485 7 0 "[ . 1]"
1 50 THR 0.278 0.092 2 0 "[ . 1]"
1 51 PHE 0.644 0.485 7 0 "[ . 1]"
1 52 LEU 1.235 0.293 10 0 "[ . 1]"
1 53 PRO 0.868 0.293 10 0 "[ . 1]"
1 54 PRO 0.174 0.152 7 0 "[ . 1]"
1 55 LEU 3.030 0.424 4 0 "[ . 1]"
1 56 ASP 0.152 0.152 10 0 "[ . 1]"
1 57 LYS 0.532 0.112 9 0 "[ . 1]"
1 58 THR 0.048 0.036 6 0 "[ . 1]"
1 59 LYS 0.243 0.114 5 0 "[ . 1]"
1 60 PHE 0.484 0.198 10 0 "[ . 1]"
1 61 LEU 0.177 0.117 7 0 "[ . 1]"
1 62 VAL 0.021 0.015 9 0 "[ . 1]"
1 63 PRO 0.000 0.000 . 0 "[ . 1]"
1 64 GLN 0.307 0.084 2 0 "[ . 1]"
1 65 GLU 0.000 0.000 . 0 "[ . 1]"
1 66 LEU 5.466 0.925 10 4 "[- ** +]"
1 67 THR 1.959 0.250 5 0 "[ . 1]"
1 68 MET 2.749 0.454 4 0 "[ . 1]"
1 69 THR 4.265 0.704 9 2 "[ .- +1]"
1 70 GLN 0.000 0.000 . 0 "[ . 1]"
1 71 PHE 3.107 0.504 9 2 "[ .- +1]"
1 72 LEU 4.225 0.704 9 2 "[ .- +1]"
1 73 SER 0.000 0.000 . 0 "[ . 1]"
1 74 ILE 1.077 0.136 6 0 "[ . 1]"
1 75 ILE 2.517 0.661 3 3 "[ +-. * 1]"
1 76 ARG 0.017 0.017 8 0 "[ . 1]"
1 77 SER 0.895 0.136 6 0 "[ . 1]"
1 78 ARG 0.037 0.037 8 0 "[ . 1]"
1 79 MET 3.362 0.615 10 1 "[ . +]"
1 80 VAL 2.078 0.507 8 1 "[ . + 1]"
1 81 LEU 2.702 0.615 10 1 "[ . +]"
1 82 ARG 1.053 0.540 6 2 "[ .+ -]"
1 83 ALA 0.743 0.182 6 0 "[ . 1]"
1 84 THR 0.985 0.182 6 0 "[ . 1]"
1 85 GLU 5.772 0.983 9 5 "[ -* .** +1]"
1 86 ALA 2.126 0.640 3 2 "[ -+ . 1]"
1 87 PHE 3.495 0.288 10 0 "[ . 1]"
1 88 TYR 4.405 0.450 3 0 "[ . 1]"
1 89 LEU 0.932 0.323 10 0 "[ . 1]"
1 90 LEU 0.000 0.000 . 0 "[ . 1]"
1 91 VAL 0.358 0.141 2 0 "[ . 1]"
1 92 ASN 0.000 0.000 . 0 "[ . 1]"
1 93 ASN 0.389 0.209 8 0 "[ . 1]"
1 94 LYS 1.299 0.308 2 0 "[ . 1]"
1 95 SER 0.413 0.233 8 0 "[ . 1]"
1 96 LEU 0.139 0.122 8 0 "[ . 1]"
1 97 VAL 0.139 0.122 8 0 "[ . 1]"
1 98 SER 1.150 0.149 1 0 "[ . 1]"
1 99 MET 1.087 0.149 1 0 "[ . 1]"
1 100 SER 1.228 0.149 1 0 "[ . 1]"
1 101 ALA 0.542 0.117 8 0 "[ . 1]"
1 102 THR 0.000 0.000 . 0 "[ . 1]"
1 103 MET 3.574 0.925 10 4 "[- ** +]"
1 104 ALA 0.774 0.104 9 0 "[ . 1]"
1 105 GLU 0.613 0.085 6 0 "[ . 1]"
1 106 ILE 2.323 0.384 1 0 "[ . 1]"
1 107 TYR 0.481 0.095 2 0 "[ . 1]"
1 108 ARG 1.972 0.241 6 0 "[ . 1]"
1 109 ASP 2.772 0.586 6 1 "[ .+ 1]"
1 110 TYR 4.497 0.586 6 1 "[ .+ 1]"
1 111 LYS 0.327 0.083 6 0 "[ . 1]"
1 112 ASP 0.214 0.094 2 0 "[ . 1]"
1 113 GLU 0.081 0.053 9 0 "[ . 1]"
1 114 ASP 1.303 0.411 7 0 "[ . 1]"
1 115 GLY 0.003 0.003 4 0 "[ . 1]"
1 116 PHE 2.944 0.666 1 1 "[+ . 1]"
1 117 VAL 1.690 0.169 8 0 "[ . 1]"
1 118 TYR 0.485 0.094 2 0 "[ . 1]"
1 119 MET 1.047 0.372 9 0 "[ . 1]"
1 120 THR 2.767 0.372 9 0 "[ . 1]"
1 121 TYR 1.428 0.210 9 0 "[ . 1]"
1 122 ALA 1.772 0.450 3 0 "[ . 1]"
1 123 SER 0.363 0.128 5 0 "[ . 1]"
1 124 GLN 0.213 0.074 8 0 "[ . 1]"
1 125 GLU 0.710 0.291 5 0 "[ . 1]"
1 126 THR 0.398 0.120 8 0 "[ . 1]"
1 127 PHE 1.176 0.313 5 0 "[ . 1]"
1 128 GLY 0.779 0.313 5 0 "[ . 1]"
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 1 109 ASP HA 1 109 ASP HB2 2.300 . 3.000 2.632 2.501 3.007 0.007 6 0 "[ . 1]" 1
2 1 59 LYS HA 1 59 LYS HG3 2.700 . 3.600 3.161 2.998 3.629 0.029 5 0 "[ . 1]" 1
3 1 42 VAL MG2 1 59 LYS HA 3.400 . 4.800 3.126 2.762 3.366 . 0 0 "[ . 1]" 1
4 1 104 ALA HA 1 107 TYR HB3 3.100 . 4.300 3.075 2.910 3.243 . 0 0 "[ . 1]" 1
5 1 39 ILE MD 1 104 ALA HA 2.500 . 3.100 2.128 1.968 2.330 . 0 0 "[ . 1]" 1
6 1 42 VAL HA 1 59 LYS HA 3.300 . 4.100 2.544 2.222 3.043 . 0 0 "[ . 1]" 1
7 1 55 LEU QD 1 121 TYR QE 2.800 . 2.800 2.511 1.950 2.670 . 0 0 "[ . 1]" 1
8 1 52 LEU QD 1 87 PHE QD 3.200 . 4.500 3.035 2.652 3.372 . 0 0 "[ . 1]" 1
9 1 55 LEU QD 1 75 ILE MG 2.500 . 2.800 1.835 1.746 1.976 . 0 0 "[ . 1]" 1
10 1 55 LEU HB2 1 56 ASP HA 2.400 . 6.000 5.138 4.949 5.673 . 0 0 "[ . 1]" 1
11 1 46 TYR HA 1 122 ALA MB 3.400 . 4.900 4.344 4.114 4.586 . 0 0 "[ . 1]" 1
12 1 89 LEU QD 1 89 LEU HG 2.100 . 2.600 1.893 1.887 1.896 . 0 0 "[ . 1]" 1
13 1 55 LEU QD 1 75 ILE HA 3.300 . 4.100 2.737 1.958 3.025 . 0 0 "[ . 1]" 1
14 1 61 LEU QD 1 61 LEU HG 2.100 . 2.600 1.893 1.891 1.895 . 0 0 "[ . 1]" 1
15 1 39 ILE HA 1 40 PRO HD3 3.000 . 4.200 2.151 1.842 2.271 . 0 0 "[ . 1]" 1
16 1 90 LEU QD 1 90 LEU HG 2.200 . 2.700 1.893 1.889 1.896 . 0 0 "[ . 1]" 1
17 1 91 VAL HA 1 119 MET HA 2.600 . 3.500 2.535 2.307 2.855 . 0 0 "[ . 1]" 1
18 1 89 LEU HA 1 121 TYR HA 2.900 . 3.800 2.437 2.279 2.658 . 0 0 "[ . 1]" 1
19 1 21 LEU QD 1 24 ARG QB 2.800 . 3.800 2.972 2.665 3.255 . 0 0 "[ . 1]" 1
20 1 21 LEU QD 1 114 ASP QB 2.800 . 3.600 1.992 1.866 2.200 0.134 3 0 "[ . 1]" 1
21 1 21 LEU QD 1 114 ASP HA 2.600 . 3.500 2.870 2.188 3.198 . 0 0 "[ . 1]" 1
22 1 21 LEU HA 1 21 LEU QD 2.400 . 3.100 2.195 2.135 2.233 . 0 0 "[ . 1]" 1
23 1 52 LEU QD 1 53 PRO HD2 2.900 . 3.900 2.458 1.843 3.431 0.057 10 0 "[ . 1]" 1
24 1 42 VAL MG2 1 58 THR MG 3.300 . 4.100 3.909 3.701 4.073 . 0 0 "[ . 1]" 1
25 1 107 TYR HA 1 117 VAL MG2 2.600 . 3.400 2.269 1.945 3.101 . 0 0 "[ . 1]" 1
26 1 28 VAL QG 1 115 GLY HA3 3.100 . 3.300 2.018 1.897 2.229 0.003 4 0 "[ . 1]" 1
27 1 28 VAL QG 1 116 PHE HA 3.600 . 5.200 3.008 2.654 3.379 . 0 0 "[ . 1]" 1
28 1 46 TYR QD 1 120 THR MG 2.500 . 3.300 1.823 1.728 1.961 0.072 5 0 "[ . 1]" 1
29 1 101 ALA HA 1 101 ALA MB 2.000 . 2.500 2.128 2.122 2.131 . 0 0 "[ . 1]" 1
30 1 86 ALA HA 1 86 ALA MB 1.900 . 2.400 2.128 2.124 2.134 . 0 0 "[ . 1]" 1
31 1 43 VAL MG1 1 121 TYR QD 2.500 . 3.000 2.466 2.109 3.096 0.096 10 0 "[ . 1]" 1
32 1 62 VAL HB 1 62 VAL QG 2.100 . 2.600 1.897 1.896 1.899 . 0 0 "[ . 1]" 1
33 1 61 LEU HA 1 62 VAL QG 2.200 . 6.000 3.315 3.238 3.364 . 0 0 "[ . 1]" 1
34 1 62 VAL QG 1 103 MET HG3 3.000 . 3.300 2.478 1.894 3.162 0.006 3 0 "[ . 1]" 1
35 1 69 THR HA 1 69 THR MG 2.400 . 3.100 2.798 2.328 3.214 0.114 3 0 "[ . 1]" 1
36 1 69 THR MG 1 70 GLN HA 2.000 . 4.100 3.427 3.144 3.616 . 0 0 "[ . 1]" 1
37 1 91 VAL MG1 1 110 TYR QD 3.000 . 4.200 2.778 2.076 3.557 . 0 0 "[ . 1]" 1
38 1 50 THR HA 1 50 THR MG 2.100 . 2.700 2.274 2.186 2.415 . 0 0 "[ . 1]" 1
39 1 43 VAL HB 1 43 VAL MG2 2.300 . 2.900 2.129 2.126 2.133 . 0 0 "[ . 1]" 1
40 1 28 VAL QG 1 116 PHE QE 3.100 . 4.300 2.882 2.177 3.277 . 0 0 "[ . 1]" 1
41 1 91 VAL MG2 1 119 MET HA 3.200 . 4.500 3.751 2.959 4.558 0.058 8 0 "[ . 1]" 1
42 1 91 VAL MG2 1 119 MET HG2 2.900 . 3.900 2.423 1.939 3.608 . 0 0 "[ . 1]" 1
43 1 91 VAL MG2 1 119 MET HG3 3.100 . 4.300 3.596 2.487 4.420 0.120 8 0 "[ . 1]" 1
44 1 42 VAL MG1 1 59 LYS HA 2.900 . 4.000 3.286 3.148 3.462 . 0 0 "[ . 1]" 1
45 1 80 VAL HB 1 80 VAL MG2 2.000 . 2.500 2.129 2.127 2.130 . 0 0 "[ . 1]" 1
46 1 12 VAL HA 1 12 VAL MG1 2.200 . 2.800 2.356 2.321 2.412 . 0 0 "[ . 1]" 1
47 1 42 VAL MG2 1 58 THR MG 3.200 . 4.500 3.389 3.228 3.746 . 0 0 "[ . 1]" 1
48 1 98 SER HB2 1 101 ALA MB 3.100 . 4.300 2.876 1.914 3.655 . 0 0 "[ . 1]" 1
49 1 101 ALA MB 1 106 ILE MD 2.200 . 2.800 2.126 2.031 2.328 . 0 0 "[ . 1]" 1
50 1 86 ALA MB 1 87 PHE HA 3.100 . 4.300 3.988 3.833 4.197 . 0 0 "[ . 1]" 1
51 1 98 SER HB3 1 101 ALA MB 3.000 . 4.100 2.385 1.874 3.938 0.026 4 0 "[ . 1]" 1
52 1 29 ALA HA 1 33 ALA MB 1.900 . 6.000 4.309 4.122 4.570 . 0 0 "[ . 1]" 1
53 1 31 ILE MG 1 35 PHE QD 2.500 . 3.000 2.618 2.074 2.965 . 0 0 "[ . 1]" 1
54 1 31 ILE MG 1 40 PRO HA 3.400 . 4.800 3.659 3.277 4.064 . 0 0 "[ . 1]" 1
55 1 31 ILE HB 1 31 ILE MG 2.100 . 2.700 2.130 2.129 2.131 . 0 0 "[ . 1]" 1
56 1 75 ILE MG 1 87 PHE QD 3.100 . 4.300 3.912 3.729 4.209 . 0 0 "[ . 1]" 1
57 1 75 ILE MG 1 87 PHE QE 3.000 . 4.100 2.204 2.021 2.411 . 0 0 "[ . 1]" 1
58 1 75 ILE MG 1 79 MET ME 2.800 . 3.300 2.431 2.018 2.973 . 0 0 "[ . 1]" 1
59 1 23 ILE HG13 1 23 ILE MG 2.200 . 2.800 2.787 2.333 3.206 0.406 6 0 "[ . 1]" 1
60 1 79 MET ME 1 87 PHE QD 2.900 . 3.800 3.161 2.705 3.630 . 0 0 "[ . 1]" 1
61 1 79 MET ME 1 87 PHE QE 2.600 . 3.500 2.943 2.576 3.214 . 0 0 "[ . 1]" 1
62 1 79 MET ME 1 121 TYR QR 2.700 . 3.600 2.751 1.982 3.475 . 0 0 "[ . 1]" 1
63 1 74 ILE HB 1 74 ILE MG 2.300 . 3.000 2.129 2.127 2.132 . 0 0 "[ . 1]" 1
64 1 71 PHE QD 1 74 ILE MG 2.700 . 3.600 3.426 2.971 3.715 0.115 10 0 "[ . 1]" 1
65 1 39 ILE MG 1 40 PRO HD3 3.200 . 4.500 3.468 3.161 3.609 . 0 0 "[ . 1]" 1
66 1 74 ILE MG 1 75 ILE HA 3.300 . 3.800 3.347 3.237 3.453 . 0 0 "[ . 1]" 1
67 1 39 ILE MG 1 107 TYR QD 2.700 . 3.400 2.738 2.239 2.933 . 0 0 "[ . 1]" 1
68 1 39 ILE MG 1 107 TYR HB3 2.700 . 3.600 3.275 3.019 3.411 . 0 0 "[ . 1]" 1
69 1 68 MET HA 1 103 MET ME . . 2.500 2.158 1.886 2.533 0.033 10 0 "[ . 1]" 1
70 1 71 PHE HA 1 74 ILE MD 2.700 . 3.600 2.243 2.068 2.442 . 0 0 "[ . 1]" 1
71 1 71 PHE QD 1 74 ILE MD 2.700 . 3.600 2.308 2.054 2.764 . 0 0 "[ . 1]" 1
72 1 28 VAL HA 1 31 ILE MD 2.700 . 3.600 2.447 2.326 2.643 . 0 0 "[ . 1]" 1
73 1 31 ILE MD 1 40 PRO HB2 2.700 . 3.600 3.096 2.931 3.638 0.038 5 0 "[ . 1]" 1
74 1 27 GLU HB2 1 31 ILE MD 3.100 . 4.300 4.238 3.762 4.631 0.331 9 0 "[ . 1]" 1
75 1 31 ILE MD 1 40 PRO HA 3.400 . 4.800 3.859 3.359 4.243 . 0 0 "[ . 1]" 1
76 1 112 ASP HB3 1 118 TYR QR 3.500 . 5.000 2.369 2.191 2.596 . 0 0 "[ . 1]" 1
77 1 43 VAL QG 1 75 ILE MD 2.200 . 2.800 2.126 1.853 2.322 . 0 0 "[ . 1]" 1
78 1 71 PHE QR 1 75 ILE MD 3.000 . 4.100 2.344 2.118 2.636 . 0 0 "[ . 1]" 1
79 1 43 VAL HB 1 75 ILE MD 3.100 . 4.300 4.106 3.474 4.389 0.089 2 0 "[ . 1]" 1
80 1 69 THR HA 1 72 LEU HB2 . . 3.300 3.138 2.443 4.004 0.704 9 2 "[ .- +1]" 1
81 1 68 MET QG 1 106 ILE MD 3.200 . 4.500 3.087 2.348 4.016 . 0 0 "[ . 1]" 1
82 1 106 ILE HB 1 106 ILE MD 2.700 . 3.600 3.239 3.235 3.242 . 0 0 "[ . 1]" 1
83 1 101 ALA MB 1 106 ILE MD 2.300 . 3.000 2.211 2.103 2.378 . 0 0 "[ . 1]" 1
84 1 39 ILE MD 1 107 TYR QD 2.800 . 3.800 3.142 2.792 3.603 . 0 0 "[ . 1]" 1
85 1 39 ILE MD 1 107 TYR HB3 2.600 . 3.400 2.448 2.290 2.678 . 0 0 "[ . 1]" 1
86 1 39 ILE MD 1 103 MET QB 2.700 . 3.600 2.217 1.986 2.555 . 0 0 "[ . 1]" 1
87 1 39 ILE MD 1 104 ALA MB 2.400 . 3.100 3.085 2.736 3.204 0.104 9 0 "[ . 1]" 1
88 1 39 ILE MD 1 39 ILE HG12 2.400 . 3.100 2.115 2.113 2.116 . 0 0 "[ . 1]" 1
89 1 69 THR HB 1 69 THR MG 2.000 . 2.500 2.130 2.127 2.134 . 0 0 "[ . 1]" 1
90 1 28 VAL HA 1 31 ILE HB 3.000 . 4.100 2.513 2.360 2.744 . 0 0 "[ . 1]" 1
91 1 39 ILE HB 1 39 ILE HG12 3.300 . 4.700 2.359 1.960 2.747 . 0 0 "[ . 1]" 1
92 1 23 ILE HB 1 23 ILE HG13 2.700 . 3.600 2.460 2.436 2.485 . 0 0 "[ . 1]" 1
93 1 72 LEU HA 1 75 ILE HB 3.700 . 5.400 2.852 2.608 3.077 . 0 0 "[ . 1]" 1
94 1 28 VAL HA 1 28 VAL HB 3.000 . 4.100 2.337 2.230 2.451 . 0 0 "[ . 1]" 1
95 1 31 ILE HA 1 34 LYS HB2 3.000 . 4.100 3.610 2.953 4.558 0.458 2 0 "[ . 1]" 1
96 1 31 ILE HA 1 35 PHE QD 3.000 . 3.600 2.897 2.663 3.241 . 0 0 "[ . 1]" 1
97 1 41 VAL QG 1 117 VAL HB 3.100 . 4.300 2.559 1.887 4.318 0.018 5 0 "[ . 1]" 1
98 1 34 LYS HB2 1 35 PHE QR 3.200 . 4.500 3.479 2.532 4.443 . 0 0 "[ . 1]" 1
99 1 53 PRO HA 1 53 PRO HD2 3.400 . 4.900 4.017 3.905 4.107 . 0 0 "[ . 1]" 1
100 1 107 TYR HA 1 111 LYS QB 3.000 . 4.100 3.440 3.071 3.808 . 0 0 "[ . 1]" 1
101 1 107 TYR HA 1 117 VAL QG 2.500 . 3.300 2.217 1.931 2.929 . 0 0 "[ . 1]" 1
