NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399615 |
1u6f   |
6315 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u6f
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 1372
_Distance_constraint_stats_list.Viol_count 2059
_Distance_constraint_stats_list.Viol_total 1479.114
_Distance_constraint_stats_list.Viol_max 0.259
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_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 6 LEU 0.027 0.015 13 0 "[ . 1 . 2]"
1 7 VAL 0.023 0.012 8 0 "[ . 1 . 2]"
1 13 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 0.015 0.015 11 0 "[ . 1 . 2]"
1 22 LEU 0.015 0.015 11 0 "[ . 1 . 2]"
1 30 ILE 0.048 0.021 11 0 "[ . 1 . 2]"
1 33 THR 0.048 0.021 11 0 "[ . 1 . 2]"
1 34 GLN 0.053 0.050 16 0 "[ . 1 . 2]"
1 36 ASN 0.173 0.066 9 0 "[ . 1 . 2]"
1 37 PRO 0.107 0.066 9 0 "[ . 1 . 2]"
1 38 GLU 0.146 0.063 2 0 "[ . 1 . 2]"
1 39 PRO 0.004 0.004 6 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.360 0.063 2 0 "[ . 1 . 2]"
1 42 LEU 0.020 0.006 10 0 "[ . 1 . 2]"
1 43 ARG 1.213 0.090 6 0 "[ . 1 . 2]"
1 44 ASN 0.959 0.067 15 0 "[ . 1 . 2]"
1 45 LEU 1.359 0.068 8 0 "[ . 1 . 2]"
1 46 MET 0.696 0.066 7 0 "[ . 1 . 2]"
1 47 VAL 2.053 0.068 14 0 "[ . 1 . 2]"
1 48 ASN 4.118 0.227 8 0 "[ . 1 . 2]"
1 49 TYR 3.927 0.102 5 0 "[ . 1 . 2]"
1 50 ILE 2.497 0.227 8 0 "[ . 1 . 2]"
1 52 THR 0.159 0.041 7 0 "[ . 1 . 2]"
1 53 THR 0.143 0.041 7 0 "[ . 1 . 2]"
1 54 VAL 0.005 0.005 11 0 "[ . 1 . 2]"
1 55 ASP 2.932 0.102 5 0 "[ . 1 . 2]"
1 56 GLU 3.200 0.131 16 0 "[ . 1 . 2]"
1 57 VAL 3.220 0.094 7 0 "[ . 1 . 2]"
1 59 LEU 0.721 0.095 12 0 "[ . 1 . 2]"
1 60 ARG 5.276 0.222 2 0 "[ . 1 . 2]"
1 61 GLN 2.068 0.094 7 0 "[ . 1 . 2]"
1 62 LEU 1.676 0.081 1 0 "[ . 1 . 2]"
1 63 PHE 1.542 0.176 2 0 "[ . 1 . 2]"
1 64 GLU 7.307 0.222 2 0 "[ . 1 . 2]"
1 65 ARG 1.675 0.113 10 0 "[ . 1 . 2]"
1 66 TYR 0.680 0.029 3 0 "[ . 1 . 2]"
1 67 GLY 3.380 0.120 12 0 "[ . 1 . 2]"
1 68 PRO 1.886 0.096 3 0 "[ . 1 . 2]"
1 69 ILE 6.180 0.253 2 0 "[ . 1 . 2]"
1 70 GLU 4.573 0.259 4 0 "[ . 1 . 2]"
1 71 SER 0.747 0.137 12 0 "[ . 1 . 2]"
1 72 VAL 7.864 0.259 4 0 "[ . 1 . 2]"
1 73 LYS 7.039 0.253 2 0 "[ . 1 . 2]"
1 74 ILE 4.167 0.131 16 0 "[ . 1 . 2]"
1 75 VAL 1.912 0.068 14 0 "[ . 1 . 2]"
1 76 CYS 0.007 0.005 14 0 "[ . 1 . 2]"
1 77 ASP 0.101 0.013 10 0 "[ . 1 . 2]"
1 78 ARG 0.070 0.058 17 0 "[ . 1 . 2]"
1 79 GLU 0.522 0.058 17 0 "[ . 1 . 2]"
1 80 THR 0.011 0.003 17 0 "[ . 1 . 2]"
1 81 ARG 0.071 0.011 7 0 "[ . 1 . 2]"
1 82 GLN 0.471 0.054 4 0 "[ . 1 . 2]"
1 83 SER 0.021 0.009 7 0 "[ . 1 . 2]"
1 84 ARG 2.649 0.180 17 0 "[ . 1 . 2]"
1 85 GLY 0.634 0.059 17 0 "[ . 1 . 2]"
1 86 TYR 5.037 0.180 17 0 "[ . 1 . 2]"
1 87 GLY 2.333 0.165 7 0 "[ . 1 . 2]"