102 1 53 PRO HA 1 54 PRO HB3 3.100 . 6.000 5.402 5.003 5.599 . 0 0 "[ . 1]" 1
103 1 31 ILE MG 1 40 PRO HA 2.900 . 4.000 3.229 3.094 3.436 . 0 0 "[ . 1]" 1
104 1 40 PRO HA 1 116 PHE QR 3.200 . 4.500 3.891 3.669 4.076 . 0 0 "[ . 1]" 1
105 1 66 LEU QD 1 71 PHE HA 2.600 . 3.500 2.024 1.974 2.115 . 0 0 "[ . 1]" 1
106 1 76 ARG HA 1 79 MET ME 2.700 . 3.600 2.645 1.883 3.414 0.017 8 0 "[ . 1]" 1
107 1 24 ARG HA 1 27 GLU HB2 3.200 . 4.500 2.960 2.468 4.084 . 0 0 "[ . 1]" 1
108 1 23 ILE HA 1 26 GLU HB3 3.000 . 4.100 3.581 2.562 4.176 0.076 7 0 "[ . 1]" 1
109 1 27 GLU HA 1 27 GLU HB2 3.000 . 4.200 2.721 2.459 3.025 . 0 0 "[ . 1]" 1
110 1 27 GLU HB2 1 116 PHE QE 3.500 . 4.100 3.523 2.374 4.766 0.666 1 1 "[+ . 1]" 1
111 1 38 LYS HA 1 38 LYS HD3 3.200 . 4.500 3.632 2.187 4.763 0.263 9 0 "[ . 1]" 1
112 1 26 GLU HA 1 29 ALA MB 2.300 . 2.900 2.303 2.017 2.479 . 0 0 "[ . 1]" 1
113 1 21 LEU HA 1 22 ALA MB 3.200 . 6.000 4.995 4.984 5.012 . 0 0 "[ . 1]" 1
114 1 42 VAL MG2 1 118 TYR HA 3.200 . 4.500 3.936 3.697 4.077 . 0 0 "[ . 1]" 1
115 1 42 VAL HB 1 118 TYR HA . . 2.700 2.571 2.427 2.687 . 0 0 "[ . 1]" 1
116 1 52 LEU HG 1 123 SER HA 3.200 . 4.500 4.236 3.662 4.628 0.128 5 0 "[ . 1]" 1
117 1 101 ALA MB 1 106 ILE HG12 3.400 . 4.900 2.791 2.491 3.308 . 0 0 "[ . 1]" 1
118 1 21 LEU HA 1 24 ARG HG2 4.000 . 6.000 4.117 3.030 4.672 . 0 0 "[ . 1]" 1
119 1 39 ILE MG 1 107 TYR HA 3.200 . 4.500 3.727 3.547 3.944 . 0 0 "[ . 1]" 1
120 1 106 ILE HA 1 110 TYR QE 2.900 . 3.300 2.890 2.500 3.125 . 0 0 "[ . 1]" 1
121 1 106 ILE HA 1 110 TYR QD 2.600 . 3.500 2.072 1.923 2.209 . 0 0 "[ . 1]" 1
122 1 69 THR HA 1 69 THR HB 2.300 . 3.000 2.720 2.410 3.023 0.023 6 0 "[ . 1]" 1
123 1 5 PRO HA 1 6 PRO HD2 1.900 . 2.300 2.269 1.996 2.492 0.192 7 0 "[ . 1]" 1
124 1 5 PRO HA 1 6 PRO HD3 2.000 . 2.500 2.170 1.943 2.480 . 0 0 "[ . 1]" 1
125 1 86 ALA HA 1 87 PHE HA 3.300 . 4.700 4.433 4.373 4.540 . 0 0 "[ . 1]" 1
126 1 101 ALA HA 1 105 GLU QB 3.700 . 5.400 3.873 3.586 4.113 . 0 0 "[ . 1]" 1
127 1 23 ILE HA 1 23 ILE HB 2.900 . 4.000 3.021 3.016 3.024 . 0 0 "[ . 1]" 1
128 1 26 GLU HB3 1 29 ALA MB 3.000 . 4.100 4.281 4.152 4.752 0.652 6 1 "[ .+ 1]" 1
129 1 28 VAL HB 1 29 ALA MB 2.800 . 6.000 4.621 3.986 5.114 . 0 0 "[ . 1]" 1
130 1 64 GLN HA 1 104 ALA MB 2.600 . 3.400 3.108 2.399 3.484 0.084 2 0 "[ . 1]" 1
131 1 104 ALA HA 1 104 ALA MB 2.100 . 2.700 2.128 2.126 2.132 . 0 0 "[ . 1]" 1
132 1 121 TYR HA 1 122 ALA MB 3.200 . 4.500 3.878 3.813 3.960 . 0 0 "[ . 1]" 1
133 1 54 PRO HB2 1 54 PRO HG3 2.500 . 3.300 2.926 2.666 2.995 . 0 0 "[ . 1]" 1
134 1 83 ALA MB 1 84 THR HA 2.700 . 6.000 4.204 4.058 4.322 . 0 0 "[ . 1]" 1
135 1 5 PRO HA 1 6 PRO HG2 2.100 . 6.000 4.330 4.196 4.401 . 0 0 "[ . 1]" 1
136 1 40 PRO HA 1 61 LEU HA 2.800 . 3.800 2.922 2.259 3.299 . 0 0 "[ . 1]" 1
137 1 55 LEU QD 1 75 ILE HA 3.100 . 4.300 2.605 1.944 2.798 . 0 0 "[ . 1]" 1
138 1 68 MET ME 1 89 LEU HA 3.700 . 5.400 5.067 4.799 5.441 0.041 10 0 "[ . 1]" 1
139 1 68 MET QG 1 106 ILE QG 3.700 . 5.400 2.920 2.367 4.278 . 0 0 "[ . 1]" 1
140 1 39 ILE MD 1 39 ILE MG 2.300 . 2.900 1.989 1.941 2.029 . 0 0 "[ . 1]" 1
141 1 53 PRO HA 1 54 PRO HD2 2.800 . 3.800 2.517 2.184 2.860 . 0 0 "[ . 1]" 1
142 1 106 ILE HA 1 106 ILE HB 3.000 . 4.100 3.019 3.013 3.024 . 0 0 "[ . 1]" 1
143 1 27 GLU HG3 1 116 PHE QE 3.600 . 5.200 4.403 3.548 5.228 0.028 1 0 "[ . 1]" 1
144 1 69 THR MG 1 70 GLN QG 2.700 . 3.600 2.885 2.275 3.437 . 0 0 "[ . 1]" 1
145 1 46 TYR HB3 1 120 THR MG 3.300 . 4.600 4.046 3.627 4.662 0.062 6 0 "[ . 1]" 1
146 1 46 TYR HB2 1 120 THR MG 2.600 . 3.400 2.821 2.166 3.508 0.108 3 0 "[ . 1]" 1
147 1 91 VAL HB 1 95 SER HB2 3.400 . 4.800 3.201 1.859 4.351 0.141 2 0 "[ . 1]" 1
148 1 41 VAL QG 1 60 PHE HB2 2.800 . 3.800 2.313 1.892 3.998 0.198 10 0 "[ . 1]" 1
149 1 43 VAL MG1 1 75 ILE MD 2.300 . 2.800 2.349 2.048 2.538 . 0 0 "[ . 1]" 1
150 1 12 VAL HB 1 12 VAL MG1 1.900 . 2.300 2.128 2.126 2.131 . 0 0 "[ . 1]" 1
151 1 98 SER HA 1 101 ALA MB 3.000 . 4.200 3.842 3.241 4.031 . 0 0 "[ . 1]" 1
152 1 68 MET QG 1 101 ALA MB 3.900 . 5.800 2.792 2.086 3.953 . 0 0 "[ . 1]" 1
153 1 32 ARG HB2 1 33 ALA MB 2.500 . 6.000 4.863 4.002 5.436 . 0 0 "[ . 1]" 1
154 1 104 ALA MB 1 105 GLU QG 2.600 . 3.500 2.865 2.747 2.983 . 0 0 "[ . 1]" 1
155 1 55 LEU QD 1 121 TYR QD 3.200 . 4.500 3.586 3.303 3.802 . 0 0 "[ . 1]" 1
156 1 46 TYR QE 1 120 THR MG 3.000 . 4.100 3.051 2.973 3.071 . 0 0 "[ . 1]" 1
157 1 52 LEU QD 1 123 SER HA 3.500 . 5.100 2.749 1.918 3.818 0.082 9 0 "[ . 1]" 1
158 1 68 MET QG 1 103 MET ME 2.800 . 3.800 2.838 2.110 3.584 . 0 0 "[ . 1]" 1
159 1 31 ILE MD 1 40 PRO HB3 2.700 . 3.600 2.125 1.961 2.376 . 0 0 "[ . 1]" 1
160 1 106 ILE MG 1 110 TYR QD 2.600 . 3.400 2.389 2.127 2.708 . 0 0 "[ . 1]" 1
161 1 103 MET HA 1 106 ILE MG 3.400 . 4.900 3.626 3.447 3.957 . 0 0 "[ . 1]" 1
162 1 109 ASP HA 1 111 LYS H 3.700 . 5.400 4.238 4.081 4.386 . 0 0 "[ . 1]" 1
163 1 67 THR HB 1 102 THR HA 3.400 . 4.900 3.872 3.609 4.163 . 0 0 "[ . 1]" 1
164 1 67 THR HB 1 69 THR HB 3.700 . 5.400 4.055 3.303 4.808 . 0 0 "[ . 1]" 1
165 1 53 PRO HB2 1 53 PRO HD2 3.100 . 4.300 3.615 2.951 4.061 . 0 0 "[ . 1]" 1
166 1 120 THR HA 1 121 TYR QD 3.600 . 5.200 3.427 3.049 4.338 . 0 0 "[ . 1]" 1
167 1 87 PHE QD 1 121 TYR HA 3.600 . 5.200 4.006 3.501 4.513 . 0 0 "[ . 1]" 1
168 1 72 LEU HA 1 75 ILE MD 4.000 . 6.000 3.319 2.346 4.482 . 0 0 "[ . 1]" 1
169 1 106 ILE MG 1 110 TYR QE 3.400 . 4.800 3.658 3.118 4.141 . 0 0 "[ . 1]" 1
170 1 67 THR MG 1 70 GLN HB2 3.500 . 5.000 4.284 4.099 4.563 . 0 0 "[ . 1]" 1
171 1 39 ILE MG 1 117 VAL MG1 3.300 . 4.600 3.734 2.387 4.287 . 0 0 "[ . 1]" 1
172 1 58 THR HA 1 58 THR MG 2.500 . 3.300 2.490 2.257 3.219 . 0 0 "[ . 1]" 1
173 1 107 TYR HA 1 108 ARG H 3.700 . 4.800 3.535 3.499 3.554 . 0 0 "[ . 1]" 1
174 1 46 TYR HA 1 120 THR MG 2.900 . 3.300 2.303 1.993 3.024 . 0 0 "[ . 1]" 1
175 1 87 PHE HA 1 88 TYR QD 3.300 . 4.700 3.550 3.044 4.010 . 0 0 "[ . 1]" 1
176 1 28 VAL HA 1 29 ALA HA 3.900 . 5.800 4.837 4.813 4.885 . 0 0 "[ . 1]" 1
177 1 33 ALA HA 1 34 LYS HA 3.000 . 6.000 4.660 4.600 4.711 . 0 0 "[ . 1]" 1
178 1 83 ALA HA 1 83 ALA MB 2.000 . 2.500 2.128 2.118 2.136 . 0 0 "[ . 1]" 1
179 1 64 GLN HA 1 104 ALA HA 3.700 . 5.400 3.722 3.071 4.161 . 0 0 "[ . 1]" 1
180 1 104 ALA HA 1 107 TYR QD 3.700 . 5.400 4.131 3.913 4.338 . 0 0 "[ . 1]" 1
181 1 46 TYR QD 1 122 ALA MB 2.900 . 3.900 2.789 2.141 3.375 . 0 0 "[ . 1]" 1
182 1 46 TYR QE 1 122 ALA MB 3.000 . 4.100 3.887 3.671 4.310 0.210 9 0 "[ . 1]" 1
183 1 74 ILE HA 1 74 ILE MG 2.600 . 3.400 2.444 2.402 2.496 . 0 0 "[ . 1]" 1
184 1 62 VAL HB 1 63 PRO HD3 3.700 . 5.400 3.606 3.057 3.787 . 0 0 "[ . 1]" 1
185 1 55 LEU QD 1 79 MET HG3 2.600 . 3.500 2.959 2.269 3.924 0.424 4 0 "[ . 1]" 1
186 1 107 TYR QD 1 111 LYS HA 3.700 . 5.400 3.587 3.122 4.439 . 0 0 "[ . 1]" 1
187 1 21 LEU HA 1 22 ALA HA 3.400 . 4.800 4.810 4.766 4.834 0.034 8 0 "[ . 1]" 1
188 1 21 LEU HA 1 24 ARG HB3 3.100 . 4.300 4.129 2.911 4.428 0.128 1 0 "[ . 1]" 1
189 1 53 PRO HA 1 54 PRO HG3 3.800 . 5.600 4.237 4.016 4.651 . 0 0 "[ . 1]" 1
190 1 73 SER HA 1 76 ARG HB2 3.600 . 5.200 3.436 2.362 3.942 . 0 0 "[ . 1]" 1
191 1 80 VAL HA 1 81 LEU HA 3.800 . 5.600 4.543 4.483 4.662 . 0 0 "[ . 1]" 1
192 1 68 MET ME 1 89 LEU HB3 3.300 . 4.600 3.064 2.785 3.420 . 0 0 "[ . 1]" 1
193 1 66 LEU QD 1 71 PHE QD 3.200 . 3.600 2.532 2.024 3.097 . 0 0 "[ . 1]" 1
194 1 55 LEU HG 1 75 ILE MG 3.500 . 5.000 3.892 3.600 4.034 . 0 0 "[ . 1]" 1
195 1 72 LEU HA 1 75 ILE MG 3.600 . 5.200 4.152 3.929 4.343 . 0 0 "[ . 1]" 1
196 1 71 PHE QD 1 74 ILE HB . . 3.600 3.071 2.475 3.468 . 0 0 "[ . 1]" 1
197 1 75 ILE MG 1 76 ARG HA 3.500 . 5.000 3.358 3.261 3.453 . 0 0 "[ . 1]" 1
198 1 74 ILE HG13 1 74 ILE MG 3.000 . 4.100 3.206 3.204 3.208 . 0 0 "[ . 1]" 1
199 1 39 ILE HB 1 62 VAL QG 3.800 . 5.600 2.505 1.985 3.148 0.015 9 0 "[ . 1]" 1
200 1 106 ILE HA 1 110 TYR HB3 3.700 . 5.400 5.528 5.238 5.784 0.384 1 0 "[ . 1]" 1
201 1 20 SER HB3 1 23 ILE HB 3.900 . 5.800 3.865 3.789 3.939 . 0 0 "[ . 1]" 1
202 1 12 VAL HB 1 12 VAL MG2 2.000 . 2.500 2.130 2.128 2.131 . 0 0 "[ . 1]" 1
203 1 28 VAL HA 1 116 PHE QE 3.800 . 5.600 3.805 3.465 4.128 . 0 0 "[ . 1]" 1
204 1 41 VAL HA 1 116 PHE QD 3.600 . 5.200 4.001 3.427 4.215 . 0 0 "[ . 1]" 1
205 1 23 ILE MG 1 24 ARG HA 3.500 . 5.100 3.490 3.253 3.682 . 0 0 "[ . 1]" 1
206 1 23 ILE HB 1 24 ARG HA 3.400 . 4.900 4.384 4.229 4.521 . 0 0 "[ . 1]" 1
207 1 38 LYS HA 1 38 LYS HG2 2.900 . 4.000 3.100 2.420 3.669 . 0 0 "[ . 1]" 1
208 1 38 LYS HA 1 63 PRO HA 3.200 . 4.000 2.405 2.007 3.035 . 0 0 "[ . 1]" 1
209 1 36 PRO HA 1 36 PRO HB3 2.900 . 4.000 2.278 2.250 2.291 . 0 0 "[ . 1]" 1
210 1 36 PRO HA 1 36 PRO HB2 2.100 . 2.700 2.740 2.703 2.905 0.205 2 0 "[ . 1]" 1
211 1 103 MET HA 1 106 ILE HB 2.700 . 3.600 2.241 1.995 2.616 . 0 0 "[ . 1]" 1
212 1 85 GLU HA 1 86 ALA MB 2.600 . 6.000 4.081 3.877 4.303 . 0 0 "[ . 1]" 1
213 1 54 PRO HA 1 54 PRO HD2 3.200 . 4.500 3.963 3.919 4.098 . 0 0 "[ . 1]" 1
214 1 54 PRO HA 1 54 PRO HB3 2.700 . 3.600 2.293 2.274 2.308 . 0 0 "[ . 1]" 1
215 1 54 PRO HA 1 54 PRO HG2 3.400 . 4.800 3.938 3.861 4.026 . 0 0 "[ . 1]" 1
216 1 54 PRO HA 1 54 PRO HG3 3.600 . 5.200 3.241 2.957 4.029 . 0 0 "[ . 1]" 1
217 1 42 VAL HA 1 58 THR MG 3.300 . 4.700 3.754 3.342 4.494 . 0 0 "[ . 1]" 1
218 1 42 VAL MG1 1 58 THR MG 2.500 . 3.300 2.230 1.895 3.055 . 0 0 "[ . 1]" 1
219 1 74 ILE HA 1 77 SER HB3 3.600 . 5.200 3.371 2.389 4.388 . 0 0 "[ . 1]" 1
220 1 27 GLU HA 1 29 ALA MB 3.900 . 5.800 4.748 4.477 4.867 . 0 0 "[ . 1]" 1
221 1 27 GLU HA 1 31 ILE MD 3.600 . 5.200 4.093 3.904 4.256 . 0 0 "[ . 1]" 1
222 1 64 GLN HA 1 64 GLN HB3 2.800 . 3.800 2.491 2.330 3.018 . 0 0 "[ . 1]" 1
223 1 64 GLN HA 1 64 GLN HG2 3.500 . 5.000 3.232 2.498 3.821 . 0 0 "[ . 1]" 1
224 1 55 LEU HA 1 79 MET HA 2.900 . 4.000 2.824 2.144 3.522 . 0 0 "[ . 1]" 1
225 1 52 LEU QD 1 87 PHE HA 2.900 . 4.000 3.779 2.997 4.004 0.004 8 0 "[ . 1]" 1
226 1 53 PRO HB2 1 53 PRO HD3 3.100 . 4.300 3.906 3.849 3.968 . 0 0 "[ . 1]" 1
227 1 53 PRO HB3 1 53 PRO HD2 3.300 . 4.700 3.880 3.824 3.935 . 0 0 "[ . 1]" 1
228 1 47 PRO HA 1 47 PRO HB3 3.000 . 3.400 2.282 2.262 2.303 . 0 0 "[ . 1]" 1
229 1 63 PRO HA 1 63 PRO HD3 3.100 . 4.100 3.682 3.475 3.804 . 0 0 "[ . 1]" 1
230 1 71 PHE QE 1 89 LEU QD 3.300 . 4.700 2.832 1.999 4.457 . 0 0 "[ . 1]" 1
231 1 62 VAL MG1 1 62 VAL MG2 2.100 . 2.600 2.084 2.082 2.087 . 0 0 "[ . 1]" 1
232 1 42 VAL MG2 1 118 TYR QE 3.500 . 4.200 3.033 2.847 3.222 . 0 0 "[ . 1]" 1
233 1 68 MET HA 1 71 PHE HB3 3.000 . 4.100 2.463 2.193 2.948 . 0 0 "[ . 1]" 1
234 1 29 ALA MB 1 30 GLY HA3 3.100 . 4.300 4.109 4.071 4.143 . 0 0 "[ . 1]" 1
235 1 34 LYS HA 1 36 PRO HD2 3.700 . 5.400 5.085 4.737 5.616 0.216 2 0 "[ . 1]" 1
236 1 74 ILE HB 1 75 ILE HA 3.500 . 5.100 4.331 4.219 4.435 . 0 0 "[ . 1]" 1
237 1 64 GLN HG2 1 104 ALA MB 3.700 . 5.400 3.780 1.942 4.842 0.058 2 0 "[ . 1]" 1
238 1 20 SER HA 1 23 ILE HB 3.700 . 5.400 4.515 4.344 4.708 . 0 0 "[ . 1]" 1
239 1 30 GLY HA3 1 33 ALA MB 2.700 . 3.600 3.560 3.491 3.628 0.028 8 0 "[ . 1]" 1
240 1 22 ALA HA 1 22 ALA MB 2.100 . 2.700 2.126 2.125 2.130 . 0 0 "[ . 1]" 1
241 1 22 ALA MB 1 23 ILE HA 3.200 . 4.400 3.822 3.779 3.883 . 0 0 "[ . 1]" 1
242 1 20 SER HB2 1 23 ILE HB 3.600 . 5.200 4.744 4.527 4.943 . 0 0 "[ . 1]" 1
243 1 38 LYS HB3 1 61 LEU HB2 3.300 . 4.700 4.091 2.391 4.817 0.117 7 0 "[ . 1]" 1
244 1 75 ILE HB 1 87 PHE QE 3.800 . 5.600 3.320 2.860 3.946 . 0 0 "[ . 1]" 1
245 1 42 VAL HB 1 118 TYR QD . . 3.800 2.783 2.585 3.102 . 0 0 "[ . 1]" 1
246 1 91 VAL HB 1 110 TYR QD 3.600 . 5.200 4.059 3.197 4.605 . 0 0 "[ . 1]" 1
247 1 66 LEU QD 1 71 PHE HB3 3.500 . 5.000 3.504 3.401 3.680 . 0 0 "[ . 1]" 1
248 1 31 ILE MG 1 40 PRO HB2 3.100 . 4.300 3.808 3.541 4.286 . 0 0 "[ . 1]" 1
249 1 30 GLY HA3 1 33 ALA MB 3.200 . 4.400 4.191 3.933 4.417 0.017 1 0 "[ . 1]" 1
250 1 62 VAL HA 1 63 PRO HD3 3.200 . 4.500 2.115 1.902 2.483 . 0 0 "[ . 1]" 1
251 1 42 VAL MG2 1 59 LYS HG2 3.600 . 5.200 2.506 1.904 4.683 0.096 8 0 "[ . 1]" 1
252 1 46 TYR HB2 1 122 ALA MB 3.100 . 4.300 2.138 1.891 2.596 0.009 4 0 "[ . 1]" 1
253 1 46 TYR HB3 1 122 ALA MB 3.100 . 4.300 2.324 1.935 2.982 . 0 0 "[ . 1]" 1
254 1 67 THR HA 1 102 THR HA 2.700 . 3.600 1.950 1.867 2.014 . 0 0 "[ . 1]" 1
255 1 86 ALA HA 1 87 PHE QD . . 4.100 3.133 2.675 3.410 . 0 0 "[ . 1]" 1
256 1 25 GLN HA 1 25 GLN HB2 2.400 . 3.100 2.775 2.491 3.028 . 0 0 "[ . 1]" 1
257 1 25 GLN HA 1 28 VAL QG 3.600 . 5.200 2.648 2.250 3.229 . 0 0 "[ . 1]" 1
258 1 55 LEU HA 1 55 LEU QD 2.500 . 3.300 2.028 1.919 2.140 . 0 0 "[ . 1]" 1
259 1 43 VAL MG1 1 75 ILE HG12 3.000 . 4.200 3.767 2.834 4.861 0.661 3 3 "[ +-. * 1]" 1
260 1 52 LEU HB3 1 53 PRO HD3 3.300 . 4.600 4.411 3.916 4.893 0.293 10 0 "[ . 1]" 1
261 1 52 LEU HA 1 53 PRO HD2 3.000 . 4.100 2.249 1.985 2.546 . 0 0 "[ . 1]" 1
262 1 52 LEU HA 1 53 PRO HD3 3.000 . 4.100 2.192 1.891 2.554 0.009 4 0 "[ . 1]" 1
263 1 27 GLU HB2 1 28 VAL QG 3.500 . 5.100 4.555 4.250 5.495 0.395 1 0 "[ . 1]" 1
264 1 25 GLN HA 1 28 VAL HB 3.400 . 4.800 3.400 2.750 4.057 . 0 0 "[ . 1]" 1
265 1 39 ILE MG 1 103 MET HB2 4.000 . 6.000 3.563 3.289 3.782 . 0 0 "[ . 1]" 1
266 1 88 TYR QE 1 124 GLN HA 2.700 . 3.300 2.757 2.181 3.374 0.074 8 0 "[ . 1]" 1
267 1 53 PRO HB3 1 53 PRO HG2 2.800 . 3.800 2.866 2.647 3.002 . 0 0 "[ . 1]" 1
268 1 21 LEU HA 1 24 ARG HB2 5.900 . 10.300 2.784 2.641 2.967 . 0 0 "[ . 1]" 1
269 1 67 THR MG 1 70 GLN QG 3.100 . 4.300 3.687 3.457 3.970 . 0 0 "[ . 1]" 1
270 1 55 LEU QD 1 79 MET HA 2.500 . 2.900 1.929 1.821 2.057 . 0 0 "[ . 1]" 1
271 1 68 MET ME 1 89 LEU QD 1.800 . 2.200 2.066 1.820 2.295 0.095 4 0 "[ . 1]" 1
272 1 89 LEU QD 1 121 TYR HA 3.500 . 5.000 2.998 2.675 3.881 . 0 0 "[ . 1]" 1
273 1 22 ALA HA 1 25 GLN HB2 3.900 . 5.800 3.127 2.566 3.554 . 0 0 "[ . 1]" 1
274 1 62 VAL QG 1 71 PHE QR 2.700 . 3.600 2.013 1.811 2.288 . 0 0 "[ . 1]" 1
275 1 108 ARG HA 1 108 ARG HD2 3.300 . 4.700 4.039 2.053 4.941 0.241 6 0 "[ . 1]" 1
276 1 89 LEU QD 1 121 TYR HB2 2.700 . 3.600 3.084 2.842 3.339 . 0 0 "[ . 1]" 1
277 1 89 LEU QD 1 121 TYR HB3 2.600 . 3.500 2.138 1.796 3.403 . 0 0 "[ . 1]" 1
278 1 43 VAL MG1 1 75 ILE HG13 3.600 . 5.300 4.185 3.771 4.641 . 0 0 "[ . 1]" 1
279 1 83 ALA MB 1 85 GLU HB3 3.500 . 5.000 4.000 3.249 4.800 . 0 0 "[ . 1]" 1
280 1 68 MET ME 1 89 LEU HB3 2.200 . 2.800 2.626 1.766 2.866 0.066 2 0 "[ . 1]" 1
281 1 28 VAL QG 1 116 PHE QR 2.700 . 3.600 2.591 1.951 2.993 . 0 0 "[ . 1]" 1
282 1 23 ILE HA 1 26 GLU HB3 2.600 . 3.400 2.942 2.553 3.681 0.281 3 0 "[ . 1]" 1
283 1 91 VAL QG 1 119 MET HA 2.900 . 3.900 3.278 2.605 3.810 . 0 0 "[ . 1]" 1
284 1 126 THR HA 1 126 THR MG 2.000 . 2.500 2.300 2.250 2.360 . 0 0 "[ . 1]" 1
285 1 91 VAL MG1 1 92 ASN HB3 3.600 . 5.200 3.698 2.998 4.565 . 0 0 "[ . 1]" 1
286 1 31 ILE MG 1 40 PRO HB3 2.900 . 3.900 2.287 1.999 2.788 . 0 0 "[ . 1]" 1
287 1 106 ILE HA 1 106 ILE MD 2.600 . 3.400 1.996 1.949 2.042 . 0 0 "[ . 1]" 1
288 1 42 VAL MG1 1 118 TYR QR 2.600 . 3.500 2.320 2.115 2.444 . 0 0 "[ . 1]" 1
289 1 21 LEU HB3 1 22 ALA HA 4.300 . 6.600 4.403 4.366 4.457 . 0 0 "[ . 1]" 1
290 1 66 LEU QD 1 70 GLN HB2 3.100 . 4.300 2.148 1.967 2.381 . 0 0 "[ . 1]" 1
291 1 66 LEU QD 1 71 PHE HA 2.700 . 3.600 2.360 2.099 2.624 . 0 0 "[ . 1]" 1
292 1 66 LEU HB3 1 103 MET HG3 2.900 . 3.900 3.603 2.233 4.825 0.925 10 4 "[- ** +]" 1
293 1 101 ALA MB 1 106 ILE HA 3.400 . 4.800 4.421 4.115 4.862 0.062 4 0 "[ . 1]" 1
294 1 107 TYR HA 1 117 VAL MG1 3.300 . 4.700 3.365 3.039 3.599 . 0 0 "[ . 1]" 1
295 1 39 ILE HB 1 39 ILE MG 3.400 . 4.800 2.128 2.127 2.130 . 0 0 "[ . 1]" 1
296 1 35 PHE HB2 1 38 LYS HG2 3.600 . 5.200 4.444 3.622 5.595 0.395 8 0 "[ . 1]" 1
297 1 107 TYR HB3 1 117 VAL MG1 3.800 . 5.700 5.361 4.445 5.785 0.085 2 0 "[ . 1]" 1
298 1 80 VAL HA 1 80 VAL MG1 2.100 . 2.700 2.493 2.351 3.207 0.507 8 1 "[ . + 1]" 1
299 1 68 MET QG 1 101 ALA MB 2.800 . 3.800 2.641 2.081 3.412 . 0 0 "[ . 1]" 1
300 1 61 LEU HA 1 61 LEU QD 2.700 . 3.600 2.677 1.974 3.421 . 0 0 "[ . 1]" 1
301 1 112 ASP H 1 118 TYR QD 3.000 . 4.100 3.863 3.428 4.194 0.094 2 0 "[ . 1]" 1
302 1 66 LEU HB3 1 103 MET H 3.400 . 4.800 3.874 3.708 4.239 . 0 0 "[ . 1]" 1
303 1 35 PHE QD 1 38 LYS H 3.600 . 5.300 4.798 4.690 4.954 . 0 0 "[ . 1]" 1
304 1 109 ASP H 1 110 TYR QE 3.400 . 4.900 4.943 4.830 4.976 0.076 8 0 "[ . 1]" 1
305 1 46 TYR QE 1 49 GLU H 3.800 . 5.600 5.199 4.573 5.549 . 0 0 "[ . 1]" 1
306 1 49 GLU HG3 1 51 PHE H 3.700 . 5.500 3.065 1.981 4.897 . 0 0 "[ . 1]" 1
307 1 66 LEU H 1 103 MET H 3.900 . 5.800 4.094 3.540 4.374 . 0 0 "[ . 1]" 1
308 1 41 VAL H 1 116 PHE QD 3.500 . 5.000 4.611 4.052 4.924 . 0 0 "[ . 1]" 1
309 1 89 LEU HA 1 122 ALA H 3.700 . 5.400 3.795 3.403 4.134 . 0 0 "[ . 1]" 1
310 1 68 MET HB3 1 101 ALA H 4.000 . 6.000 4.867 3.245 5.852 . 0 0 "[ . 1]" 1
311 1 45 ARG QB 1 46 TYR H 3.600 . 5.200 3.039 2.648 3.759 . 0 0 "[ . 1]" 1
312 1 46 TYR H 1 122 ALA MB 3.200 . 4.500 3.592 3.287 3.930 . 0 0 "[ . 1]" 1
313 1 42 VAL H 1 118 TYR QD 3.400 . 4.800 4.740 4.612 4.858 0.058 7 0 "[ . 1]" 1
314 1 42 VAL H 1 119 MET H 3.500 . 5.000 3.730 3.623 3.862 . 0 0 "[ . 1]" 1
315 1 42 VAL H 1 118 TYR HA 3.000 . 4.100 2.963 2.777 3.148 . 0 0 "[ . 1]" 1
316 1 117 VAL HA 1 118 TYR H 3.000 . 4.100 2.162 2.110 2.264 . 0 0 "[ . 1]" 1
317 1 117 VAL QG 1 118 TYR H 2.900 . 4.000 2.893 2.350 3.015 . 0 0 "[ . 1]" 1
318 1 43 VAL H 1 60 PHE QD 3.700 . 5.400 3.488 2.886 4.096 . 0 0 "[ . 1]" 1
319 1 43 VAL H 1 58 THR MG 3.200 . 4.500 3.415 2.976 4.512 0.012 3 0 "[ . 1]" 1
320 1 86 ALA H 1 87 PHE H 3.200 . 4.500 4.386 3.524 4.558 0.058 1 0 "[ . 1]" 1
321 1 43 VAL H 1 43 VAL HA 2.900 . 4.000 2.937 2.925 2.952 . 0 0 "[ . 1]" 1
322 1 43 VAL H 1 58 THR HA 2.900 . 4.000 3.529 3.170 3.726 . 0 0 "[ . 1]" 1
323 1 92 ASN H 1 93 ASN H 2.900 . 3.900 2.685 2.610 2.761 . 0 0 "[ . 1]" 1
324 1 92 ASN H 1 119 MET HA 3.300 . 4.700 2.939 2.359 3.992 . 0 0 "[ . 1]" 1
325 1 91 VAL HA 1 92 ASN H 2.200 . 2.800 2.123 2.094 2.142 . 0 0 "[ . 1]" 1
326 1 40 PRO HB2 1 41 VAL H 3.300 . 4.600 3.941 3.796 4.149 . 0 0 "[ . 1]" 1
327 1 41 VAL H 1 62 VAL H 3.500 . 5.000 3.998 3.797 4.210 . 0 0 "[ . 1]" 1
328 1 40 PRO HA 1 41 VAL H 2.500 . 3.300 2.187 2.147 2.211 . 0 0 "[ . 1]" 1
329 1 112 ASP H 1 113 GLU H 3.400 . 4.800 4.497 4.427 4.547 . 0 0 "[ . 1]" 1
330 1 112 ASP HA 1 113 GLU H 2.100 . 2.700 2.688 2.604 2.753 0.053 9 0 "[ . 1]" 1
331 1 112 ASP HB2 1 113 GLU H 3.100 . 4.300 3.702 3.620 3.771 . 0 0 "[ . 1]" 1
332 1 111 LYS HA 1 112 ASP H 2.600 . 3.400 2.189 2.165 2.238 . 0 0 "[ . 1]" 1
333 1 111 LYS QB 1 112 ASP H 2.800 . 3.800 2.998 2.843 3.186 . 0 0 "[ . 1]" 1
334 1 101 ALA H 1 102 THR H 3.300 . 4.700 4.559 4.508 4.602 . 0 0 "[ . 1]" 1
335 1 99 MET H 1 101 ALA H 3.500 . 5.000 3.988 3.517 4.196 . 0 0 "[ . 1]" 1
336 1 100 SER H 1 101 ALA H 2.400 . 3.100 2.290 2.047 2.407 . 0 0 "[ . 1]" 1
337 1 98 SER QB 1 99 MET H 3.000 . 4.100 3.732 3.133 4.013 . 0 0 "[ . 1]" 1
338 1 51 PHE H 1 52 LEU H 3.200 . 4.500 2.598 2.100 3.210 . 0 0 "[ . 1]" 1
339 1 41 VAL H 1 60 PHE H 3.400 . 4.900 3.229 2.989 3.398 . 0 0 "[ . 1]" 1
340 1 59 LYS HA 1 60 PHE H 2.400 . 3.100 2.161 2.119 2.225 . 0 0 "[ . 1]" 1
341 1 42 VAL HA 1 60 PHE H 2.800 . 3.800 3.536 3.281 3.746 . 0 0 "[ . 1]" 1
342 1 59 LYS HB3 1 60 PHE H 2.900 . 3.900 3.464 3.144 4.014 0.114 5 0 "[ . 1]" 1
343 1 82 ARG HA 1 83 ALA H 2.200 . 2.800 2.166 2.106 2.435 . 0 0 "[ . 1]" 1
344 1 50 THR H 1 51 PHE H 2.900 . 4.000 2.230 1.781 3.693 0.019 8 0 "[ . 1]" 1
345 1 50 THR MG 1 51 PHE H 3.400 . 4.900 4.137 3.589 4.411 . 0 0 "[ . 1]" 1
346 1 31 ILE H 1 32 ARG H 2.800 . 3.800 2.785 2.734 2.815 . 0 0 "[ . 1]" 1
347 1 29 ALA H 1 31 ILE H 3.600 . 5.200 4.207 4.135 4.295 . 0 0 "[ . 1]" 1
348 1 28 VAL HA 1 31 ILE H 3.000 . 4.100 3.400 3.297 3.501 . 0 0 "[ . 1]" 1
349 1 29 ALA MB 1 31 ILE H 3.000 . 6.000 4.548 4.503 4.599 . 0 0 "[ . 1]" 1
350 1 21 LEU H 1 22 ALA MB 3.000 . 4.100 4.275 4.218 4.311 0.211 1 0 "[ . 1]" 1
351 1 20 SER HA 1 21 LEU H 2.400 . 3.100 2.538 2.425 2.655 . 0 0 "[ . 1]" 1
352 1 21 LEU H 1 21 LEU HB3 2.700 . 3.600 2.361 2.316 2.411 . 0 0 "[ . 1]" 1
353 1 74 ILE H 1 75 ILE H 2.800 . 3.800 2.691 2.632 2.798 . 0 0 "[ . 1]" 1
354 1 71 PHE HA 1 74 ILE H 3.200 . 4.500 3.069 2.897 3.151 . 0 0 "[ . 1]" 1
355 1 73 SER HA 1 74 ILE H 2.600 . 3.400 2.971 2.404 3.309 . 0 0 "[ . 1]" 1
356 1 74 ILE H 1 74 ILE HA 2.700 . 3.600 2.820 2.793 2.830 . 0 0 "[ . 1]" 1
357 1 74 ILE H 1 74 ILE HB 2.500 . 3.300 2.497 2.436 2.547 . 0 0 "[ . 1]" 1
358 1 90 LEU H 1 120 THR H 3.600 . 5.200 3.346 3.040 3.782 . 0 0 "[ . 1]" 1
359 1 88 TYR H 1 88 TYR HA 2.700 . 3.600 2.938 2.931 2.946 . 0 0 "[ . 1]" 1
360 1 87 PHE HB3 1 88 TYR H 2.800 . 3.800 4.005 3.928 4.088 0.288 10 0 "[ . 1]" 1
361 1 88 TYR H 1 122 ALA MB 4.000 . 6.000 4.023 3.834 4.869 . 0 0 "[ . 1]" 1
362 1 26 GLU H 1 27 GLU H 2.700 . 3.600 2.535 2.410 2.630 . 0 0 "[ . 1]" 1
363 1 27 GLU H 1 27 GLU HA 2.300 . 3.000 2.800 2.780 2.837 . 0 0 "[ . 1]" 1
364 1 68 MET HA 1 71 PHE H 2.700 . 3.600 3.310 3.010 3.602 0.002 5 0 "[ . 1]" 1
365 1 70 GLN HA 1 71 PHE H 3.300 . 4.700 3.492 3.453 3.515 . 0 0 "[ . 1]" 1
366 1 70 GLN HB2 1 71 PHE H 3.200 . 4.500 2.846 2.706 2.998 . 0 0 "[ . 1]" 1
367 1 71 PHE H 1 72 LEU HB2 3.200 . 4.400 4.692 4.474 4.904 0.504 9 2 "[ .- +1]" 1
368 1 23 ILE HA 1 24 ARG H 3.000 . 4.100 3.501 3.484 3.522 . 0 0 "[ . 1]" 1
369 1 23 ILE HG13 1 24 ARG H 2.800 . 6.000 4.791 4.344 5.211 . 0 0 "[ . 1]" 1
370 1 29 ALA H 1 30 GLY H 2.600 . 3.500 2.772 2.733 2.815 . 0 0 "[ . 1]" 1
371 1 28 VAL HA 1 29 ALA H 3.500 . 5.000 3.513 3.482 3.532 . 0 0 "[ . 1]" 1
372 1 28 VAL HB 1 29 ALA H 2.500 . 3.300 3.137 2.572 3.579 0.279 5 0 "[ . 1]" 1
373 1 29 ALA H 1 29 ALA MB 2.200 . 2.800 2.239 2.218 2.254 . 0 0 "[ . 1]" 1
374 1 28 VAL QG 1 29 ALA H 3.000 . 4.100 2.562 2.002 3.267 . 0 0 "[ . 1]" 1