1 88 PHE 0.487 0.118 18 0 "[ . 1 . 2]"
1 89 VAL 4.138 0.114 14 0 "[ . 1 . 2]"
1 90 LYS 0.173 0.021 6 0 "[ . 1 . 2]"
1 91 PHE 3.289 0.114 18 0 "[ . 1 . 2]"
1 92 GLN 2.786 0.082 19 0 "[ . 1 . 2]"
1 93 SER 0.141 0.015 1 0 "[ . 1 . 2]"
1 94 GLY 0.075 0.025 6 0 "[ . 1 . 2]"
1 96 SER 1.169 0.068 6 0 "[ . 1 . 2]"
1 97 ALA 0.150 0.025 6 0 "[ . 1 . 2]"
1 98 GLN 0.008 0.006 10 0 "[ . 1 . 2]"
1 99 GLN 0.376 0.029 3 0 "[ . 1 . 2]"
1 100 ALA 3.701 0.114 18 0 "[ . 1 . 2]"
1 101 ILE 1.133 0.053 6 0 "[ . 1 . 2]"
1 102 ALA 1.269 0.094 8 0 "[ . 1 . 2]"
1 103 GLY 1.207 0.086 18 0 "[ . 1 . 2]"
1 104 LEU 4.915 0.101 8 0 "[ . 1 . 2]"
1 105 ASN 0.714 0.050 12 0 "[ . 1 . 2]"
1 106 GLY 1.410 0.091 13 0 "[ . 1 . 2]"
1 107 PHE 3.018 0.101 8 0 "[ . 1 . 2]"
1 108 ASN 0.407 0.053 13 0 "[ . 1 . 2]"
1 109 ILE 1.071 0.060 7 0 "[ . 1 . 2]"
1 110 LEU 2.155 0.147 4 0 "[ . 1 . 2]"
1 111 ASN 0.738 0.059 5 0 "[ . 1 . 2]"
1 112 LYS 3.370 0.189 10 0 "[ . 1 . 2]"
1 113 ARG 3.966 0.091 13 0 "[ . 1 . 2]"
1 114 LEU 0.652 0.054 13 0 "[ . 1 . 2]"
1 115 LYS 1.011 0.053 8 0 "[ . 1 . 2]"
1 116 VAL 1.010 0.068 8 0 "[ . 1 . 2]"
1 117 ALA 1.553 0.091 8 0 "[ . 1 . 2]"
1 118 LEU 1.145 0.067 15 0 "[ . 1 . 2]"
1 119 ALA 0.212 0.020 13 0 "[ . 1 . 2]"
1 120 ALA 0.063 0.013 7 0 "[ . 1 . 2]"
1 121 SER 0.028 0.009 17 0 "[ . 1 . 2]"
1 126 PRO 0.015 0.006 8 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ILE 0.019 0.006 8 0 "[ . 1 . 2]"
1 129 ALA 0.004 0.004 14 0 "[ . 1 . 2]"
1 131 ALA 0.021 0.018 15 0 "[ . 1 . 2]"
1 132 VAL 0.021 0.018 15 0 "[ . 1 . 2]"
1 133 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 GLY 0.015 0.014 14 0 "[ . 1 . 2]"
1 138 TYR 0.024 0.018 14 0 "[ . 1 . 2]"
1 139 LEU 0.039 0.018 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 LEU H 1 6 LEU QB 3.200 . 4.000 2.767 2.267 3.357 . 0 0 "[ . 1 . 2]" 1
2 1 6 LEU H 1 6 LEU MD1 4.000 . 5.000 3.833 2.145 4.801 . 0 0 "[ . 1 . 2]" 1
3 1 6 LEU H 1 6 LEU MD2 4.000 . 5.000 4.090 2.186 4.747 . 0 0 "[ . 1 . 2]" 1
4 1 6 LEU H 1 6 LEU HG 3.200 . 4.000 3.375 2.195 4.015 0.015 13 0 "[ . 1 . 2]" 1
5 1 6 LEU H 1 7 VAL HB 4.500 . 6.000 5.382 4.516 6.012 0.012 8 0 "[ . 1 . 2]" 1
6 1 7 VAL H 1 7 VAL HB 4.000 . 5.000 3.390 2.613 3.804 . 0 0 "[ . 1 . 2]" 1
7 1 7 VAL H 1 7 VAL MG1 3.200 . 4.000 3.455 1.965 4.004 0.004 17 0 "[ . 1 . 2]" 1
8 1 7 VAL H 1 7 VAL MG2 4.000 . 5.000 2.733 1.944 4.017 . 0 0 "[ . 1 . 2]" 1
9 1 13 TYR H 1 13 TYR QB 3.200 . 4.000 2.636 2.136 3.320 . 0 0 "[ . 1 . 2]" 1
10 1 13 TYR H 1 14 GLY H 4.000 . 5.000 4.085 2.804 4.588 . 0 0 "[ . 1 . 2]" 1
11 1 14 GLY H 1 15 GLN H 4.600 . 6.000 3.704 2.006 4.632 . 0 0 "[ . 1 . 2]" 1
12 1 19 LEU H 1 19 LEU MD1 4.000 . 5.000 3.815 1.934 4.692 . 0 0 "[ . 1 . 2]" 1