375 1 54 PRO HB2 1 55 LEU H 2.900 . 4.000 3.321 2.878 3.838 . 0 0 "[ . 1]" 1
376 1 55 LEU H 1 56 ASP H 3.400 . 4.800 4.562 4.505 4.647 . 0 0 "[ . 1]" 1
377 1 54 PRO HA 1 55 LEU H 2.400 . 3.100 2.299 2.133 2.439 . 0 0 "[ . 1]" 1
378 1 84 THR H 1 85 GLU H 2.700 . 3.600 2.665 1.998 3.505 . 0 0 "[ . 1]" 1
379 1 84 THR HA 1 85 GLU H 2.400 . 3.100 2.916 2.554 3.260 0.160 5 0 "[ . 1]" 1
380 1 83 ALA MB 1 85 GLU H 3.000 . 4.100 3.256 2.392 4.168 0.068 9 0 "[ . 1]" 1
381 1 84 THR MG 1 85 GLU H 3.200 . 4.500 3.877 2.878 4.368 . 0 0 "[ . 1]" 1
382 1 61 LEU HB2 1 62 VAL H 3.800 . 5.600 4.246 3.431 4.504 . 0 0 "[ . 1]" 1
383 1 61 LEU HA 1 62 VAL H 2.400 . 3.100 2.138 2.104 2.168 . 0 0 "[ . 1]" 1
384 1 38 LYS HA 1 39 ILE H 2.700 . 3.600 2.219 2.115 2.320 . 0 0 "[ . 1]" 1
385 1 38 LYS HB3 1 39 ILE H 2.800 . 3.800 2.957 2.470 3.831 0.031 9 0 "[ . 1]" 1
386 1 39 ILE H 1 39 ILE HG12 2.900 . 4.000 3.012 2.793 3.210 . 0 0 "[ . 1]" 1
387 1 39 ILE H 1 62 VAL H 3.200 . 4.500 2.852 2.641 2.971 . 0 0 "[ . 1]" 1
388 1 81 LEU HA 1 82 ARG H 2.400 . 3.100 2.202 2.125 2.359 . 0 0 "[ . 1]" 1
389 1 82 ARG H 1 82 ARG HA 2.900 . 3.900 2.867 2.771 2.913 . 0 0 "[ . 1]" 1
390 1 82 ARG H 1 82 ARG HB3 2.400 . 3.100 2.732 2.416 3.640 0.540 6 2 "[ .+ -]" 1
391 1 82 ARG H 1 83 ALA H 3.500 . 5.000 4.488 4.402 4.585 . 0 0 "[ . 1]" 1
392 1 40 PRO HA 1 62 VAL H 3.800 . 5.600 4.058 3.648 4.374 . 0 0 "[ . 1]" 1
393 1 43 VAL HA 1 44 GLU H 2.700 . 3.600 2.122 2.100 2.166 . 0 0 "[ . 1]" 1
394 1 126 THR MG 1 127 PHE H 3.200 . 4.500 3.969 3.321 4.325 . 0 0 "[ . 1]" 1
395 1 126 THR HB 1 127 PHE H 3.100 . 4.300 4.043 2.131 4.420 0.120 8 0 "[ . 1]" 1
396 1 46 TYR HB2 1 49 GLU H 3.500 . 5.000 4.573 4.242 5.037 0.037 2 0 "[ . 1]" 1
397 1 46 TYR HB3 1 49 GLU H 3.500 . 5.000 2.878 2.529 3.339 . 0 0 "[ . 1]" 1
398 1 49 GLU H 1 49 GLU QB 2.800 . 3.800 2.301 2.217 2.511 . 0 0 "[ . 1]" 1
399 1 46 TYR QD 1 49 GLU H 3.500 . 5.000 3.148 2.355 3.789 . 0 0 "[ . 1]" 1
400 1 48 ARG H 1 49 GLU H 3.000 . 4.100 2.388 2.145 2.949 . 0 0 "[ . 1]" 1
401 1 48 ARG HA 1 49 GLU H 3.000 . 4.100 3.275 2.661 3.521 . 0 0 "[ . 1]" 1
402 1 63 PRO QB 1 66 LEU H 3.200 . 4.500 3.052 2.510 3.528 . 0 0 "[ . 1]" 1
403 1 66 LEU H 1 66 LEU HA 2.500 . 3.300 2.856 2.834 2.887 . 0 0 "[ . 1]" 1
404 1 65 GLU QB 1 66 LEU H 3.000 . 4.100 3.264 3.071 3.575 . 0 0 "[ . 1]" 1
405 1 12 VAL H 1 12 VAL HA 2.300 . 3.000 2.822 2.268 2.943 . 0 0 "[ . 1]" 1
406 1 66 LEU H 1 67 THR H 3.100 . 4.300 4.496 4.411 4.550 0.250 5 0 "[ . 1]" 1
407 1 70 GLN H 1 71 PHE H 2.900 . 3.900 2.533 2.481 2.650 . 0 0 "[ . 1]" 1
408 1 67 THR H 1 70 GLN H 3.200 . 4.500 3.710 3.580 3.863 . 0 0 "[ . 1]" 1
409 1 70 GLN H 1 70 GLN HA 2.600 . 3.400 2.844 2.818 2.864 . 0 0 "[ . 1]" 1
410 1 69 THR MG 1 70 GLN H 2.600 . 3.500 2.716 2.065 3.486 . 0 0 "[ . 1]" 1
411 1 80 VAL HA 1 81 LEU H 2.600 . 3.400 3.446 3.310 3.519 0.119 10 0 "[ . 1]" 1
412 1 80 VAL HB 1 81 LEU H 3.100 . 4.300 3.177 2.454 4.222 . 0 0 "[ . 1]" 1
413 1 81 LEU H 1 81 LEU HA 2.700 . 3.600 2.935 2.902 2.943 . 0 0 "[ . 1]" 1
414 1 79 MET HA 1 81 LEU H 3.200 . 4.500 3.750 3.533 4.083 . 0 0 "[ . 1]" 1
415 1 103 MET H 1 104 ALA H 2.900 . 4.000 2.680 2.580 2.755 . 0 0 "[ . 1]" 1
416 1 56 ASP H 1 57 LYS H 2.800 . 3.800 2.674 2.525 2.837 . 0 0 "[ . 1]" 1
417 1 102 THR HA 1 104 ALA H 3.400 . 4.900 4.072 3.943 4.196 . 0 0 "[ . 1]" 1
418 1 55 LEU HA 1 56 ASP H 2.300 . 3.000 2.404 2.276 2.491 . 0 0 "[ . 1]" 1
419 1 104 ALA H 1 105 GLU H 2.900 . 3.900 2.803 2.754 2.850 . 0 0 "[ . 1]" 1
420 1 64 GLN HA 1 104 ALA H 3.100 . 4.300 3.261 2.895 3.561 . 0 0 "[ . 1]" 1
421 1 104 ALA H 1 105 GLU QG 2.700 . 5.600 4.261 4.203 4.297 . 0 0 "[ . 1]" 1
422 1 39 ILE MD 1 104 ALA H 3.300 . 4.700 3.287 3.007 3.427 . 0 0 "[ . 1]" 1
423 1 23 ILE MG 1 26 GLU H 2.900 . 4.000 4.173 4.112 4.300 0.300 7 0 "[ . 1]" 1
424 1 23 ILE HA 1 26 GLU H 3.300 . 4.700 3.094 3.004 3.308 . 0 0 "[ . 1]" 1
425 1 25 GLN HB2 1 26 GLU H 3.000 . 4.100 3.315 2.600 3.912 . 0 0 "[ . 1]" 1
426 1 26 GLU H 1 29 ALA MB 3.500 . 5.000 4.414 4.209 4.548 . 0 0 "[ . 1]" 1
427 1 104 ALA MB 1 107 TYR H 3.400 . 4.800 4.749 4.633 4.824 0.024 3 0 "[ . 1]" 1
428 1 25 GLN H 1 26 GLU H 3.100 . 4.300 2.651 2.599 2.727 . 0 0 "[ . 1]" 1
429 1 106 ILE HB 1 107 TYR H 3.000 . 4.100 2.518 2.450 2.616 . 0 0 "[ . 1]" 1
430 1 106 ILE H 1 107 TYR H 3.100 . 4.300 2.802 2.763 2.826 . 0 0 "[ . 1]" 1
431 1 107 TYR H 1 108 ARG H 2.700 . 3.600 2.713 2.588 2.798 . 0 0 "[ . 1]" 1
432 1 106 ILE MG 1 107 TYR H 2.600 . 3.400 3.248 3.089 3.380 . 0 0 "[ . 1]" 1
433 1 39 ILE MG 1 107 TYR H 3.000 . 4.100 3.997 3.872 4.171 0.071 5 0 "[ . 1]" 1
434 1 39 ILE MD 1 107 TYR H 3.200 . 4.500 3.444 3.229 3.666 . 0 0 "[ . 1]" 1
435 1 88 TYR QD 1 89 LEU H 3.100 . 4.300 3.883 3.343 4.099 . 0 0 "[ . 1]" 1
436 1 88 TYR H 1 89 LEU H 3.800 . 5.600 4.494 4.443 4.532 . 0 0 "[ . 1]" 1
437 1 88 TYR HA 1 89 LEU H 2.400 . 3.100 2.222 2.140 2.345 . 0 0 "[ . 1]" 1
438 1 88 TYR HB3 1 89 LEU H 2.700 . 3.600 3.083 2.574 3.923 0.323 10 0 "[ . 1]" 1
439 1 28 VAL H 1 116 PHE QE 2.900 . 4.000 3.207 2.573 3.830 . 0 0 "[ . 1]" 1
440 1 27 GLU HA 1 28 VAL H 2.500 . 6.000 3.556 3.550 3.565 . 0 0 "[ . 1]" 1
441 1 28 VAL H 1 28 VAL HA 2.800 . 3.800 2.813 2.795 2.829 . 0 0 "[ . 1]" 1
442 1 28 VAL H 1 28 VAL HB 2.200 . 2.800 2.398 2.127 2.763 . 0 0 "[ . 1]" 1
443 1 28 VAL H 1 29 ALA MB 2.900 . 6.000 4.288 4.203 4.362 . 0 0 "[ . 1]" 1
444 1 24 ARG HA 1 28 VAL H 2.800 . 3.800 3.829 3.675 3.985 0.185 10 0 "[ . 1]" 1
445 1 75 ILE H 1 76 ARG H 3.100 . 4.300 2.762 2.718 2.812 . 0 0 "[ . 1]" 1
446 1 72 LEU HA 1 75 ILE H 3.400 . 4.800 3.115 3.013 3.197 . 0 0 "[ . 1]" 1
447 1 74 ILE MG 1 75 ILE H 2.600 . 3.400 3.284 3.186 3.379 . 0 0 "[ . 1]" 1
448 1 73 SER HA 1 75 ILE H 2.900 . 6.000 4.512 4.266 4.675 . 0 0 "[ . 1]" 1
449 1 75 ILE HA 1 78 ARG H 2.700 . 3.600 3.368 3.189 3.637 0.037 8 0 "[ . 1]" 1
450 1 58 THR H 1 59 LYS H 2.700 . 3.600 2.070 1.842 2.286 . 0 0 "[ . 1]" 1
451 1 58 THR HA 1 59 LYS H 3.100 . 4.300 3.477 3.435 3.522 . 0 0 "[ . 1]" 1
452 1 58 THR HB 1 59 LYS H 3.500 . 5.000 3.106 2.690 4.116 . 0 0 "[ . 1]" 1
453 1 57 LYS HA 1 59 LYS H 3.200 . 4.500 3.879 3.573 4.109 . 0 0 "[ . 1]" 1
454 1 68 MET H 1 103 MET ME 2.800 . 3.800 3.492 2.869 3.811 0.011 4 0 "[ . 1]" 1
455 1 67 THR HA 1 68 MET H 2.700 . 3.600 2.386 2.318 2.476 . 0 0 "[ . 1]" 1
456 1 67 THR HB 1 68 MET H 2.600 . 3.400 2.314 2.152 2.429 . 0 0 "[ . 1]" 1
457 1 104 ALA HA 1 105 GLU H 3.800 . 5.600 3.562 3.555 3.570 . 0 0 "[ . 1]" 1
458 1 104 ALA MB 1 105 GLU H 2.700 . 3.600 2.286 2.259 2.328 . 0 0 "[ . 1]" 1
459 1 105 GLU H 1 106 ILE H 2.800 . 3.800 2.642 2.585 2.745 . 0 0 "[ . 1]" 1
460 1 118 TYR QD 1 119 MET H 3.500 . 5.100 4.226 4.055 4.364 . 0 0 "[ . 1]" 1
461 1 118 TYR HA 1 119 MET H 2.500 . 3.300 2.104 2.080 2.133 . 0 0 "[ . 1]" 1
462 1 42 VAL HB 1 119 MET H 3.300 . 4.700 3.875 3.763 3.986 . 0 0 "[ . 1]" 1
463 1 118 TYR H 1 119 MET H 3.500 . 5.100 4.383 4.317 4.450 . 0 0 "[ . 1]" 1
464 1 63 PRO QB 1 64 GLN H 3.200 . 4.400 2.919 2.691 3.130 . 0 0 "[ . 1]" 1
465 1 38 LYS HA 1 64 GLN H 3.000 . 4.100 3.542 2.976 4.101 0.001 4 0 "[ . 1]" 1
466 1 63 PRO HA 1 64 GLN H 2.400 . 3.100 2.240 2.170 2.358 . 0 0 "[ . 1]" 1
467 1 103 MET HA 1 105 GLU H 3.600 . 5.200 4.501 4.327 4.648 . 0 0 "[ . 1]" 1
468 1 56 ASP HB2 1 57 LYS H 3.600 . 5.200 3.913 3.363 4.344 . 0 0 "[ . 1]" 1
469 1 55 LEU HB2 1 57 LYS H 2.800 . 3.800 3.102 2.508 3.850 0.050 10 0 "[ . 1]" 1
470 1 57 LYS H 1 58 THR H 3.500 . 5.100 4.383 4.263 4.452 . 0 0 "[ . 1]" 1
471 1 57 LYS H 1 57 LYS HA 2.600 . 3.400 2.936 2.922 2.946 . 0 0 "[ . 1]" 1
472 1 56 ASP HB3 1 57 LYS H 3.700 . 5.400 2.957 2.449 4.284 . 0 0 "[ . 1]" 1
473 1 102 THR HA 1 103 MET H 2.800 . 3.800 2.338 2.276 2.384 . 0 0 "[ . 1]" 1
474 1 103 MET H 1 103 MET QB 2.900 . 3.900 2.315 2.139 2.503 . 0 0 "[ . 1]" 1
475 1 102 THR MG 1 103 MET H 2.600 . 6.000 3.717 3.651 3.859 . 0 0 "[ . 1]" 1
476 1 102 THR HB 1 103 MET H 2.800 . 3.800 2.596 2.484 2.758 . 0 0 "[ . 1]" 1
477 1 103 MET H 1 103 MET HA 2.900 . 4.000 2.795 2.774 2.816 . 0 0 "[ . 1]" 1
478 1 88 TYR H 1 122 ALA H 3.300 . 4.700 3.113 2.897 3.483 . 0 0 "[ . 1]" 1
479 1 121 TYR HA 1 122 ALA H 2.800 . 3.800 2.195 2.141 2.287 . 0 0 "[ . 1]" 1
480 1 88 TYR HB3 1 122 ALA H 3.400 . 4.900 4.992 4.573 5.350 0.450 3 0 "[ . 1]" 1
481 1 121 TYR HB2 1 122 ALA H 3.100 . 4.300 2.877 2.558 2.976 . 0 0 "[ . 1]" 1
482 1 96 LEU HA 1 97 VAL H 2.200 . 2.800 2.489 2.068 2.922 0.122 8 0 "[ . 1]" 1
483 1 105 GLU HA 1 106 ILE H 3.000 . 4.100 3.523 3.505 3.540 . 0 0 "[ . 1]" 1
484 1 105 GLU QG 1 106 ILE H 2.800 . 3.800 3.861 3.832 3.885 0.085 6 0 "[ . 1]" 1
485 1 112 ASP HA 1 114 ASP H 3.600 . 5.200 4.550 4.346 4.693 . 0 0 "[ . 1]" 1
486 1 112 ASP HB3 1 114 ASP H 3.300 . 4.700 2.784 2.504 2.967 . 0 0 "[ . 1]" 1
487 1 113 GLU QG 1 114 ASP H 3.500 . 5.000 3.600 2.325 4.159 . 0 0 "[ . 1]" 1
488 1 113 GLU HB2 1 114 ASP H 3.300 . 4.700 3.453 2.661 3.957 . 0 0 "[ . 1]" 1
489 1 112 ASP HB2 1 114 ASP H 3.600 . 5.200 4.471 4.222 4.622 . 0 0 "[ . 1]" 1
490 1 21 LEU QD 1 114 ASP H 3.400 . 4.900 3.488 2.969 3.808 . 0 0 "[ . 1]" 1
491 1 71 PHE H 1 72 LEU H 2.900 . 3.900 2.508 2.461 2.544 . 0 0 "[ . 1]" 1
492 1 71 PHE QD 1 72 LEU H 3.200 . 4.500 3.959 3.677 4.144 . 0 0 "[ . 1]" 1
493 1 71 PHE HB3 1 72 LEU H 2.700 . 3.600 2.602 2.509 2.714 . 0 0 "[ . 1]" 1
494 1 72 LEU H 1 72 LEU HB2 2.200 . 2.800 2.417 2.226 2.511 . 0 0 "[ . 1]" 1
495 1 88 TYR HA 1 122 ALA H 3.500 . 5.100 4.865 4.770 4.946 . 0 0 "[ . 1]" 1
496 1 111 LYS H 1 112 ASP H 3.100 . 5.600 4.581 4.504 4.628 . 0 0 "[ . 1]" 1
497 1 110 TYR QD 1 111 LYS H 3.300 . 4.700 4.728 4.661 4.783 0.083 6 0 "[ . 1]" 1
498 1 110 TYR HB3 1 111 LYS H 3.300 . 4.700 4.445 4.394 4.483 . 0 0 "[ . 1]" 1
499 1 110 TYR H 1 111 LYS H 2.600 . 3.300 2.574 2.440 2.662 . 0 0 "[ . 1]" 1
500 1 23 ILE H 1 23 ILE HA 2.900 . 3.900 2.831 2.807 2.845 . 0 0 "[ . 1]" 1
501 1 19 LYS HA 1 20 SER H 2.500 . 3.300 2.185 2.125 2.344 . 0 0 "[ . 1]" 1
502 1 79 MET HA 1 80 VAL H 2.600 . 3.400 2.160 2.122 2.253 . 0 0 "[ . 1]" 1
503 1 79 MET HB2 1 80 VAL H 3.300 . 4.600 4.258 4.114 4.366 . 0 0 "[ . 1]" 1
504 1 110 TYR HA 1 111 LYS H 2.900 . 4.000 3.152 3.096 3.220 . 0 0 "[ . 1]" 1
505 1 22 ALA MB 1 23 ILE H 2.700 . 3.600 2.457 2.348 2.570 . 0 0 "[ . 1]" 1
506 1 23 ILE H 1 24 ARG H 2.700 . 3.600 2.605 2.545 2.691 . 0 0 "[ . 1]" 1
507 1 20 SER HB3 1 23 ILE H 3.000 . 4.100 4.152 4.079 4.193 0.093 4 0 "[ . 1]" 1
508 1 28 VAL HA 1 32 ARG H 3.600 . 5.200 3.654 3.530 3.778 . 0 0 "[ . 1]" 1
509 1 21 LEU H 1 22 ALA H 2.800 . 3.800 2.690 2.613 2.764 . 0 0 "[ . 1]" 1
510 1 22 ALA H 1 23 ILE H 2.700 . 3.600 2.825 2.697 2.905 . 0 0 "[ . 1]" 1
511 1 21 LEU HG 1 22 ALA H 2.500 . 3.300 3.303 3.270 3.324 0.024 8 0 "[ . 1]" 1
512 1 20 SER HB2 1 22 ALA H 2.800 . 3.800 3.152 3.006 3.321 . 0 0 "[ . 1]" 1