13 1 21 GLN H 1 22 LEU MD2 2.900 . 6.000 5.255 4.220 6.015 0.015 11 0 "[ . 1 . 2]" 1
14 1 22 LEU H 1 22 LEU QB 3.200 . 4.000 2.863 2.067 3.426 . 0 0 "[ . 1 . 2]" 1
15 1 22 LEU H 1 22 LEU MD1 4.000 . 5.000 3.510 2.008 4.750 . 0 0 "[ . 1 . 2]" 1
16 1 22 LEU H 1 22 LEU MD2 4.000 . 5.000 3.746 1.896 4.505 . 0 0 "[ . 1 . 2]" 1
17 1 22 LEU H 1 22 LEU HG 3.200 . 4.000 3.033 2.124 3.887 . 0 0 "[ . 1 . 2]" 1
18 1 30 ILE HA 1 33 THR H 3.000 . 6.000 5.218 3.434 6.021 0.021 11 0 "[ . 1 . 2]" 1
19 1 34 GLN HA 1 36 ASN HA 3.400 . 6.000 5.683 4.773 6.050 0.050 16 0 "[ . 1 . 2]" 1
20 1 36 ASN HA 1 36 ASN HB2 2.800 . 3.800 2.929 2.724 3.026 . 0 0 "[ . 1 . 2]" 1
21 1 36 ASN HA 1 36 ASN HB3 2.800 . 3.800 2.719 2.428 2.950 . 0 0 "[ . 1 . 2]" 1
22 1 36 ASN HA 1 37 PRO QB 3.800 . 5.600 4.882 4.504 5.625 0.025 9 0 "[ . 1 . 2]" 1
23 1 36 ASN HA 1 37 PRO HG2 5.600 . 6.000 4.662 4.163 6.066 0.066 9 0 "[ . 1 . 2]" 1
24 1 36 ASN HB2 1 37 PRO HA 4.500 . 6.000 5.509 4.995 6.007 0.007 15 0 "[ . 1 . 2]" 1
25 1 36 ASN HA 1 38 GLU H 3.500 . 5.000 4.464 3.500 5.009 0.009 8 0 "[ . 1 . 2]" 1
26 1 36 ASN HB3 1 38 GLU H 3.600 . 5.300 4.026 3.033 5.109 . 0 0 "[ . 1 . 2]" 1
27 1 37 PRO HA 1 38 GLU H 2.300 . 2.900 2.548 2.336 2.904 0.004 2 0 "[ . 1 . 2]" 1
28 1 38 GLU HA 1 38 GLU HG3 3.200 . 4.500 3.638 2.952 3.886 . 0 0 "[ . 1 . 2]" 1
29 1 38 GLU HA 1 38 GLU HG2 2.700 . 3.600 2.691 2.225 3.128 . 0 0 "[ . 1 . 2]" 1
30 1 38 GLU HA 1 38 GLU HB3 2.400 . 3.100 2.489 2.376 2.670 . 0 0 "[ . 1 . 2]" 1
31 1 38 GLU HA 1 38 GLU HB2 2.800 . 3.800 3.013 2.974 3.024 . 0 0 "[ . 1 . 2]" 1
32 1 38 GLU H 1 38 GLU HB2 2.400 . 3.100 2.480 2.237 2.663 . 0 0 "[ . 1 . 2]" 1
33 1 38 GLU H 1 38 GLU HG2 2.600 . 3.500 2.814 1.999 3.524 0.024 2 0 "[ . 1 . 2]" 1
34 1 38 GLU H 1 38 GLU HG3 2.900 . 4.000 3.335 2.003 4.004 0.004 16 0 "[ . 1 . 2]" 1
35 1 38 GLU H 1 38 GLU QB 3.000 . 4.100 2.437 2.213 2.599 . 0 0 "[ . 1 . 2]" 1
36 1 38 GLU HA 1 39 PRO HD3 2.200 . 2.800 2.204 1.925 2.804 0.004 6 0 "[ . 1 . 2]" 1
37 1 38 GLU H 1 39 PRO HD3 4.400 . 6.000 4.608 3.933 5.082 . 0 0 "[ . 1 . 2]" 1
38 1 38 GLU HA 1 41 VAL MG2 3.600 . 5.200 4.449 3.842 5.213 0.013 2 0 "[ . 1 . 2]" 1
39 1 38 GLU HB2 1 41 VAL H 3.200 . 4.500 3.587 2.628 4.453 . 0 0 "[ . 1 . 2]" 1
40 1 38 GLU HG3 1 41 VAL H 2.600 . 6.000 5.580 4.663 6.063 0.063 2 0 "[ . 1 . 2]" 1
41 1 38 GLU H 1 41 VAL MG1 3.800 . 5.600 4.568 3.184 5.603 0.003 6 0 "[ . 1 . 2]" 1
42 1 39 PRO HA 1 41 VAL H 3.700 . 5.400 3.896 3.502 4.480 . 0 0 "[ . 1 . 2]" 1
43 1 40 ASP H 1 41 VAL MG2 4.600 . 6.000 4.030 3.779 5.914 . 0 0 "[ . 1 . 2]" 1
44 1 41 VAL H 1 41 VAL HB 4.000 . 5.000 3.465 2.419 3.699 . 0 0 "[ . 1 . 2]" 1
45 1 41 VAL H 1 41 VAL MG1 3.200 . 4.000 2.735 1.846 3.821 . 0 0 "[ . 1 . 2]" 1
46 1 41 VAL H 1 41 VAL MG2 3.200 . 4.000 2.169 1.935 3.836 . 0 0 "[ . 1 . 2]" 1
47 1 41 VAL HA 1 42 LEU H 4.000 . 5.000 2.809 2.333 3.516 . 0 0 "[ . 1 . 2]" 1
48 1 41 VAL HB 1 42 LEU HA 3.400 . 6.000 4.836 4.135 5.873 . 0 0 "[ . 1 . 2]" 1
49 1 41 VAL HB 1 42 LEU H 3.800 . 5.600 4.292 2.715 4.612 . 0 0 "[ . 1 . 2]" 1
50 1 41 VAL H 1 42 LEU H 3.100 . 4.300 3.114 2.261 3.845 . 0 0 "[ . 1 . 2]" 1
51 1 41 VAL H 1 42 LEU HG 3.500 . 5.100 4.105 3.645 4.555 . 0 0 "[ . 1 . 2]" 1
52 1 41 VAL HA 1 43 ARG H 4.000 . 5.000 3.851 3.376 4.701 . 0 0 "[ . 1 . 2]" 1
53 1 41 VAL MG2 1 43 ARG H 3.700 . 5.400 5.206 4.511 5.435 0.035 11 0 "[ . 1 . 2]" 1
54 1 41 VAL HA 1 44 ASN HA 5.300 . 6.000 5.900 5.535 6.019 0.019 15 0 "[ . 1 . 2]" 1
55 1 41 VAL MG2 1 119 ALA H 3.500 . 6.000 5.591 3.728 6.016 0.016 6 0 "[ . 1 . 2]" 1
56 1 41 VAL MG2 1 120 ALA HA 3.300 . 4.700 3.198 2.027 4.302 . 0 0 "[ . 1 . 2]" 1
57 1 41 VAL MG2 1 120 ALA MB 2.400 . 6.000 3.189 1.685 4.977 . 0 0 "[ . 1 . 2]" 1
58 1 41 VAL MG2 1 120 ALA H 3.700 . 5.400 4.115 2.896 5.409 0.009 6 0 "[ . 1 . 2]" 1
59 1 41 VAL MG2 1 121 SER HA 2.600 . 6.000 4.739 2.220 6.009 0.009 17 0 "[ . 1 . 2]" 1
60 1 41 VAL MG2 1 121 SER HB2 2.900 . 6.000 5.167 2.867 6.002 0.002 2 0 "[ . 1 . 2]" 1
61 1 42 LEU HA 1 42 LEU HG 2.500 . 3.300 2.803 2.480 3.222 . 0 0 "[ . 1 . 2]" 1
62 1 42 LEU HA 1 42 LEU HB2 2.800 . 3.800 2.990 2.955 3.018 . 0 0 "[ . 1 . 2]" 1
63 1 42 LEU HB2 1 42 LEU MD2 3.000 . 4.200 3.164 3.084 3.196 . 0 0 "[ . 1 . 2]" 1
64 1 42 LEU H 1 42 LEU MD1 4.000 . 5.000 3.674 2.991 4.092 . 0 0 "[ . 1 . 2]" 1
65 1 42 LEU H 1 42 LEU MD2 4.000 . 5.000 3.942 3.494 4.316 . 0 0 "[ . 1 . 2]" 1
66 1 42 LEU H 1 42 LEU HG 3.200 . 4.000 2.928 2.059 3.453 . 0 0 "[ . 1 . 2]" 1
67 1 42 LEU HB2 1 43 ARG HA 4.500 . 6.000 4.478 4.008 4.755 . 0 0 "[ . 1 . 2]" 1
68 1 42 LEU HB2 1 43 ARG H 3.400 . 4.800 2.800 2.437 3.159 . 0 0 "[ . 1 . 2]" 1
69 1 42 LEU MD1 1 43 ARG H 2.900 . 6.000 4.508 4.057 4.943 . 0 0 "[ . 1 . 2]" 1
70 1 42 LEU HG 1 43 ARG H 3.900 . 5.800 4.571 3.771 4.930 . 0 0 "[ . 1 . 2]" 1
71 1 42 LEU H 1 43 ARG HG2 4.100 . 6.000 3.753 3.219 4.929 . 0 0 "[ . 1 . 2]" 1
72 1 42 LEU H 1 43 ARG H 3.000 . 4.100 2.286 2.024 2.634 . 0 0 "[ . 1 . 2]" 1
73 1 42 LEU H 1 44 ASN H 4.000 . 5.000 3.802 3.310 4.140 . 0 0 "[ . 1 . 2]" 1
74 1 42 LEU H 1 44 ASN HB2 3.700 . 5.400 4.993 4.275 5.405 0.005 11 0 "[ . 1 . 2]" 1
75 1 42 LEU H 1 94 GLY HA2 5.000 . 6.000 3.982 3.679 4.542 . 0 0 "[ . 1 . 2]" 1
76 1 42 LEU HB2 1 98 GLN H 2.900 . 6.000 5.705 4.707 6.006 0.006 10 0 "[ . 1 . 2]" 1
77 1 42 LEU HA 1 118 LEU HG 3.300 . 6.000 2.996 1.957 3.667 . 0 0 "[ . 1 . 2]" 1
78 1 42 LEU HB2 1 118 LEU MD1 3.200 . 6.000 5.012 4.417 5.524 . 0 0 "[ . 1 . 2]" 1