513 1 19 LYS HB3 1 20 SER H 2.500 . 3.300 2.786 2.565 3.204 . 0 0 "[ . 1]" 1
514 1 20 SER H 1 23 ILE HB 3.000 . 4.100 2.203 1.864 2.579 0.036 10 0 "[ . 1]" 1
515 1 124 GLN HB3 1 125 GLU H 2.800 . 3.800 3.133 2.013 3.842 0.042 7 0 "[ . 1]" 1
516 1 80 VAL H 1 81 LEU H 2.600 . 3.400 2.518 2.324 2.667 . 0 0 "[ . 1]" 1
517 1 32 ARG H 1 33 ALA H 3.000 . 4.100 2.596 2.551 2.721 . 0 0 "[ . 1]" 1
518 1 29 ALA HA 1 32 ARG H 2.500 . 3.300 3.280 3.200 3.352 0.052 8 0 "[ . 1]" 1
519 1 31 ILE MG 1 32 ARG H 2.800 . 3.800 3.250 3.117 3.360 . 0 0 "[ . 1]" 1
520 1 125 GLU H 1 125 GLU HA 2.700 . 3.600 2.905 2.848 2.948 . 0 0 "[ . 1]" 1
521 1 124 GLN HA 1 125 GLU H 2.500 . 3.300 2.236 2.131 2.638 . 0 0 "[ . 1]" 1
522 1 32 ARG HB2 1 33 ALA H 2.800 . 3.800 3.587 2.794 4.100 0.300 4 0 "[ . 1]" 1
523 1 87 PHE H 1 88 TYR H 3.700 . 5.500 4.344 4.254 4.457 . 0 0 "[ . 1]" 1
524 1 86 ALA HA 1 87 PHE H 2.100 . 2.700 2.239 2.108 2.504 . 0 0 "[ . 1]" 1
525 1 86 ALA MB 1 87 PHE H 2.500 . 3.300 2.843 2.228 3.419 0.119 3 0 "[ . 1]" 1
526 1 93 ASN H 1 94 LYS H 2.700 . 3.600 2.755 2.682 2.830 . 0 0 "[ . 1]" 1
527 1 94 LYS H 1 95 SER H 2.600 . 3.400 2.365 2.142 2.557 . 0 0 "[ . 1]" 1
528 1 93 ASN HB3 1 94 LYS H 3.200 . 4.500 4.301 3.629 4.455 . 0 0 "[ . 1]" 1
529 1 94 LYS H 1 94 LYS HB2 2.300 . 3.000 2.883 2.498 3.308 0.308 2 0 "[ . 1]" 1
530 1 93 ASN HA 1 94 LYS H 2.800 . 3.800 3.059 2.875 3.295 . 0 0 "[ . 1]" 1
531 1 38 LYS H 1 39 ILE H 3.300 . 4.700 4.470 4.290 4.526 . 0 0 "[ . 1]" 1
532 1 37 ASN H 1 38 LYS H 2.300 . 3.000 2.341 2.244 2.419 . 0 0 "[ . 1]" 1
533 1 79 MET H 1 80 VAL H 3.400 . 4.900 4.551 4.502 4.611 . 0 0 "[ . 1]" 1
534 1 38 LYS H 1 38 LYS HA 2.400 . 3.100 2.936 2.915 2.944 . 0 0 "[ . 1]" 1
535 1 37 ASN QB 1 38 LYS H 2.500 . 3.300 3.236 3.123 3.293 . 0 0 "[ . 1]" 1
536 1 75 ILE H 1 76 ARG H 2.500 . 3.300 2.400 2.375 2.442 . 0 0 "[ . 1]" 1
537 1 73 SER HA 1 76 ARG H 3.100 . 4.300 3.478 3.199 3.676 . 0 0 "[ . 1]" 1
538 1 75 ILE MG 1 76 ARG H 2.800 . 3.800 3.298 3.195 3.405 . 0 0 "[ . 1]" 1
539 1 75 ILE HA 1 76 ARG H 2.900 . 4.000 3.542 3.531 3.557 . 0 0 "[ . 1]" 1
540 1 74 ILE MG 1 76 ARG H 3.100 . 6.000 4.967 4.868 5.040 . 0 0 "[ . 1]" 1
541 1 33 ALA HA 1 35 PHE H 3.500 . 5.000 4.595 4.349 4.877 . 0 0 "[ . 1]" 1
542 1 35 PHE H 1 35 PHE HB2 3.000 . 4.100 2.729 2.660 2.802 . 0 0 "[ . 1]" 1
543 1 34 LYS H 1 35 PHE H 2.300 . 3.000 2.371 2.247 2.482 . 0 0 "[ . 1]" 1
544 1 31 ILE HA 1 35 PHE H 2.700 . 3.600 3.202 3.114 3.266 . 0 0 "[ . 1]" 1
545 1 33 ALA HA 1 34 LYS H 3.100 . 4.300 3.514 3.453 3.549 . 0 0 "[ . 1]" 1
546 1 33 ALA MB 1 34 LYS H 2.300 . 3.000 2.646 2.507 2.859 . 0 0 "[ . 1]" 1
547 1 31 ILE HA 1 34 LYS H 2.700 . 3.600 3.556 3.462 3.658 0.058 9 0 "[ . 1]" 1
548 1 25 GLN H 1 25 GLN HB2 3.000 . 4.100 2.424 2.247 2.559 . 0 0 "[ . 1]" 1
549 1 24 ARG H 1 25 GLN H 3.100 . 4.300 2.577 2.522 2.666 . 0 0 "[ . 1]" 1
550 1 22 ALA HA 1 25 GLN H 2.600 . 3.500 3.471 3.327 3.556 0.056 4 0 "[ . 1]" 1
551 1 35 PHE H 1 35 PHE HA 2.900 . 4.000 2.944 2.933 2.949 . 0 0 "[ . 1]" 1
552 1 34 LYS HB3 1 35 PHE H 2.800 . 3.800 3.123 2.642 3.665 . 0 0 "[ . 1]" 1
553 1 35 PHE H 1 35 PHE HB3 2.900 . 4.000 3.816 3.789 3.860 . 0 0 "[ . 1]" 1
554 1 42 VAL H 1 117 VAL H 3.500 . 5.000 3.560 3.389 3.718 . 0 0 "[ . 1]" 1
555 1 116 PHE QD 1 117 VAL H 2.700 . 3.600 3.473 3.187 3.655 0.055 9 0 "[ . 1]" 1
556 1 116 PHE HB2 1 117 VAL H 2.800 . 3.800 3.911 3.797 3.969 0.169 8 0 "[ . 1]" 1
557 1 39 ILE MG 1 117 VAL H 3.200 . 4.500 3.500 3.326 3.701 . 0 0 "[ . 1]" 1
558 1 116 PHE HA 1 117 VAL H 2.600 . 3.400 2.310 2.280 2.354 . 0 0 "[ . 1]" 1
559 1 116 PHE HB3 1 117 VAL H 3.100 . 4.300 2.662 2.504 2.744 . 0 0 "[ . 1]" 1
560 1 49 GLU HA 1 50 THR H 2.600 . 3.500 2.202 2.126 2.310 . 0 0 "[ . 1]" 1
561 1 50 THR H 1 50 THR MG 2.900 . 3.900 3.463 2.450 3.936 0.036 1 0 "[ . 1]" 1
562 1 49 GLU HG2 1 50 THR H 3.300 . 4.700 4.348 3.881 4.792 0.092 2 0 "[ . 1]" 1
563 1 108 ARG H 1 108 ARG HB3 2.600 . 3.400 3.139 2.411 3.593 0.193 8 0 "[ . 1]" 1
564 1 64 GLN H 1 65 GLU H 2.900 . 4.000 2.602 2.503 2.767 . 0 0 "[ . 1]" 1
565 1 65 GLU H 1 66 LEU H 2.500 . 3.300 2.428 2.277 2.513 . 0 0 "[ . 1]" 1
566 1 63 PRO QB 1 65 GLU H 3.000 . 4.200 2.430 2.161 2.873 . 0 0 "[ . 1]" 1
567 1 127 PHE QD 1 128 GLY H 2.800 . 3.800 3.405 2.735 3.820 0.020 1 0 "[ . 1]" 1
568 1 127 PHE HB2 1 128 GLY H 2.700 . 3.600 3.075 2.132 3.723 0.123 4 0 "[ . 1]" 1
569 1 108 ARG H 1 108 ARG HG2 3.300 . 4.700 3.678 2.196 4.575 . 0 0 "[ . 1]" 1
570 1 108 ARG H 1 108 ARG HA 2.500 . 3.300 2.790 2.773 2.824 . 0 0 "[ . 1]" 1
571 1 107 TYR HB3 1 108 ARG H 2.700 . 3.600 2.520 2.401 2.668 . 0 0 "[ . 1]" 1
572 1 68 MET H 1 69 THR H 2.700 . 3.600 2.730 2.624 2.826 . 0 0 "[ . 1]" 1
573 1 69 THR H 1 70 GLN H 2.800 . 3.800 2.735 2.639 2.852 . 0 0 "[ . 1]" 1
574 1 67 THR HA 1 69 THR H 3.400 . 4.800 4.279 3.998 4.479 . 0 0 "[ . 1]" 1
575 1 67 THR HB 1 69 THR H 2.300 . 3.000 2.691 2.553 2.870 . 0 0 "[ . 1]" 1
576 1 68 MET HB3 1 69 THR H 2.500 . 3.300 3.434 2.626 3.754 0.454 4 0 "[ . 1]" 1
577 1 69 THR H 1 72 LEU H 3.400 . 4.800 4.609 4.497 4.745 . 0 0 "[ . 1]" 1
578 1 122 ALA HA 1 123 SER H 3.200 . 4.500 2.381 2.228 2.605 . 0 0 "[ . 1]" 1
579 1 109 ASP HA 1 110 TYR H 3.000 . 4.100 3.548 3.524 3.565 . 0 0 "[ . 1]" 1
580 1 106 ILE HA 1 110 TYR H 3.300 . 4.600 3.679 3.567 3.947 . 0 0 "[ . 1]" 1
581 1 109 ASP HB3 1 110 TYR H 2.800 . 3.800 2.713 2.438 3.675 . 0 0 "[ . 1]" 1
582 1 109 ASP HB2 1 110 TYR H 2.700 . 3.600 3.542 2.777 3.756 0.156 8 0 "[ . 1]" 1
583 1 46 TYR H 1 121 TYR H 3.400 . 4.800 3.248 2.861 3.532 . 0 0 "[ . 1]" 1
584 1 120 THR HA 1 121 TYR H 3.000 . 4.100 2.243 2.192 2.285 . 0 0 "[ . 1]" 1
585 1 57 LYS HB3 1 58 THR H 2.900 . 3.900 2.971 2.509 3.936 0.036 6 0 "[ . 1]" 1
586 1 106 ILE HA 1 109 ASP H 3.600 . 5.200 3.705 3.580 3.834 . 0 0 "[ . 1]" 1
587 1 108 ARG HA 1 109 ASP H 2.800 . 3.800 3.507 3.457 3.544 . 0 0 "[ . 1]" 1
588 1 108 ARG HB2 1 109 ASP H 2.900 . 3.900 3.352 2.866 4.088 0.188 2 0 "[ . 1]" 1
589 1 106 ILE MG 1 109 ASP H 3.500 . 5.000 4.690 4.572 4.810 . 0 0 "[ . 1]" 1
590 1 36 PRO HA 1 37 ASN H 2.600 . 6.000 3.481 3.450 3.513 . 0 0 "[ . 1]" 1
591 1 37 ASN H 1 37 ASN QB 2.300 . 3.000 2.359 2.283 2.492 . 0 0 "[ . 1]" 1
592 1 36 PRO HB2 1 37 ASN H 2.600 . 3.400 3.395 3.008 3.474 0.074 5 0 "[ . 1]" 1
593 1 35 PHE HA 1 37 ASN H 3.300 . 4.700 3.394 3.126 3.582 . 0 0 "[ . 1]" 1
594 1 57 LYS HA 1 58 THR H 2.600 . 3.500 2.263 2.129 2.371 . 0 0 "[ . 1]" 1
595 1 36 PRO HB3 1 37 ASN H 3.000 . 4.100 4.225 4.203 4.250 0.150 3 0 "[ . 1]" 1
596 1 91 VAL HA 1 120 THR H 3.700 . 5.400 3.411 3.108 3.848 . 0 0 "[ . 1]" 1
597 1 119 MET HG3 1 120 THR H 3.500 . 5.000 4.851 3.906 5.098 0.098 3 0 "[ . 1]" 1
598 1 92 ASN H 1 120 THR H 3.600 . 5.300 3.654 3.432 3.895 . 0 0 "[ . 1]" 1
599 1 119 MET HA 1 120 THR H 2.600 . 3.400 2.176 2.085 2.308 . 0 0 "[ . 1]" 1
600 1 119 MET HB2 1 120 THR H 3.000 . 4.200 4.066 3.751 4.296 0.096 9 0 "[ . 1]" 1
601 1 119 MET HB3 1 120 THR H 3.000 . 4.200 3.049 2.565 3.458 . 0 0 "[ . 1]" 1
602 1 119 MET HG2 1 120 THR H 3.300 . 4.700 4.286 3.904 5.072 0.372 9 0 "[ . 1]" 1
603 1 76 ARG H 1 77 SER H 2.900 . 3.900 2.639 2.560 2.764 . 0 0 "[ . 1]" 1
604 1 74 ILE MG 1 77 SER H 3.100 . 4.300 4.389 4.350 4.436 0.136 6 0 "[ . 1]" 1
605 1 99 MET H 1 100 SER H 2.700 . 3.600 2.514 2.215 2.676 . 0 0 "[ . 1]" 1
606 1 99 MET HB2 1 100 SER H 3.300 . 4.700 3.568 2.926 4.155 . 0 0 "[ . 1]" 1
607 1 100 SER H 1 101 ALA MB 2.900 . 3.900 3.886 3.710 3.959 0.059 6 0 "[ . 1]" 1
608 1 98 SER HA 1 100 SER H 2.300 . 3.000 3.092 3.006 3.149 0.149 1 0 "[ . 1]" 1
609 1 99 MET HB3 1 100 SER H 3.100 . 4.300 4.091 3.723 4.366 0.066 7 0 "[ . 1]" 1
610 1 74 ILE HA 1 77 SER H 3.300 . 4.600 3.290 3.220 3.401 . 0 0 "[ . 1]" 1
611 1 75 ILE HA 1 77 SER H 3.200 . 4.500 3.334 3.313 3.385 . 0 0 "[ . 1]" 1
612 1 66 LEU HA 1 67 THR H 2.500 . 3.300 2.159 2.136 2.204 . 0 0 "[ . 1]" 1
613 1 67 THR H 1 70 GLN HB2 2.600 . 3.500 2.559 2.206 3.101 . 0 0 "[ . 1]" 1
614 1 72 LEU H 1 73 SER H 2.600 . 3.400 2.770 2.675 2.848 . 0 0 "[ . 1]" 1
615 1 73 SER H 1 74 ILE H 2.800 . 3.800 2.663 2.602 2.738 . 0 0 "[ . 1]" 1
616 1 71 PHE HA 1 73 SER H 3.900 . 5.800 4.259 4.157 4.391 . 0 0 "[ . 1]" 1
617 1 125 GLU HA 1 126 THR H 2.900 . 4.000 2.525 2.136 3.554 . 0 0 "[ . 1]" 1
618 1 125 GLU H 1 126 THR H 2.600 . 3.400 2.880 2.282 3.353 . 0 0 "[ . 1]" 1
619 1 64 GLN HB3 1 64 GLN HE21 3.300 . 4.700 3.323 1.850 4.469 0.050 2 0 "[ . 1]" 1
620 1 64 GLN HB3 1 64 GLN HE22 3.800 . 5.600 4.115 3.503 4.730 . 0 0 "[ . 1]" 1
621 1 102 THR H 1 105 GLU H 3.500 . 5.000 3.728 3.612 3.919 . 0 0 "[ . 1]" 1
622 1 101 ALA HA 1 102 THR H 2.200 . 2.800 2.191 2.136 2.267 . 0 0 "[ . 1]" 1
623 1 102 THR H 1 105 GLU QB 2.900 . 4.000 2.905 2.674 3.165 . 0 0 "[ . 1]" 1
624 1 101 ALA MB 1 102 THR H 2.400 . 3.100 2.867 2.677 3.024 . 0 0 "[ . 1]" 1
625 1 83 ALA H 1 84 THR H 3.100 . 4.300 3.489 1.971 4.287 . 0 0 "[ . 1]" 1
626 1 83 ALA HA 1 84 THR H 2.500 . 3.300 2.466 2.115 3.388 0.088 10 0 "[ . 1]" 1
627 1 83 ALA MB 1 84 THR H 2.600 . 3.500 3.238 2.739 3.682 0.182 6 0 "[ . 1]" 1
628 1 28 VAL HA 1 30 GLY H 3.600 . 5.200 4.457 4.381 4.525 . 0 0 "[ . 1]" 1
629 1 30 GLY H 1 31 ILE HB 2.900 . 6.000 4.858 4.737 5.008 . 0 0 "[ . 1]" 1
630 1 29 ALA MB 1 30 GLY H 2.400 . 3.100 2.403 2.369 2.430 . 0 0 "[ . 1]" 1
631 1 28 VAL QG 1 115 GLY H 3.500 . 4.600 3.973 3.734 4.121 . 0 0 "[ . 1]" 1
632 1 115 GLY H 1 116 PHE H 2.800 . 3.800 2.471 2.364 2.633 . 0 0 "[ . 1]" 1
633 1 112 ASP HA 1 115 GLY H 3.500 . 5.000 4.572 4.494 4.674 . 0 0 "[ . 1]" 1
634 1 114 ASP HA 1 115 GLY H 3.200 . 4.500 3.378 3.369 3.390 . 0 0 "[ . 1]" 1
635 1 112 ASP HB2 1 115 GLY H 3.300 . 4.700 4.554 4.406 4.663 . 0 0 "[ . 1]" 1
636 1 112 ASP HB3 1 115 GLY H 3.300 . 4.600 3.103 2.988 3.280 . 0 0 "[ . 1]" 1
637 1 94 LYS H 1 95 SER HB2 3.900 . 5.800 4.917 4.456 6.033 0.233 8 0 "[ . 1]" 1
638 1 108 ARG HA 1 110 TYR H 3.500 . 5.100 5.003 4.781 5.115 0.015 10 0 "[ . 1]" 1
639 1 123 SER H 1 124 GLN H 4.000 . 6.000 3.207 2.384 4.575 . 0 0 "[ . 1]" 1
640 1 123 SER H 1 124 GLN HA 4.300 . 6.600 5.184 4.876 5.593 . 0 0 "[ . 1]" 1
641 1 124 GLN H 1 125 GLU H 3.500 . 5.100 4.315 4.117 4.523 . 0 0 "[ . 1]" 1
642 1 38 LYS HA 1 62 VAL H 3.600 . 5.200 4.379 3.872 4.644 . 0 0 "[ . 1]" 1
643 1 49 GLU H 1 50 THR H 3.500 . 5.100 4.529 4.420 4.578 . 0 0 "[ . 1]" 1
644 1 121 TYR H 1 122 ALA H 3.900 . 5.800 4.437 4.370 4.478 . 0 0 "[ . 1]" 1
645 1 88 TYR QD 1 122 ALA H 3.600 . 5.200 4.724 3.731 5.194 . 0 0 "[ . 1]" 1
646 1 107 TYR QD 1 117 VAL H 3.500 . 5.100 4.225 3.566 4.603 . 0 0 "[ . 1]" 1
647 1 117 VAL HB 1 118 TYR H 3.700 . 5.400 4.251 3.899 4.336 . 0 0 "[ . 1]" 1
648 1 118 TYR QB 1 119 MET H 3.800 . 5.600 3.283 3.127 3.430 . 0 0 "[ . 1]" 1
649 1 112 ASP H 1 115 GLY H 4.000 . 6.000 3.616 3.500 3.806 . 0 0 "[ . 1]" 1