79 1 42 LEU HB2 1 118 LEU HG 4.400 . 6.000 5.420 4.748 6.005 0.005 2 0 "[ . 1 . 2]" 1
80 1 43 ARG HA 1 43 ARG HG2 2.900 . 3.900 3.634 3.548 3.990 0.090 6 0 "[ . 1 . 2]" 1
81 1 43 ARG HA 1 43 ARG HB2 2.700 . 3.600 2.494 2.415 2.827 . 0 0 "[ . 1 . 2]" 1
82 1 43 ARG H 1 43 ARG HG2 2.900 . 4.000 2.233 1.980 3.321 . 0 0 "[ . 1 . 2]" 1
83 1 43 ARG H 1 43 ARG HB2 3.900 . 5.800 3.572 3.307 3.598 . 0 0 "[ . 1 . 2]" 1
84 1 43 ARG HA 1 44 ASN HB2 5.200 . 6.000 5.512 5.410 5.572 . 0 0 "[ . 1 . 2]" 1
85 1 43 ARG HB2 1 44 ASN H 3.200 . 4.500 4.113 3.830 4.344 . 0 0 "[ . 1 . 2]" 1
86 1 43 ARG H 1 44 ASN H 4.000 . 5.000 2.725 2.651 2.809 . 0 0 "[ . 1 . 2]" 1
87 1 43 ARG H 1 44 ASN HB2 3.900 . 5.800 4.567 4.396 4.800 . 0 0 "[ . 1 . 2]" 1
88 1 43 ARG H 1 44 ASN HB3 4.100 . 6.000 5.585 5.375 5.673 . 0 0 "[ . 1 . 2]" 1
89 1 43 ARG HB2 1 45 LEU H 3.300 . 6.000 5.477 5.108 5.990 . 0 0 "[ . 1 . 2]" 1
90 1 43 ARG HG2 1 90 LYS HG3 2.900 . 3.900 3.280 2.325 3.921 0.021 6 0 "[ . 1 . 2]" 1
91 1 43 ARG HG2 1 90 LYS HG2 3.500 . 5.000 4.335 3.542 5.001 0.001 8 0 "[ . 1 . 2]" 1
92 1 43 ARG HA 1 91 PHE HB2 3.500 . 5.000 2.820 2.618 3.007 . 0 0 "[ . 1 . 2]" 1
93 1 43 ARG HB2 1 91 PHE HA 4.100 . 6.000 4.125 3.682 4.501 . 0 0 "[ . 1 . 2]" 1
94 1 43 ARG HB2 1 91 PHE HB2 3.400 . 4.800 2.477 1.994 3.143 0.006 10 0 "[ . 1 . 2]" 1
95 1 43 ARG HB2 1 91 PHE H 3.200 . 4.500 2.501 2.047 2.925 . 0 0 "[ . 1 . 2]" 1
96 1 43 ARG HB2 1 93 SER HA 3.800 . 5.600 4.462 3.849 5.112 . 0 0 "[ . 1 . 2]" 1
97 1 43 ARG HG2 1 93 SER HA 3.300 . 6.000 5.098 2.710 5.789 . 0 0 "[ . 1 . 2]" 1
98 1 43 ARG HA 1 94 GLY HA3 3.300 . 6.000 4.404 4.176 4.681 . 0 0 "[ . 1 . 2]" 1
99 1 43 ARG H 1 96 SER H 4.600 . 6.000 6.027 6.020 6.068 0.068 6 0 "[ . 1 . 2]" 1
100 1 43 ARG HA 1 97 ALA MB 4.000 . 5.000 1.926 1.830 2.079 . 0 0 "[ . 1 . 2]" 1
101 1 43 ARG HA 1 97 ALA HA 4.400 . 6.000 3.612 3.453 3.873 . 0 0 "[ . 1 . 2]" 1
102 1 43 ARG HA 1 97 ALA H 3.900 . 5.800 3.251 3.088 3.418 . 0 0 "[ . 1 . 2]" 1
103 1 43 ARG HB2 1 97 ALA MB 3.100 . 4.300 4.052 3.792 4.310 0.010 6 0 "[ . 1 . 2]" 1
104 1 43 ARG HB2 1 97 ALA H 3.800 . 5.600 4.782 4.309 5.273 . 0 0 "[ . 1 . 2]" 1
105 1 43 ARG HA 1 118 LEU HG 2.900 . 6.000 6.020 6.003 6.036 0.036 19 0 "[ . 1 . 2]" 1
106 1 43 ARG HA 1 118 LEU MD1 3.000 . 6.000 4.131 3.713 4.683 . 0 0 "[ . 1 . 2]" 1
107 1 44 ASN HA 1 44 ASN HB2 2.600 . 3.500 2.712 2.639 2.738 . 0 0 "[ . 1 . 2]" 1
108 1 44 ASN H 1 44 ASN HB3 3.000 . 4.100 2.962 2.825 3.011 . 0 0 "[ . 1 . 2]" 1
109 1 44 ASN H 1 44 ASN HD22 4.100 . 6.000 5.676 5.604 5.823 . 0 0 "[ . 1 . 2]" 1
110 1 44 ASN HA 1 45 LEU MD1 4.800 . 6.000 5.215 4.893 5.446 . 0 0 "[ . 1 . 2]" 1
111 1 44 ASN HB3 1 45 LEU H 4.300 . 6.000 4.125 3.857 4.219 . 0 0 "[ . 1 . 2]" 1
112 1 44 ASN HB2 1 45 LEU H 4.400 . 6.000 4.601 4.487 4.630 . 0 0 "[ . 1 . 2]" 1
113 1 44 ASN H 1 45 LEU H 4.000 . 5.000 4.335 4.310 4.517 . 0 0 "[ . 1 . 2]" 1
114 1 44 ASN HD22 1 46 MET H 4.500 . 6.000 5.872 5.251 6.016 0.016 5 0 "[ . 1 . 2]" 1
115 1 44 ASN HA 1 89 VAL H 4.000 . 5.000 4.934 4.708 5.020 0.020 8 0 "[ . 1 . 2]" 1
116 1 44 ASN HA 1 90 LYS HG2 3.900 . 5.800 4.645 4.263 5.013 . 0 0 "[ . 1 . 2]" 1
117 1 44 ASN HA 1 90 LYS HG3 3.100 . 4.300 3.061 2.689 3.808 . 0 0 "[ . 1 . 2]" 1
118 1 44 ASN HA 1 90 LYS HB2 3.100 . 4.300 3.519 3.104 4.083 . 0 0 "[ . 1 . 2]" 1
119 1 44 ASN HA 1 90 LYS HB3 4.000 . 6.000 4.777 4.457 5.283 . 0 0 "[ . 1 . 2]" 1
120 1 44 ASN HA 1 90 LYS HE2 5.300 . 6.000 4.911 2.360 6.001 0.001 3 0 "[ . 1 . 2]" 1
121 1 44 ASN HA 1 90 LYS HA 2.300 . 3.000 2.473 2.131 2.963 . 0 0 "[ . 1 . 2]" 1
122 1 44 ASN HA 1 90 LYS H 4.500 . 6.000 4.804 4.540 5.165 . 0 0 "[ . 1 . 2]" 1
123 1 44 ASN HB3 1 90 LYS HA 5.100 . 6.000 5.427 5.072 5.926 . 0 0 "[ . 1 . 2]" 1
124 1 44 ASN HB2 1 90 LYS HA 4.300 . 6.000 4.927 4.664 5.275 . 0 0 "[ . 1 . 2]" 1
125 1 44 ASN HB2 1 90 LYS HD2 3.800 . 5.600 3.911 2.728 5.607 0.007 11 0 "[ . 1 . 2]" 1
126 1 44 ASN HB2 1 90 LYS HG2 4.300 . 6.000 5.679 5.058 6.010 0.010 14 0 "[ . 1 . 2]" 1
127 1 44 ASN H 1 90 LYS HA 4.500 . 6.000 4.585 4.342 4.807 . 0 0 "[ . 1 . 2]" 1
128 1 44 ASN HA 1 91 PHE H 4.000 . 5.000 3.864 3.484 4.352 . 0 0 "[ . 1 . 2]" 1
129 1 44 ASN H 1 97 ALA MB 3.500 . 5.000 3.981 3.816 4.143 . 0 0 "[ . 1 . 2]" 1
130 1 44 ASN H 1 118 LEU MD1 3.100 . 4.300 3.452 2.345 4.293 . 0 0 "[ . 1 . 2]" 1
131 1 44 ASN H 1 118 LEU HA 4.000 . 5.000 5.033 5.007 5.067 0.067 15 0 "[ . 1 . 2]" 1
132 1 44 ASN H 1 119 ALA H 4.100 . 6.000 4.749 4.373 5.506 . 0 0 "[ . 1 . 2]" 1
133 1 44 ASN HB3 1 120 ALA HA 4.000 . 6.000 5.273 4.178 6.013 0.013 7 0 "[ . 1 . 2]" 1
134 1 45 LEU HA 1 45 LEU MD1 2.400 . 6.000 2.593 1.864 3.896 . 0 0 "[ . 1 . 2]" 1
135 1 45 LEU QB 1 45 LEU MD2 2.300 . 3.000 2.275 2.197 2.344 . 0 0 "[ . 1 . 2]" 1
136 1 45 LEU H 1 45 LEU MD1 4.000 . 5.000 3.969 3.603 4.163 . 0 0 "[ . 1 . 2]" 1
137 1 45 LEU H 1 45 LEU MD2 4.000 . 5.000 3.108 2.376 4.251 . 0 0 "[ . 1 . 2]" 1
138 1 45 LEU H 1 45 LEU HG 3.400 . 4.900 3.905 2.591 4.414 . 0 0 "[ . 1 . 2]" 1
139 1 45 LEU MD1 1 46 MET H 3.800 . 5.600 3.792 2.910 5.263 . 0 0 "[ . 1 . 2]" 1
140 1 45 LEU MD2 1 46 MET H 4.100 . 6.000 4.029 3.163 4.564 . 0 0 "[ . 1 . 2]" 1
141 1 45 LEU H 1 46 MET H 4.000 . 5.000 4.340 4.267 4.382 . 0 0 "[ . 1 . 2]" 1
142 1 45 LEU QB 1 47 VAL H 3.200 . 4.500 4.512 4.434 4.561 0.061 2 0 "[ . 1 . 2]" 1
143 1 45 LEU HA 1 89 VAL H 4.300 . 6.000 4.681 4.578 4.816 . 0 0 "[ . 1 . 2]" 1