650 1 113 GLU HA 1 115 GLY H 3.400 . 4.900 3.947 3.806 4.088 . 0 0 "[ . 1]" 1
651 1 107 TYR H 1 109 ASP H 4.300 . 6.600 4.169 3.950 4.348 . 0 0 "[ . 1]" 1
652 1 109 ASP H 1 110 TYR QD 3.000 . 4.100 3.703 3.513 3.868 . 0 0 "[ . 1]" 1
653 1 35 PHE HB2 1 37 ASN H 3.300 . 4.600 4.760 4.659 5.040 0.440 10 0 "[ . 1]" 1
654 1 67 THR H 1 71 PHE H 3.700 . 5.400 4.362 4.126 4.706 . 0 0 "[ . 1]" 1
655 1 70 GLN H 1 72 LEU H 3.800 . 5.600 4.085 3.947 4.216 . 0 0 "[ . 1]" 1
656 1 69 THR MG 1 72 LEU H 3.700 . 5.400 4.903 4.707 5.111 . 0 0 "[ . 1]" 1
657 1 59 LYS H 1 60 PHE H 4.900 . 7.900 4.340 4.151 4.441 . 0 0 "[ . 1]" 1
658 1 49 GLU HG2 1 51 PHE H 3.500 . 5.000 4.382 3.673 5.485 0.485 7 0 "[ . 1]" 1
659 1 51 PHE HA 1 52 LEU H 3.600 . 5.300 3.165 2.338 3.543 . 0 0 "[ . 1]" 1
660 1 49 GLU HG2 1 52 LEU H 4.500 . 7.000 3.657 2.732 5.881 . 0 0 "[ . 1]" 1
661 1 116 PHE H 1 117 VAL H 4.000 . 6.000 4.599 4.564 4.626 . 0 0 "[ . 1]" 1
662 1 51 PHE HB2 1 52 LEU H 3.500 . 5.100 3.961 2.436 4.690 . 0 0 "[ . 1]" 1
663 1 33 ALA H 1 35 PHE H 3.700 . 4.600 3.910 3.767 4.098 . 0 0 "[ . 1]" 1
664 1 31 ILE H 1 33 ALA H 3.900 . 5.800 4.043 3.936 4.212 . 0 0 "[ . 1]" 1
665 1 30 GLY HA3 1 33 ALA H 3.100 . 4.300 3.394 3.368 3.432 . 0 0 "[ . 1]" 1
666 1 30 GLY H 1 32 ARG H 3.900 . 5.800 4.283 4.156 4.352 . 0 0 "[ . 1]" 1
667 1 30 GLY H 1 33 ALA H 4.100 . 6.200 4.755 4.632 4.892 . 0 0 "[ . 1]" 1
668 1 104 ALA H 1 107 TYR H 4.900 . 7.900 4.640 4.586 4.713 . 0 0 "[ . 1]" 1
669 1 103 MET HA 1 107 TYR H 3.800 . 5.600 3.667 3.521 3.901 . 0 0 "[ . 1]" 1
670 1 108 ARG H 1 110 TYR H 3.700 . 5.400 4.345 4.216 4.449 . 0 0 "[ . 1]" 1
671 1 106 ILE H 1 108 ARG H 3.800 . 5.600 4.245 4.027 4.381 . 0 0 "[ . 1]" 1
672 1 104 ALA HA 1 108 ARG H 4.300 . 6.600 4.169 3.972 4.414 . 0 0 "[ . 1]" 1
673 1 107 TYR QD 1 108 ARG H 3.000 . 4.100 3.681 3.142 4.079 . 0 0 "[ . 1]" 1
674 1 35 PHE HA 1 38 LYS H 4.200 . 6.400 3.983 3.832 4.113 . 0 0 "[ . 1]" 1
675 1 39 ILE MD 1 105 GLU H 3.900 . 5.800 4.789 4.628 4.873 . 0 0 "[ . 1]" 1
676 1 104 ALA H 1 106 ILE H 3.900 . 5.800 4.058 3.940 4.262 . 0 0 "[ . 1]" 1
677 1 64 GLN HA 1 103 MET H 4.200 . 6.400 4.467 4.069 4.895 . 0 0 "[ . 1]" 1
678 1 102 THR H 1 103 MET H 4.000 . 6.000 4.587 4.556 4.603 . 0 0 "[ . 1]" 1
679 1 36 PRO HA 1 38 LYS H 3.200 . 4.500 3.943 3.825 4.123 . 0 0 "[ . 1]" 1
680 1 35 PHE HB2 1 38 LYS H 3.100 . 4.300 3.617 3.510 3.926 . 0 0 "[ . 1]" 1
681 1 74 ILE H 1 75 ILE HB 4.100 . 6.200 4.832 4.749 4.895 . 0 0 "[ . 1]" 1
682 1 69 THR H 1 71 PHE H 3.500 . 5.000 3.932 3.773 4.152 . 0 0 "[ . 1]" 1
683 1 22 ALA H 1 25 GLN H 4.400 . 6.800 4.810 4.680 4.955 . 0 0 "[ . 1]" 1
684 1 42 VAL H 1 116 PHE HB2 4.200 . 6.400 5.422 5.040 5.734 . 0 0 "[ . 1]" 1
685 1 92 ASN H 1 120 THR H 4.200 . 6.400 3.939 3.607 4.331 . 0 0 "[ . 1]" 1
686 1 90 LEU H 1 91 VAL H 3.800 . 5.400 4.441 3.996 4.532 . 0 0 "[ . 1]" 1
687 1 39 ILE H 1 64 GLN H 4.000 . 6.000 4.626 4.242 5.133 . 0 0 "[ . 1]" 1
688 1 39 ILE H 1 63 PRO HA 4.800 . 7.700 3.745 3.444 4.091 . 0 0 "[ . 1]" 1
689 1 81 LEU H 1 82 ARG H 3.600 . 5.300 4.390 4.268 4.522 . 0 0 "[ . 1]" 1
690 1 70 GLN H 1 71 PHE HB3 3.800 . 5.600 4.833 4.719 4.974 . 0 0 "[ . 1]" 1
691 1 55 LEU HA 1 57 LYS H 3.600 . 5.200 4.257 3.946 4.525 . 0 0 "[ . 1]" 1
692 1 23 ILE H 1 25 GLN H 4.000 . 6.000 4.202 4.075 4.333 . 0 0 "[ . 1]" 1
693 1 73 SER H 1 76 ARG H 4.000 . 6.000 4.802 4.629 4.970 . 0 0 "[ . 1]" 1
694 1 74 ILE HA 1 76 ARG H 3.700 . 5.400 4.454 4.293 4.547 . 0 0 "[ . 1]" 1
695 1 74 ILE HB 1 76 ARG H 3.700 . 5.400 5.068 4.932 5.213 . 0 0 "[ . 1]" 1
696 1 75 ILE MD 1 76 ARG H 3.800 . 5.600 4.577 4.460 4.656 . 0 0 "[ . 1]" 1
697 1 75 ILE MG 1 77 SER H 3.600 . 5.200 4.813 4.742 4.975 . 0 0 "[ . 1]" 1
698 1 71 PHE H 1 73 SER H 3.700 . 5.400 4.039 3.853 4.196 . 0 0 "[ . 1]" 1
699 1 73 SER H 1 75 ILE H 3.500 . 5.000 4.225 4.162 4.314 . 0 0 "[ . 1]" 1
700 1 28 VAL QG 1 116 PHE H 4.200 . 6.400 3.149 2.622 3.711 . 0 0 "[ . 1]" 1
701 1 66 LEU H 1 102 THR HB 4.700 . 7.500 4.545 4.055 4.992 . 0 0 "[ . 1]" 1
702 1 55 LEU HB3 1 57 LYS H 3.300 . 4.600 2.806 2.420 3.106 . 0 0 "[ . 1]" 1
703 1 46 TYR H 1 49 GLU QB 3.700 . 5.400 3.313 2.831 4.586 . 0 0 "[ . 1]" 1
704 1 46 TYR H 1 120 THR MG 3.500 . 5.000 3.224 2.906 4.079 . 0 0 "[ . 1]" 1
705 1 21 LEU H 1 23 ILE H 4.400 . 5.600 4.146 3.993 4.296 . 0 0 "[ . 1]" 1
706 1 39 ILE H 1 61 LEU HA 3.700 . 5.400 4.111 3.828 4.365 . 0 0 "[ . 1]" 1
707 1 27 GLU HA 1 31 ILE H 2.900 . 4.000 3.998 3.872 4.058 0.058 9 0 "[ . 1]" 1
708 1 29 ALA HA 1 30 GLY H 2.700 . 3.600 3.549 3.542 3.556 . 0 0 "[ . 1]" 1
709 1 28 VAL H 1 31 ILE MD 2.800 . 3.800 3.923 3.901 3.947 0.147 5 0 "[ . 1]" 1
710 1 22 ALA MB 1 25 GLN H 3.600 . 5.200 4.590 4.518 4.630 . 0 0 "[ . 1]" 1
711 1 23 ILE H 1 23 ILE HG13 3.100 . 4.300 2.975 2.184 3.711 . 0 0 "[ . 1]" 1
712 1 107 TYR HA 1 111 LYS H 3.700 . 5.400 3.749 3.447 3.972 . 0 0 "[ . 1]" 1
713 1 76 ARG H 1 87 PHE QE 4.000 . 6.000 4.171 3.651 4.857 . 0 0 "[ . 1]" 1
714 1 75 ILE HG13 1 76 ARG H 3.800 . 5.600 4.501 4.163 4.936 . 0 0 "[ . 1]" 1
715 1 107 TYR HA 1 110 TYR H 3.600 . 5.200 3.732 3.613 3.947 . 0 0 "[ . 1]" 1
716 1 22 ALA HA 1 26 GLU H 3.200 . 4.500 3.830 3.712 3.991 . 0 0 "[ . 1]" 1
717 1 46 TYR H 1 120 THR HA 4.400 . 6.800 4.726 3.998 5.055 . 0 0 "[ . 1]" 1
718 1 23 ILE MG 1 24 ARG H 2.800 . 3.800 3.586 3.427 3.711 . 0 0 "[ . 1]" 1
719 1 23 ILE HG12 1 24 ARG H 3.500 . 5.000 4.728 4.265 5.139 0.139 4 0 "[ . 1]" 1
720 1 27 GLU HG3 1 28 VAL H 3.800 . 5.600 4.416 3.888 4.688 . 0 0 "[ . 1]" 1
721 1 27 GLU H 1 28 VAL H 2.800 . 3.800 2.762 2.651 2.853 . 0 0 "[ . 1]" 1
722 1 48 ARG HB2 1 49 GLU H 3.400 . 4.900 3.623 3.165 4.289 . 0 0 "[ . 1]" 1
723 1 71 PHE HA 1 72 LEU H 3.700 . 5.400 3.508 3.484 3.527 . 0 0 "[ . 1]" 1
724 1 68 MET HA 1 72 LEU H 3.600 . 5.200 3.887 3.491 4.146 . 0 0 "[ . 1]" 1
725 1 74 ILE H 1 76 ARG H 4.400 . 6.900 4.159 4.004 4.287 . 0 0 "[ . 1]" 1
726 1 85 GLU HA 1 86 ALA H 2.200 . 2.800 2.519 2.201 2.976 0.176 2 0 "[ . 1]" 1
727 1 114 ASP H 1 116 PHE H 4.600 . 7.200 3.839 3.608 3.991 . 0 0 "[ . 1]" 1
728 1 112 ASP H 1 116 PHE H 4.600 . 7.300 3.826 3.392 4.152 . 0 0 "[ . 1]" 1
729 1 46 TYR H 1 121 TYR QD 6.100 . 10.700 3.895 2.805 4.518 . 0 0 "[ . 1]" 1
730 1 35 PHE H 1 36 PRO HD2 4.200 . 6.400 4.222 3.977 4.743 . 0 0 "[ . 1]" 1
731 1 108 ARG H 1 108 ARG HD3 4.700 . 7.400 4.344 3.387 4.874 . 0 0 "[ . 1]" 1
732 1 102 THR MG 1 105 GLU H 3.600 . 5.200 4.276 4.239 4.321 . 0 0 "[ . 1]" 1
733 1 103 MET H 1 105 GLU H 3.800 . 5.600 4.511 4.469 4.555 . 0 0 "[ . 1]" 1
734 1 30 GLY HA3 1 31 ILE H 2.300 . 3.000 2.745 2.709 2.792 . 0 0 "[ . 1]" 1
735 1 85 GLU HB3 1 86 ALA H 2.800 . 3.800 3.214 1.705 4.440 0.640 3 2 "[ -+ . 1]" 1
736 1 27 GLU H 1 116 PHE QE 3.200 . 4.500 4.451 4.116 4.620 0.120 7 0 "[ . 1]" 1
737 1 112 ASP H 1 114 ASP H 5.000 . 8.100 4.809 4.554 4.985 . 0 0 "[ . 1]" 1
738 1 113 GLU H 1 114 ASP H 2.600 . 3.500 2.620 2.512 2.764 . 0 0 "[ . 1]" 1
739 1 113 GLU H 1 115 GLY H 3.800 . 5.700 3.937 3.864 3.981 . 0 0 "[ . 1]" 1
740 1 124 GLN H 1 124 GLN HB3 3.600 . 5.200 3.235 2.486 3.869 . 0 0 "[ . 1]" 1
741 1 32 ARG H 1 34 LYS H 3.300 . 4.700 4.143 3.945 4.253 . 0 0 "[ . 1]" 1
742 1 43 VAL H 1 60 PHE H 3.900 . 5.800 4.422 4.075 5.003 . 0 0 "[ . 1]" 1
743 1 49 GLU H 1 49 GLU HA 3.000 . 4.100 2.891 2.833 2.908 . 0 0 "[ . 1]" 1
744 1 45 ARG H 1 121 TYR QE 3.500 . 5.000 3.462 3.147 4.391 . 0 0 "[ . 1]" 1
745 1 88 TYR QE 1 125 GLU H 3.100 . 4.300 3.354 1.859 4.355 0.055 2 0 "[ . 1]" 1
746 1 88 TYR QD 1 125 GLU H 4.100 . 6.200 3.650 2.688 5.405 . 0 0 "[ . 1]" 1
747 1 26 GLU H 1 28 VAL H 3.600 . 5.200 4.160 3.943 4.280 . 0 0 "[ . 1]" 1
748 1 23 ILE H 1 26 GLU H 4.300 . 6.600 4.738 4.529 4.965 . 0 0 "[ . 1]" 1
749 1 108 ARG HA 1 111 LYS H 4.700 . 7.400 4.598 4.263 4.857 . 0 0 "[ . 1]" 1
750 1 28 VAL H 1 30 GLY H 3.600 . 5.200 3.943 3.836 4.015 . 0 0 "[ . 1]" 1
751 1 37 ASN H 1 37 ASN HA 2.500 . 3.300 2.910 2.889 2.934 . 0 0 "[ . 1]" 1
752 1 55 LEU HB2 1 56 ASP H 2.800 . 3.800 3.516 3.279 3.952 0.152 10 0 "[ . 1]" 1
753 1 104 ALA H 1 105 GLU HA 4.000 . 6.000 5.387 5.354 5.422 . 0 0 "[ . 1]" 1
754 1 71 PHE QD 1 74 ILE H 3.700 . 5.400 4.762 4.410 4.984 . 0 0 "[ . 1]" 1
755 1 71 PHE QD 1 75 ILE H 3.800 . 5.600 4.568 4.219 4.730 . 0 0 "[ . 1]" 1
756 1 75 ILE HB 1 76 ARG H 2.600 . 3.500 2.523 2.389 2.587 . 0 0 "[ . 1]" 1
757 1 79 MET HB3 1 80 VAL H 3.400 . 4.800 3.307 2.983 3.881 . 0 0 "[ . 1]" 1
758 1 92 ASN HB3 1 93 ASN H 3.500 . 5.100 4.217 4.088 4.442 . 0 0 "[ . 1]" 1
759 1 103 MET HA 1 104 ALA H 3.300 . 4.700 3.484 3.456 3.515 . 0 0 "[ . 1]" 1
760 1 114 ASP H 1 115 GLY H 2.700 . 3.600 2.430 2.267 2.528 . 0 0 "[ . 1]" 1
761 1 103 MET HA 1 106 ILE H 3.200 . 4.500 3.299 2.911 3.548 . 0 0 "[ . 1]" 1
762 1 105 GLU QB 1 106 ILE H 3.300 . 4.700 2.416 2.346 2.492 . 0 0 "[ . 1]" 1
763 1 104 ALA HA 1 107 TYR H 3.000 . 4.100 3.734 3.529 3.825 . 0 0 "[ . 1]" 1
764 1 108 ARG H 1 109 ASP H 2.700 . 3.600 2.730 2.607 2.796 . 0 0 "[ . 1]" 1
765 1 44 GLU H 1 120 THR MG 4.100 . 6.200 4.090 3.261 4.562 . 0 0 "[ . 1]" 1
766 1 29 ALA MB 1 32 ARG H 3.000 . 4.100 4.035 3.993 4.081 . 0 0 "[ . 1]" 1
767 1 55 LEU HB3 1 56 ASP H 3.000 . 4.100 2.413 2.198 2.606 . 0 0 "[ . 1]" 1
768 1 24 ARG HA 1 27 GLU H 3.400 . 4.800 3.262 3.072 3.626 . 0 0 "[ . 1]" 1
769 1 119 MET H 1 120 THR H 4.000 . 6.000 4.357 4.235 4.458 . 0 0 "[ . 1]" 1
770 1 41 VAL HA 1 117 VAL H 3.200 . 4.500 2.644 2.410 2.864 . 0 0 "[ . 1]" 1
771 1 41 VAL H 1 61 LEU HA 3.300 . 4.600 3.511 3.237 3.807 . 0 0 "[ . 1]" 1
772 1 81 LEU QD 1 82 ARG H 2.900 . 3.900 2.903 2.155 3.664 . 0 0 "[ . 1]" 1
773 1 46 TYR QD 1 48 ARG H 7.300 . 13.900 2.420 2.013 3.294 . 0 0 "[ . 1]" 1
774 1 46 TYR QE 1 48 ARG H 3.600 . 5.300 3.738 3.285 4.185 . 0 0 "[ . 1]" 1
775 1 39 ILE HB 1 62 VAL H 3.400 . 4.900 3.792 3.263 4.147 . 0 0 "[ . 1]" 1
776 1 87 PHE QD 1 122 ALA H 4.300 . 6.600 3.550 2.943 4.086 . 0 0 "[ . 1]" 1
777 1 91 VAL H 1 95 SER H 3.100 . 4.300 3.188 2.831 3.483 . 0 0 "[ . 1]" 1
778 1 87 PHE QD 1 88 TYR H 3.000 . 4.100 3.740 3.541 3.922 . 0 0 "[ . 1]" 1
779 1 110 TYR HB2 1 111 LYS H 4.800 . 7.700 3.863 3.754 3.933 . 0 0 "[ . 1]" 1
780 1 55 LEU H 1 121 TYR QE 3.500 . 5.100 4.370 3.765 4.977 . 0 0 "[ . 1]" 1
781 1 126 THR H 1 127 PHE H 3.100 . 4.300 3.157 2.303 3.858 . 0 0 "[ . 1]" 1
782 1 127 PHE H 1 128 GLY H 3.500 . 5.000 3.502 2.011 4.642 . 0 0 "[ . 1]" 1
783 1 56 ASP H 1 80 VAL H 3.600 . 5.200 4.012 3.569 4.712 . 0 0 "[ . 1]" 1
784 1 109 ASP H 1 110 TYR H 2.700 . 3.600 2.314 2.228 2.404 . 0 0 "[ . 1]" 1
785 1 43 VAL H 1 60 PHE QE 3.500 . 5.000 3.749 3.126 4.343 . 0 0 "[ . 1]" 1
786 1 74 ILE HB 1 75 ILE H 3.000 . 4.100 2.553 2.452 2.663 . 0 0 "[ . 1]" 1
787 1 23 ILE HB 1 24 ARG H 3.200 . 4.400 2.921 2.826 3.039 . 0 0 "[ . 1]" 1
788 1 67 THR HA 1 103 MET H 3.700 . 5.400 3.109 2.704 3.389 . 0 0 "[ . 1]" 1