144 1 45 LEU QB 1 89 VAL HB 2.900 . 4.000 3.767 3.387 4.061 0.061 16 0 "[ . 1 . 2]" 1
145 1 45 LEU QB 1 89 VAL H 3.400 . 4.900 3.142 2.808 3.363 . 0 0 "[ . 1 . 2]" 1
146 1 45 LEU HB2 1 89 VAL MG2 3.400 . 4.800 2.372 1.992 4.105 0.008 11 0 "[ . 1 . 2]" 1
147 1 45 LEU MD1 1 89 VAL MG2 2.500 . 6.000 3.880 2.576 5.951 . 0 0 "[ . 1 . 2]" 1
148 1 45 LEU H 1 89 VAL H 4.000 . 5.000 3.263 3.057 3.386 . 0 0 "[ . 1 . 2]" 1
149 1 45 LEU H 1 89 VAL HA 4.000 . 6.000 4.871 4.643 5.011 . 0 0 "[ . 1 . 2]" 1
150 1 45 LEU QB 1 90 LYS H 4.300 . 6.000 5.126 5.018 5.248 . 0 0 "[ . 1 . 2]" 1
151 1 45 LEU H 1 90 LYS HB2 4.100 . 6.000 4.448 4.131 4.762 . 0 0 "[ . 1 . 2]" 1
152 1 45 LEU H 1 90 LYS HA 4.000 . 5.000 2.810 2.610 3.118 . 0 0 "[ . 1 . 2]" 1
153 1 45 LEU H 1 90 LYS H 4.200 . 6.000 4.508 4.296 4.711 . 0 0 "[ . 1 . 2]" 1
154 1 45 LEU MD1 1 91 PHE H 4.200 . 6.000 4.988 3.384 6.006 0.006 13 0 "[ . 1 . 2]" 1
155 1 45 LEU HG 1 91 PHE H 3.900 . 5.800 4.870 3.416 5.433 . 0 0 "[ . 1 . 2]" 1
156 1 45 LEU H 1 91 PHE H 4.000 . 5.000 3.898 3.548 4.214 . 0 0 "[ . 1 . 2]" 1
157 1 45 LEU HA 1 97 ALA MB 4.700 . 6.000 4.859 4.580 5.237 . 0 0 "[ . 1 . 2]" 1
158 1 45 LEU MD1 1 97 ALA MB 2.400 . 6.000 3.040 2.646 3.437 . 0 0 "[ . 1 . 2]" 1
159 1 45 LEU MD1 1 101 ILE HA 3.400 . 4.800 3.942 3.221 4.807 0.007 12 0 "[ . 1 . 2]" 1
160 1 45 LEU MD1 1 101 ILE HB 3.100 . 6.000 4.814 4.132 5.735 . 0 0 "[ . 1 . 2]" 1
161 1 45 LEU MD1 1 101 ILE H 3.100 . 4.300 3.507 3.155 3.893 . 0 0 "[ . 1 . 2]" 1
162 1 45 LEU HG 1 101 ILE H 4.400 . 6.000 4.906 4.302 5.876 . 0 0 "[ . 1 . 2]" 1
163 1 45 LEU HA 1 116 VAL HB 3.700 . 5.400 5.430 5.401 5.468 0.068 8 0 "[ . 1 . 2]" 1
164 1 45 LEU HA 1 116 VAL MG1 3.300 . 4.600 3.011 2.865 3.149 . 0 0 "[ . 1 . 2]" 1
165 1 45 LEU QB 1 116 VAL HB 3.400 . 4.900 4.320 4.134 4.553 . 0 0 "[ . 1 . 2]" 1
166 1 45 LEU QB 1 116 VAL MG1 3.000 . 4.200 1.941 1.851 2.111 . 0 0 "[ . 1 . 2]" 1
167 1 45 LEU HA 1 118 LEU HB3 4.500 . 6.000 5.046 4.616 5.573 . 0 0 "[ . 1 . 2]" 1
168 1 45 LEU HA 1 118 LEU HA 2.300 . 3.000 2.679 2.535 2.889 . 0 0 "[ . 1 . 2]" 1
169 1 45 LEU HA 1 118 LEU MD2 3.500 . 6.000 4.249 2.812 4.918 . 0 0 "[ . 1 . 2]" 1
170 1 45 LEU HA 1 118 LEU H 4.200 . 6.000 4.576 4.348 4.814 . 0 0 "[ . 1 . 2]" 1
171 1 45 LEU H 1 118 LEU HA 4.200 . 6.000 4.859 4.627 5.014 . 0 0 "[ . 1 . 2]" 1
172 1 45 LEU HA 1 119 ALA H 4.000 . 5.000 3.736 3.311 4.072 . 0 0 "[ . 1 . 2]" 1
173 1 45 LEU HA 1 119 ALA MB 3.900 . 5.800 4.673 4.163 5.044 . 0 0 "[ . 1 . 2]" 1
174 1 45 LEU HA 1 119 ALA HA 5.200 . 6.000 5.948 5.630 6.010 0.010 19 0 "[ . 1 . 2]" 1
175 1 45 LEU QB 1 119 ALA H 3.100 . 6.000 5.595 5.222 5.891 . 0 0 "[ . 1 . 2]" 1