789 1 42 VAL H 1 117 VAL HB 3.600 . 5.300 3.952 3.367 5.408 0.108 5 0 "[ . 1]" 1
790 1 65 GLU H 1 65 GLU QB 2.200 . 2.800 2.364 2.203 2.700 . 0 0 "[ . 1]" 1
791 1 79 MET HB3 1 81 LEU H 3.500 . 5.000 2.762 2.064 3.182 . 0 0 "[ . 1]" 1
792 1 69 THR HA 1 72 LEU H 2.900 . 4.000 3.493 3.202 3.899 . 0 0 "[ . 1]" 1
793 1 41 VAL HB 1 60 PHE H 3.900 . 5.800 4.898 3.593 5.363 . 0 0 "[ . 1]" 1
794 1 91 VAL H 1 95 SER H 3.500 . 5.100 3.248 2.851 3.609 . 0 0 "[ . 1]" 1
795 1 113 GLU HA 1 114 ASP H 3.500 . 5.000 3.503 3.438 3.528 . 0 0 "[ . 1]" 1
796 1 90 LEU HB2 1 120 THR H 5.300 . 8.800 3.627 2.975 5.117 . 0 0 "[ . 1]" 1
797 1 59 LYS HG2 1 60 PHE H 3.500 . 5.100 4.581 4.393 5.103 0.003 5 0 "[ . 1]" 1
798 1 102 THR H 1 105 GLU QG 3.900 . 5.800 3.207 3.065 3.487 . 0 0 "[ . 1]" 1
799 1 67 THR HG1 1 69 THR H 3.200 . 4.500 4.044 3.742 4.432 . 0 0 "[ . 1]" 1
800 1 98 SER H 1 99 MET H 4.100 . 6.200 4.201 3.909 4.559 . 0 0 "[ . 1]" 1
801 1 67 THR HG1 1 70 GLN H 3.300 . 4.600 3.008 2.939 3.099 . 0 0 "[ . 1]" 1
802 1 79 MET HB2 1 81 LEU H 3.000 . 4.100 4.221 3.662 4.715 0.615 10 1 "[ . +]" 1
803 1 49 GLU HG3 1 50 THR H 3.300 . 4.700 3.240 2.517 4.774 0.074 7 0 "[ . 1]" 1
804 1 68 MET QG 1 101 ALA H 3.300 . 4.700 3.870 3.484 4.405 . 0 0 "[ . 1]" 1
805 1 68 MET H 1 101 ALA H 4.200 . 6.400 4.088 3.844 4.325 . 0 0 "[ . 1]" 1
806 1 100 SER HA 1 101 ALA H 2.700 . 3.600 3.310 3.159 3.395 . 0 0 "[ . 1]" 1
807 1 24 ARG HA 1 26 GLU H 3.100 . 4.300 4.125 3.977 4.365 0.065 7 0 "[ . 1]" 1
808 1 21 LEU HA 1 24 ARG H 3.200 . 4.500 3.484 3.309 3.652 . 0 0 "[ . 1]" 1
809 1 23 ILE HA 1 27 GLU H 3.700 . 5.400 3.972 3.696 4.158 . 0 0 "[ . 1]" 1
810 1 81 LEU HB3 1 82 ARG H 3.100 . 4.300 3.122 2.482 3.898 . 0 0 "[ . 1]" 1
811 1 98 SER QB 1 101 ALA H 2.700 . 3.600 3.150 2.745 3.611 0.011 10 0 "[ . 1]" 1
812 1 68 MET H 1 101 ALA MB 3.500 . 5.000 3.957 3.673 4.243 . 0 0 "[ . 1]" 1
813 1 21 LEU HA 1 23 ILE H 4.200 . 6.400 4.571 4.437 4.769 . 0 0 "[ . 1]" 1
814 1 26 GLU HA 1 30 GLY H 2.900 . 3.900 3.963 3.937 4.017 0.117 1 0 "[ . 1]" 1
815 1 24 ARG H 1 26 GLU H 2.800 . 6.000 3.889 3.654 4.135 . 0 0 "[ . 1]" 1
816 1 98 SER H 1 101 ALA MB 3.400 . 4.800 4.134 3.315 4.917 0.117 8 0 "[ . 1]" 1
817 1 25 GLN HA 1 28 VAL H 3.500 . 5.100 3.748 3.294 4.077 . 0 0 "[ . 1]" 1
818 1 25 GLN HA 1 29 ALA H 4.100 . 6.200 4.009 3.806 4.321 . 0 0 "[ . 1]" 1
819 1 20 SER HB2 1 21 LEU H 2.800 . 3.800 2.175 1.970 2.329 . 0 0 "[ . 1]" 1
820 1 20 SER H 1 21 LEU H 3.000 . 6.000 4.553 4.482 4.623 . 0 0 "[ . 1]" 1
821 1 72 LEU HA 1 76 ARG H 4.600 . 7.200 4.208 4.006 4.565 . 0 0 "[ . 1]" 1
822 1 67 THR HB 1 70 GLN H 3.100 . 4.300 3.571 3.352 3.736 . 0 0 "[ . 1]" 1
823 1 70 GLN HA 1 72 LEU H 4.200 . 6.400 4.352 4.262 4.566 . 0 0 "[ . 1]" 1
824 1 76 ARG H 1 78 ARG H 3.600 . 5.200 4.028 3.903 4.163 . 0 0 "[ . 1]" 1
825 1 93 ASN HB2 1 94 LYS H 3.100 . 4.300 4.120 3.872 4.509 0.209 8 0 "[ . 1]" 1
826 1 92 ASN HB3 1 95 SER H 4.000 . 6.000 4.404 3.645 5.662 . 0 0 "[ . 1]" 1
827 1 105 GLU H 1 106 ILE QG 3.400 . 4.800 4.190 4.065 4.345 . 0 0 "[ . 1]" 1
828 1 44 GLU H 1 120 THR HA 3.300 . 4.700 2.795 2.475 3.226 . 0 0 "[ . 1]" 1
829 1 44 GLU H 1 121 TYR QD 3.600 . 5.300 3.923 3.311 4.866 . 0 0 "[ . 1]" 1
830 1 57 LYS HG3 1 59 LYS H 4.400 . 6.800 5.072 2.775 5.914 . 0 0 "[ . 1]" 1
831 1 56 ASP H 1 79 MET HA 3.300 . 4.600 3.957 3.402 4.315 . 0 0 "[ . 1]" 1
832 1 109 ASP H 1 110 TYR H 2.200 . 2.800 2.153 2.101 2.212 . 0 0 "[ . 1]" 1
833 1 49 GLU HA 1 51 PHE H 4.200 . 6.400 3.839 3.373 4.589 . 0 0 "[ . 1]" 1
834 1 88 TYR QD 1 124 GLN H 4.300 . 6.600 4.463 3.795 5.440 . 0 0 "[ . 1]" 1
835 1 87 PHE HA 1 88 TYR H 2.900 . 3.900 2.295 2.239 2.335 . 0 0 "[ . 1]" 1
836 1 16 LYS HA 1 17 GLN H 4.200 . 6.400 2.735 2.151 3.549 . 0 0 "[ . 1]" 1
837 1 25 GLN H 1 27 GLU H 3.700 . 5.400 4.187 3.930 4.529 . 0 0 "[ . 1]" 1
838 1 120 THR H 1 121 TYR H 4.700 . 7.500 4.432 4.298 4.535 . 0 0 "[ . 1]" 1
839 1 44 GLU H 1 121 TYR H 4.500 . 7.000 4.138 3.862 4.265 . 0 0 "[ . 1]" 1
840 1 25 GLN HE21 1 114 ASP QB 3.900 . 5.800 4.889 3.892 6.211 0.411 7 0 "[ . 1]" 1
841 1 25 GLN HE21 1 114 ASP HA 4.800 . 7.700 3.805 2.356 5.220 . 0 0 "[ . 1]" 1
842 1 46 TYR H 1 49 GLU H 5.200 . 8.500 4.719 4.527 5.022 . 0 0 "[ . 1]" 1
843 1 54 PRO HB3 1 55 LEU H 2.700 . 3.600 3.201 2.842 3.752 0.152 7 0 "[ . 1]" 1
844 1 36 PRO HD2 1 37 ASN H 3.300 . 4.700 2.784 2.519 2.940 . 0 0 "[ . 1]" 1
845 1 26 GLU HB3 1 27 GLU H 2.400 . 3.100 2.987 2.482 3.294 0.194 4 0 "[ . 1]" 1
846 1 72 LEU H 1 72 LEU QD 3.200 . 4.500 3.544 3.089 3.698 . 0 0 "[ . 1]" 1
847 1 105 GLU HA 1 107 TYR H 4.000 . 6.000 4.578 4.454 4.675 . 0 0 "[ . 1]" 1
848 1 98 SER HA 1 99 MET H 2.300 . 2.900 2.201 2.145 2.284 . 0 0 "[ . 1]" 1
849 1 27 GLU HB2 1 28 VAL H 2.600 . 3.400 3.167 2.374 3.828 0.428 1 0 "[ . 1]" 1
850 1 21 LEU HA 1 25 GLN H 5.100 . 8.300 4.353 4.174 4.579 . 0 0 "[ . 1]" 1
851 1 20 SER HA 1 23 ILE H 3.600 . 5.300 4.568 4.480 4.646 . 0 0 "[ . 1]" 1
852 1 22 ALA HA 1 23 ILE H 3.100 . 4.300 3.569 3.549 3.589 . 0 0 "[ . 1]" 1
853 1 29 ALA H 1 29 ALA HA 2.300 . 3.000 2.795 2.773 2.809 . 0 0 "[ . 1]" 1
854 1 22 ALA HA 1 24 ARG H 3.000 . 4.100 4.212 4.182 4.231 0.131 6 0 "[ . 1]" 1
855 1 31 ILE H 1 33 ALA H 3.300 . 4.600 3.827 3.760 3.925 . 0 0 "[ . 1]" 1
856 1 55 LEU QD 1 79 MET H 3.900 . 5.800 3.278 3.059 3.483 . 0 0 "[ . 1]" 1
857 1 38 LYS HD3 1 39 ILE H 3.600 . 5.200 4.997 4.121 5.979 0.779 3 1 "[ + . 1]" 1
858 1 50 THR HA 1 51 PHE H 3.200 . 4.500 3.254 2.409 3.594 . 0 0 "[ . 1]" 1
859 1 127 PHE HB3 1 128 GLY H 2.500 . 3.300 2.622 1.829 3.613 0.313 5 0 "[ . 1]" 1
860 1 103 MET QB 1 104 ALA H 2.500 . 3.300 2.816 2.648 2.996 . 0 0 "[ . 1]" 1
861 1 41 VAL QG 1 60 PHE H 3.100 . 4.300 2.734 2.429 3.661 . 0 0 "[ . 1]" 1
862 1 55 LEU QD 1 80 VAL H 2.300 . 2.900 3.000 2.922 3.093 0.193 6 0 "[ . 1]" 1
863 1 105 GLU H 1 107 TYR H 3.800 . 5.600 4.271 4.230 4.311 . 0 0 "[ . 1]" 1
864 1 66 LEU QD 1 71 PHE H 2.500 . 3.300 2.873 2.538 3.251 . 0 0 "[ . 1]" 1
865 1 91 VAL H 1 95 SER HB2 4.000 . 6.000 4.279 3.006 4.950 . 0 0 "[ . 1]" 1
866 1 125 GLU H 1 125 GLU HB2 2.300 . 3.000 2.739 2.444 3.291 0.291 5 0 "[ . 1]" 1
867 1 55 LEU QD 1 57 LYS H 2.900 . 3.900 3.913 3.698 4.012 0.112 9 0 "[ . 1]" 1
868 1 39 ILE H 1 39 ILE MG 2.800 . 3.800 2.985 2.798 3.154 . 0 0 "[ . 1]" 1
869 1 91 VAL MG2 1 95 SER H 3.700 . 5.400 4.446 4.070 4.819 . 0 0 "[ . 1]" 1
870 1 99 MET H 1 99 MET HG3 3.000 . 4.100 2.829 1.839 3.885 0.061 7 0 "[ . 1]" 1
871 1 99 MET H 1 99 MET HG2 3.000 . 4.100 3.076 1.948 4.143 0.043 8 0 "[ . 1]" 1
872 1 99 MET H 1 99 MET HB3 2.900 . 4.000 3.155 2.625 3.620 . 0 0 "[ . 1]" 1
873 1 112 ASP HB2 1 116 PHE H 4.200 . 6.500 4.584 4.176 5.057 . 0 0 "[ . 1]" 1
874 1 116 PHE H 1 116 PHE QD 3.400 . 4.900 2.704 2.363 3.181 . 0 0 "[ . 1]" 1
875 1 66 LEU HG 1 71 PHE H 3.900 . 5.800 4.308 3.175 5.525 . 0 0 "[ . 1]" 1
876 1 85 GLU H 1 85 GLU HB3 2.400 . 3.100 3.313 2.526 4.083 0.983 9 4 "[ - .** +1]" 1
877 1 16 LYS HB3 1 17 GLN H 3.300 . 4.700 4.257 3.578 4.613 . 0 0 "[ . 1]" 1
878 1 43 VAL H 1 43 VAL MG2 2.700 . 3.600 2.388 1.787 2.579 0.013 10 0 "[ . 1]" 1
879 1 70 GLN H 1 70 GLN QG 2.400 . 3.100 2.376 2.146 2.610 . 0 0 "[ . 1]" 1
880 1 68 MET H 1 68 MET HB3 2.900 . 3.900 3.377 2.487 3.623 . 0 0 "[ . 1]" 1
881 1 68 MET H 1 68 MET QG 3.200 . 4.500 2.703 2.203 4.043 . 0 0 "[ . 1]" 1
882 1 77 SER H 1 77 SER HA 2.400 . 3.100 2.867 2.837 2.879 . 0 0 "[ . 1]" 1
883 1 91 VAL H 1 91 VAL HB 3.200 . 4.500 2.629 2.571 2.713 . 0 0 "[ . 1]" 1
884 1 93 ASN H 1 93 ASN HB2 2.900 . 3.900 3.430 3.016 3.594 . 0 0 "[ . 1]" 1
885 1 94 LYS H 1 94 LYS HA 2.500 . 3.300 2.939 2.908 2.948 . 0 0 "[ . 1]" 1
886 1 104 ALA H 1 104 ALA HA 2.700 . 3.600 2.793 2.779 2.808 . 0 0 "[ . 1]" 1
887 1 107 TYR H 1 107 TYR HB3 2.400 . 3.100 2.480 2.376 2.619 . 0 0 "[ . 1]" 1
888 1 110 TYR H 1 110 TYR HA 2.700 . 3.600 2.933 2.921 2.950 . 0 0 "[ . 1]" 1
889 1 120 THR H 1 120 THR MG 3.000 . 4.200 3.687 2.994 3.900 . 0 0 "[ . 1]" 1
890 1 28 VAL H 1 28 VAL QG 2.600 . 3.400 2.372 1.833 2.860 . 0 0 "[ . 1]" 1
891 1 69 THR H 1 69 THR HB 2.300 . 3.000 2.604 2.454 2.675 . 0 0 "[ . 1]" 1
892 1 69 THR H 1 69 THR HA 2.500 . 3.300 2.805 2.760 2.834 . 0 0 "[ . 1]" 1
893 1 71 PHE H 1 71 PHE HB3 2.400 . 3.100 2.549 2.497 2.624 . 0 0 "[ . 1]" 1
894 1 81 LEU H 1 81 LEU QB 2.400 . 3.100 2.519 2.285 3.031 . 0 0 "[ . 1]" 1
895 1 118 TYR H 1 118 TYR QB 3.100 . 4.300 2.408 2.382 2.449 . 0 0 "[ . 1]" 1
896 1 104 ALA H 1 104 ALA MB 2.200 . 2.800 2.223 2.211 2.230 . 0 0 "[ . 1]" 1
897 1 55 LEU HG 1 121 TYR QE 3.300 . 4.600 3.334 2.654 4.601 0.001 10 0 "[ . 1]" 1
898 1 75 ILE MD 1 87 PHE QE 3.300 . 4.600 3.446 2.092 4.427 . 0 0 "[ . 1]" 1
899 1 71 PHE QD 1 75 ILE MD 3.200 . 4.500 3.188 2.642 3.681 . 0 0 "[ . 1]" 1
900 1 40 PRO HB3 1 116 PHE QE 2.500 . 3.300 3.082 2.512 3.356 0.056 10 0 "[ . 1]" 1
901 1 39 ILE HA 1 39 ILE MG 2.700 . 3.600 2.450 2.400 2.496 . 0 0 "[ . 1]" 1
902 1 52 LEU QD 1 87 PHE HB3 2.300 . 3.000 2.492 2.227 2.883 . 0 0 "[ . 1]" 1
903 1 71 PHE QE 1 75 ILE MD 3.000 . 3.800 2.421 2.190 2.701 . 0 0 "[ . 1]" 1
904 1 79 MET ME 1 121 TYR QE 3.100 . 3.800 2.961 2.039 3.805 0.005 10 0 "[ . 1]" 1
905 1 45 ARG HB3 1 121 TYR QE 3.400 . 4.800 3.491 2.213 4.662 . 0 0 "[ . 1]" 1
906 1 79 MET ME 1 121 TYR QD 3.000 . 4.100 3.379 2.585 4.039 . 0 0 "[ . 1]" 1
907 1 66 LEU QD 1 71 PHE QD 2.600 . 3.400 2.070 1.977 2.201 . 0 0 "[ . 1]" 1
908 1 107 TYR QD 1 111 LYS QB 2.800 . 3.800 3.042 2.530 3.538 . 0 0 "[ . 1]" 1
909 1 87 PHE QE 1 121 TYR QD 2.300 . 3.000 3.094 3.072 3.133 0.133 6 0 "[ . 1]" 1
910 1 107 TYR QE 1 111 LYS QB 2.800 . 3.800 3.092 2.565 3.623 . 0 0 "[ . 1]" 1
911 1 109 ASP HB2 1 110 TYR QE 3.000 . 4.100 3.879 3.076 4.146 0.046 4 0 "[ . 1]" 1
912 1 40 PRO HB2 1 116 PHE QE 2.500 . 3.300 2.418 1.998 2.859 . 0 0 "[ . 1]" 1
913 1 46 TYR QD 1 48 ARG HB2 2.900 . 3.900 2.364 1.980 3.593 . 0 0 "[ . 1]" 1
914 1 107 TYR QD 1 117 VAL MG2 3.200 . 4.500 2.205 1.805 3.495 0.095 2 0 "[ . 1]" 1
915 1 42 VAL HB 1 118 TYR QE 2.600 . 3.400 3.426 3.395 3.451 0.051 9 0 "[ . 1]" 1
916 1 62 VAL QG 1 71 PHE QE 2.800 . 3.700 2.315 1.995 2.651 . 0 0 "[ . 1]" 1
917 1 87 PHE QD 1 121 TYR QD 2.700 . 3.600 2.632 2.031 3.724 0.124 10 0 "[ . 1]" 1
918 1 112 ASP HB3 1 118 TYR QE 2.800 . 3.800 2.482 2.254 2.695 . 0 0 "[ . 1]" 1
919 1 46 TYR QE 1 120 THR MG 2.300 . 3.000 3.148 3.061 3.189 0.189 5 0 "[ . 1]" 1
920 1 43 VAL MG2 1 60 PHE QD 2.300 . 2.900 2.274 2.015 3.069 0.169 10 0 "[ . 1]" 1
921 1 62 VAL QG 1 71 PHE QD 2.900 . 4.000 2.239 2.075 2.573 . 0 0 "[ . 1]" 1
922 1 46 TYR QE 1 48 ARG QG 2.400 . 3.100 2.931 2.324 3.226 0.126 1 0 "[ . 1]" 1
923 1 106 ILE MD 1 110 TYR QE 2.000 . 2.500 2.423 2.076 2.561 0.061 3 0 "[ . 1]" 1
924 1 106 ILE MD 1 110 TYR QD 3.000 . 4.100 2.886 2.656 3.094 . 0 0 "[ . 1]" 1
925 1 109 ASP HB3 1 110 TYR QE 2.400 . 3.100 3.115 2.838 3.686 0.586 6 1 "[ .+ 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 97
_Distance_constraint_stats_list.Viol_total 167.290
_Distance_constraint_stats_list.Viol_max 1.387
_Distance_constraint_stats_list.Viol_rms 0.1221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1725
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 20 SER 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.358 0.095 2 0 "[ . 1]"
1 23 ILE 0.000 0.000 . 0 "[ . 1]"
1 24 ARG 0.000 0.000 . 0 "[ . 1]"
1 25 GLN 0.000 0.000 . 0 "[ . 1]"
1 26 GLU 0.358 0.095 2 0 "[ . 1]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 VAL 0.000 0.000 . 0 "[ . 1]"
1 29 ALA 0.125 0.042 8 0 "[ . 1]"
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 31 ILE 0.000 0.000 . 0 "[ . 1]"
1 33 ALA 0.125 0.042 8 0 "[ . 1]"
1 34 LYS 0.000 0.000 . 0 "[ . 1]"
1 35 PHE 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.007 0.004 7 0 "[ . 1]"
1 40 PRO 0.502 0.095 5 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 VAL 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.000 0.000 . 0 "[ . 1]"
1 44 GLU 0.137 0.063 9 0 "[ . 1]"
1 46 TYR 0.028 0.017 2 0 "[ . 1]"
1 56 ASP 0.113 0.113 3 0 "[ . 1]"
1 58 THR 0.000 0.000 . 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 62 VAL 0.007 0.004 7 0 "[ . 1]"
1 63 PRO 0.000 0.000 . 0 "[ . 1]"
1 66 LEU 0.000 0.000 . 0 "[ . 1]"
1 67 THR 0.648 0.125 1 0 "[ . 1]"
1 68 MET 0.000 0.000 . 0 "[ . 1]"
1 69 THR 0.448 0.104 4 0 "[ . 1]"
1 70 GLN 0.659 0.125 1 0 "[ . 1]"
1 71 PHE 0.000 0.000 . 0 "[ . 1]"
1 72 LEU 0.019 0.019 8 0 "[ . 1]"
1 73 SER 0.448 0.104 4 0 "[ . 1]"
1 74 ILE 0.011 0.011 3 0 "[ . 1]"
1 75 ILE 0.000 0.000 . 0 "[ . 1]"
1 76 ARG 0.019 0.019 8 0 "[ . 1]"
1 77 SER 0.000 0.000 . 0 "[ . 1]"
1 78 ARG 0.113 0.113 3 0 "[ . 1]"
1 88 TYR 0.115 0.115 6 0 "[ . 1]"
1 90 LEU 0.000 0.000 . 0 "[ . 1]"
1 91 VAL 0.153 0.062 9 0 "[ . 1]"
1 94 LYS 0.000 0.000 . 0 "[ . 1]"
1 95 SER 0.153 0.062 9 0 "[ . 1]"
1 101 ALA 0.000 0.000 . 0 "[ . 1]"
1 102 THR 11.054 1.387 5 4 "[* +*- 1]"
1 103 MET 0.000 0.000 . 0 "[ . 1]"
1 104 ALA 0.015 0.015 1 0 "[ . 1]"
1 105 GLU 11.262 1.387 5 4 "[* +*- 1]"
1 106 ILE 0.000 0.000 . 0 "[ . 1]"
1 107 TYR 0.500 0.101 3 0 "[ . 1]"
1 108 ARG 0.015 0.015 1 0 "[ . 1]"
1 109 ASP 0.208 0.067 8 0 "[ . 1]"
1 110 TYR 0.000 0.000 . 0 "[ . 1]"
1 111 LYS 0.500 0.101 3 0 "[ . 1]"
1 112 ASP 0.063 0.021 6 0 "[ . 1]"
1 114 ASP 2.224 1.278 9 1 "[ . +1]"
1 115 GLY 0.061 0.021 6 0 "[ . 1]"
1 116 PHE 2.226 1.278 9 1 "[ . +1]"
1 117 VAL 0.502 0.095 5 0 "[ . 1]"
1 119 MET 0.000 0.000 . 0 "[ . 1]"
1 120 THR 0.000 0.000 . 0 "[ . 1]"
1 121 TYR 0.165 0.063 9 0 "[ . 1]"
1 122 ALA 0.115 0.115 6 0 "[ . 1]"
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 20 SER O 1 24 ARG H 1.900 . 2.300 1.931 1.840 2.095 . 0 0 "[ . 1]" 2
2 1 22 ALA O 1 26 GLU H 1.900 . 2.300 2.283 2.100 2.395 0.095 2 0 "[ . 1]" 2
3 1 23 ILE O 1 27 GLU H 1.900 . 2.300 1.818 1.678 1.934 . 0 0 "[ . 1]" 2
4 1 24 ARG O 1 28 VAL H 1.900 . 2.300 1.917 1.827 2.018 . 0 0 "[ . 1]" 2
5 1 25 GLN O 1 29 ALA H 1.900 . 2.300 2.120 1.887 2.290 . 0 0 "[ . 1]" 2
6 1 26 GLU O 1 30 GLY H 1.900 . 2.300 1.881 1.810 1.998 . 0 0 "[ . 1]" 2
7 1 27 GLU O 1 31 ILE H 1.900 . 2.300 1.856 1.755 1.924 . 0 0 "[ . 1]" 2
8 1 29 ALA O 1 33 ALA H 1.900 . 2.300 2.260 2.118 2.342 0.042 8 0 "[ . 1]" 2
9 1 30 GLY O 1 34 LYS H 1.900 . 2.300 2.020 1.835 2.247 . 0 0 "[ . 1]" 2
10 1 31 ILE O 1 35 PHE H 1.900 . 2.300 1.758 1.672 1.874 . 0 0 "[ . 1]" 2
11 1 39 ILE H 1 62 VAL O 1.900 . 2.300 1.725 1.650 1.905 . 0 0 "[ . 1]" 2
12 1 41 VAL H 1 60 PHE O 1.900 . 2.300 1.997 1.801 2.246 . 0 0 "[ . 1]" 2
13 1 42 VAL H 1 117 VAL O 1.900 . 2.300 1.732 1.648 1.817 . 0 0 "[ . 1]" 2
14 1 43 VAL H 1 58 THR O 1.900 . 2.300 1.970 1.760 2.294 . 0 0 "[ . 1]" 2
15 1 46 TYR H 1 121 TYR O 1.900 . 2.300 2.150 1.906 2.317 0.017 2 0 "[ . 1]" 2
16 1 56 ASP H 1 78 ARG O 1.900 . 2.300 2.049 1.816 2.413 0.113 3 0 "[ . 1]" 2
17 1 41 VAL O 1 60 PHE H 1.900 . 2.300 1.898 1.730 2.165 . 0 0 "[ . 1]" 2
18 1 39 ILE O 1 62 VAL H 1.900 . 2.300 2.170 1.920 2.304 0.004 7 0 "[ . 1]" 2
19 1 63 PRO O 1 66 LEU H 1.900 . 2.300 2.038 1.854 2.155 . 0 0 "[ . 1]" 2
20 1 67 THR OG1 1 70 GLN H 1.900 . 2.300 2.365 2.320 2.425 0.125 1 0 "[ . 1]" 2
21 1 68 MET H 1 101 ALA O 1.900 . 2.300 1.974 1.833 2.227 . 0 0 "[ . 1]" 2
22 1 67 THR O 1 71 PHE H 1.900 . 2.300 2.005 1.912 2.120 . 0 0 "[ . 1]" 2
23 1 68 MET O 1 72 LEU H 1.900 . 2.300 1.856 1.778 1.993 . 0 0 "[ . 1]" 2
24 1 69 THR O 1 73 SER H 1.900 . 2.300 2.343 2.277 2.404 0.104 4 0 "[ . 1]" 2
25 1 70 GLN O 1 74 ILE H 1.900 . 2.300 2.183 1.905 2.311 0.011 3 0 "[ . 1]" 2
26 1 71 PHE O 1 75 ILE H 1.900 . 2.300 1.834 1.756 1.944 . 0 0 "[ . 1]" 2
27 1 72 LEU O 1 76 ARG H 1.900 . 2.300 2.105 1.948 2.319 0.019 8 0 "[ . 1]" 2
28 1 73 SER O 1 77 SER H 1.900 . 2.300 2.147 2.019 2.286 . 0 0 "[ . 1]" 2
29 1 88 TYR H 1 122 ALA O 1.900 . 2.300 1.884 1.727 2.415 0.115 6 0 "[ . 1]" 2
30 1 91 VAL O 1 94 LYS H 1.900 . 2.300 2.023 1.819 2.186 . 0 0 "[ . 1]" 2
31 1 91 VAL O 1 95 SER H 1.900 . 2.300 2.208 1.976 2.362 0.062 9 0 "[ . 1]" 2
32 1 102 THR H 1 105 GLU OE1 1.900 . 2.300 2.532 1.716 3.687 1.387 5 4 "[- +** 1]" 2
33 1 66 LEU O 1 103 MET H 1.900 . 2.300 1.852 1.746 2.013 . 0 0 "[ . 1]" 2
34 1 102 THR OG1 1 105 GLU H 1.900 . 2.300 2.407 2.357 2.463 0.163 1 0 "[ . 1]" 2
35 1 103 MET O 1 107 TYR H 1.900 . 2.300 1.794 1.679 1.883 . 0 0 "[ . 1]" 2
36 1 104 ALA O 1 108 ARG H 1.900 . 2.300 2.101 1.900 2.315 0.015 1 0 "[ . 1]" 2
37 1 105 GLU O 1 109 ASP H 1.900 . 2.300 2.286 2.165 2.367 0.067 8 0 "[ . 1]" 2
38 1 106 ILE O 1 110 TYR H 1.900 . 2.300 1.780 1.705 1.914 . 0 0 "[ . 1]" 2
39 1 107 TYR O 1 111 LYS H 1.900 . 2.300 2.350 2.329 2.401 0.101 3 0 "[ . 1]" 2
40 1 112 ASP H 1 116 PHE O 1.900 . 2.300 1.981 1.678 2.302 0.002 2 0 "[ . 1]" 2
41 1 112 ASP O 1 115 GLY H 1.900 . 2.300 2.241 2.003 2.321 0.021 6 0 "[ . 1]" 2
42 1 114 ASP OD1 1 116 PHE H 1.900 . 2.300 2.049 1.784 3.578 1.278 9 1 "[ . +1]" 2
43 1 40 PRO O 1 117 VAL H 1.900 . 2.300 2.310 1.983 2.395 0.095 5 0 "[ . 1]" 2
44 1 42 VAL O 1 119 MET H 1.900 . 2.300 1.801 1.735 1.886 . 0 0 "[ . 1]" 2
45 1 90 LEU O 1 120 THR H 1.900 . 2.300 1.858 1.593 2.257 . 0 0 "[ . 1]" 2
46 1 44 GLU O 1 121 TYR H 1.900 . 2.300 2.218 1.993 2.363 0.063 9 0 "[ . 1]" 2
47 1 88 TYR O 1 122 ALA H 1.900 . 2.300 2.034 1.824 2.224 . 0 0 "[ . 1]" 2
48 1 20 SER OG 1 23 ILE H 1.900 . 2.300 2.217 2.101 2.282 . 0 0 "[ . 1]" 2
49 1 90 LEU H 1 120 THR O 1.900 . 2.300 1.701 1.649 1.760 . 0 0 "[ . 1]" 2
50 1 102 THR O 1 106 ILE H 1.900 . 2.300 1.978 1.894 2.081 . 0 0 "[ . 1]" 2
51 1 27 GLU O 1 31 ILE N 2.900 2.500 3.500 2.823 2.728 2.890 . 0 0 "[ . 1]" 2
52 1 29 ALA O 1 33 ALA N 2.900 2.500 3.500 3.072 2.899 3.190 . 0 0 "[ . 1]" 2
53 1 102 THR N 1 105 GLU OE1 2.900 2.500 3.500 3.497 2.691 4.651 1.151 5 4 "[* +*- 1]" 2
54 1 63 PRO O 1 66 LEU N 2.900 2.500 3.500 2.956 2.770 3.066 . 0 0 "[ . 1]" 2
55 1 26 GLU O 1 30 GLY N 2.900 2.500 3.500 2.825 2.745 2.936 . 0 0 "[ . 1]" 2
56 1 23 ILE O 1 27 GLU N 2.900 2.500 3.500 2.743 2.658 2.863 . 0 0 "[ . 1]" 2
57 1 72 LEU O 1 76 ARG N 2.900 2.500 3.500 3.050 2.898 3.226 . 0 0 "[ . 1]" 2
58 1 102 THR OG1 1 105 GLU N 2.900 2.500 3.500 3.372 3.318 3.432 . 0 0 "[ . 1]" 2
59 1 112 ASP O 1 115 GLY N 2.900 2.500 3.500 3.045 2.817 3.164 . 0 0 "[ . 1]" 2
60 1 25 GLN O 1 29 ALA N 2.900 2.500 3.500 2.984 2.763 3.162 . 0 0 "[ . 1]" 2
61 1 102 THR O 1 106 ILE N 2.900 2.500 3.500 2.950 2.861 3.052 . 0 0 "[ . 1]" 2
62 1 68 MET O 1 72 LEU N 2.900 2.500 3.500 2.773 2.701 2.913 . 0 0 "[ . 1]" 2
63 1 24 ARG O 1 28 VAL N 2.900 2.500 3.500 2.890 2.803 2.987 . 0 0 "[ . 1]" 2
64 1 40 PRO O 1 117 VAL N 2.900 2.500 3.500 3.287 2.957 3.380 . 0 0 "[ . 1]" 2
65 1 88 TYR O 1 122 ALA N 2.900 2.500 3.500 2.983 2.785 3.147 . 0 0 "[ . 1]" 2
66 1 20 SER OG 1 23 ILE N 2.900 2.500 3.500 3.161 3.052 3.219 . 0 0 "[ . 1]" 2
67 1 43 VAL N 1 58 THR O 2.900 2.500 3.500 2.901 2.676 3.253 . 0 0 "[ . 1]" 2
68 1 67 THR OG1 1 70 GLN N 2.900 2.500 3.500 3.299 3.268 3.346 . 0 0 "[ . 1]" 2
69 1 69 THR O 1 73 SER N 2.900 2.500 3.500 3.257 3.179 3.338 . 0 0 "[ . 1]" 2
70 1 106 ILE O 1 110 TYR N 2.900 2.500 3.500 2.719 2.659 2.821 . 0 0 "[ . 1]" 2
71 1 41 VAL O 1 60 PHE N 2.900 2.500 3.500 2.865 2.711 3.126 . 0 0 "[ . 1]" 2
72 1 103 MET O 1 107 TYR N 2.900 2.500 3.500 2.743 2.633 2.815 . 0 0 "[ . 1]" 2
73 1 70 GLN O 1 74 ILE N 2.900 2.500 3.500 3.056 2.838 3.168 . 0 0 "[ . 1]" 2
74 1 107 TYR O 1 111 LYS N 2.900 2.500 3.500 3.018 2.927 3.120 . 0 0 "[ . 1]" 2
75 1 73 SER O 1 77 SER N 2.900 2.500 3.500 2.956 2.854 3.123 . 0 0 "[ . 1]" 2
76 1 56 ASP N 1 78 ARG O 2.900 2.500 3.500 3.006 2.764 3.380 . 0 0 "[ . 1]" 2
77 1 91 VAL O 1 95 SER N 2.900 2.500 3.500 3.086 2.897 3.287 . 0 0 "[ . 1]" 2
78 1 39 ILE O 1 62 VAL N 2.900 2.500 3.500 3.143 2.903 3.285 . 0 0 "[ . 1]" 2
79 1 31 ILE O 1 35 PHE N 2.900 2.500 3.500 2.678 2.615 2.745 . 0 0 "[ . 1]" 2
80 1 22 ALA O 1 26 GLU N 2.900 2.500 3.500 3.126 2.905 3.309 . 0 0 "[ . 1]" 2
81 1 42 VAL N 1 117 VAL O 2.900 2.500 3.500 2.707 2.632 2.790 . 0 0 "[ . 1]" 2
82 1 39 ILE N 1 62 VAL O 2.900 2.500 3.500 2.655 2.599 2.689 . 0 0 "[ . 1]" 2
83 1 67 THR O 1 71 PHE N 2.900 2.500 3.500 2.881 2.798 3.029 . 0 0 "[ . 1]" 2
84 1 88 TYR N 1 122 ALA O 2.900 2.500 3.500 2.778 2.653 3.170 . 0 0 "[ . 1]" 2
85 1 114 ASP OD1 1 116 PHE N 2.900 2.500 3.500 2.995 2.740 4.446 0.946 9 1 "[ . +1]" 2
86 1 71 PHE O 1 75 ILE N 2.900 2.500 3.500 2.785 2.702 2.864 . 0 0 "[ . 1]" 2
87 1 90 LEU O 1 120 THR N 2.900 2.500 3.500 2.788 2.572 3.120 . 0 0 "[ . 1]" 2
88 1 66 LEU O 1 103 MET N 2.900 2.500 3.500 2.805 2.698 2.953 . 0 0 "[ . 1]" 2
89 1 44 GLU O 1 121 TYR N 2.900 2.500 3.500 3.112 2.882 3.284 . 0 0 "[ . 1]" 2
90 1 112 ASP N 1 116 PHE O 2.900 2.500 3.500 2.935 2.650 3.277 . 0 0 "[ . 1]" 2
91 1 68 MET N 1 101 ALA O 2.900 2.500 3.500 2.906 2.760 3.174 . 0 0 "[ . 1]" 2
92 1 46 TYR N 1 121 TYR O 2.900 2.500 3.500 3.062 2.840 3.284 . 0 0 "[ . 1]" 2
93 1 30 GLY O 1 34 LYS N 2.900 2.500 3.500 2.894 2.764 3.008 . 0 0 "[ . 1]" 2
94 1 41 VAL N 1 60 PHE O 2.900 2.500 3.500 2.968 2.772 3.201 . 0 0 "[ . 1]" 2
95 1 105 GLU O 1 109 ASP N 2.900 2.500 3.500 3.116 2.992 3.213 . 0 0 "[ . 1]" 2
96 1 91 VAL O 1 94 LYS N 2.900 2.500 3.500 2.948 2.765 3.081 . 0 0 "[ . 1]" 2
97 1 20 SER O 1 24 ARG N 2.900 2.500 3.500 2.788 2.718 2.881 . 0 0 "[ . 1]" 2
98 1 104 ALA O 1 108 ARG N 2.900 2.500 3.500 3.042 2.819 3.273 . 0 0 "[ . 1]" 2
99 1 42 VAL O 1 119 MET N 2.900 2.500 3.500 2.777 2.714 2.865 . 0 0 "[ . 1]" 2
100 1 90 LEU N 1 120 THR O 2.900 2.500 3.500 2.656 2.587 2.730 . 0 0 "[ . 1]" 2
101 1 91 VAL H 1 95 SER O 1.900 . 2.300 1.830 1.646 2.249 . 0 0 "[ . 1]" 2
102 1 91 VAL N 1 95 SER O 2.900 2.500 3.500 2.788 2.628 3.136 . 0 0 "[ . 1]" 2
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