176 1 45 LEU MD2 1 119 ALA H 3.200 . 6.000 4.744 4.447 5.132 . 0 0 "[ . 1 . 2]" 1
177 1 45 LEU H 1 119 ALA H 4.000 . 5.000 4.826 4.509 5.014 0.014 7 0 "[ . 1 . 2]" 1
178 1 46 MET H 1 46 MET HG2 3.900 . 5.800 4.416 4.217 4.607 . 0 0 "[ . 1 . 2]" 1
179 1 46 MET H 1 46 MET HB3 3.100 . 4.300 2.586 2.338 2.816 . 0 0 "[ . 1 . 2]" 1
180 1 46 MET HA 1 47 VAL H 4.000 . 5.000 2.165 2.147 2.188 . 0 0 "[ . 1 . 2]" 1
181 1 46 MET HA 1 47 VAL MG1 4.700 . 6.000 3.576 3.421 3.781 . 0 0 "[ . 1 . 2]" 1
182 1 46 MET HB2 1 47 VAL H 4.100 . 6.000 4.460 4.337 4.570 . 0 0 "[ . 1 . 2]" 1
183 1 46 MET HG2 1 47 VAL HA 4.200 . 6.000 4.661 4.021 5.416 . 0 0 "[ . 1 . 2]" 1
184 1 46 MET HG2 1 47 VAL H 3.300 . 4.600 3.482 3.011 4.002 . 0 0 "[ . 1 . 2]" 1
185 1 46 MET H 1 47 VAL H 4.000 . 5.000 4.314 4.275 4.343 . 0 0 "[ . 1 . 2]" 1
186 1 46 MET HA 1 48 ASN H 4.100 . 6.000 6.018 5.906 6.066 0.066 7 0 "[ . 1 . 2]" 1
187 1 46 MET HA 1 87 GLY H 4.100 . 6.000 5.495 5.222 5.724 . 0 0 "[ . 1 . 2]" 1
188 1 46 MET HA 1 88 PHE HA 2.500 . 3.300 2.390 2.212 2.586 . 0 0 "[ . 1 . 2]" 1
189 1 46 MET HB2 1 88 PHE HA 4.100 . 6.000 4.713 4.310 5.003 . 0 0 "[ . 1 . 2]" 1
190 1 46 MET HG2 1 88 PHE HA 4.900 . 6.000 4.560 3.498 5.552 . 0 0 "[ . 1 . 2]" 1
191 1 46 MET HA 1 89 VAL H 4.000 . 5.000 3.607 3.342 3.852 . 0 0 "[ . 1 . 2]" 1
192 1 46 MET HB2 1 89 VAL H 3.100 . 6.000 5.672 5.226 5.908 . 0 0 "[ . 1 . 2]" 1
193 1 46 MET H 1 116 VAL MG1 3.600 . 5.300 3.038 2.817 3.301 . 0 0 "[ . 1 . 2]" 1
194 1 46 MET HB3 1 117 ALA H 3.400 . 4.900 2.654 2.472 2.923 . 0 0 "[ . 1 . 2]" 1
195 1 46 MET HB2 1 117 ALA HA 4.100 . 6.000 5.708 5.271 6.020 0.020 6 0 "[ . 1 . 2]" 1
196 1 46 MET HB2 1 117 ALA H 4.000 . 6.000 4.071 3.809 4.295 . 0 0 "[ . 1 . 2]" 1
197 1 46 MET H 1 117 ALA H 4.000 . 5.000 2.714 2.580 2.842 . 0 0 "[ . 1 . 2]" 1
198 1 46 MET H 1 118 LEU QB 3.900 . 5.800 5.114 5.001 5.300 . 0 0 "[ . 1 . 2]" 1
199 1 46 MET H 1 118 LEU HA 4.000 . 5.000 3.190 3.055 3.382 . 0 0 "[ . 1 . 2]" 1
200 1 46 MET HB2 1 119 ALA HA 2.800 . 3.800 3.684 3.374 3.820 0.020 13 0 "[ . 1 . 2]" 1
201 1 46 MET ME 1 119 ALA HA 2.900 . 6.000 4.562 3.190 5.373 . 0 0 "[ . 1 . 2]" 1
202 1 46 MET H 1 119 ALA H 4.000 . 5.000 3.821 3.265 4.296 . 0 0 "[ . 1 . 2]" 1
203 1 46 MET H 1 119 ALA MB 3.400 . 4.900 4.344 3.311 4.870 . 0 0 "[ . 1 . 2]" 1
204 1 46 MET H 1 119 ALA HA 3.800 . 5.600 5.043 4.701 5.191 . 0 0 "[ . 1 . 2]" 1
205 1 47 VAL HA 1 47 VAL MG2 2.400 . 6.000 3.053 2.457 3.205 . 0 0 "[ . 1 . 2]" 1
206 1 47 VAL HA 1 47 VAL HB 2.900 . 3.900 2.370 2.324 2.456 . 0 0 "[ . 1 . 2]" 1
207 1 47 VAL HA 1 47 VAL MG1 2.700 . 6.000 2.579 2.282 3.185 . 0 0 "[ . 1 . 2]" 1
208 1 47 VAL H 1 47 VAL MG1 4.000 . 5.000 2.261 1.882 2.613 . 0 0 "[ . 1 . 2]" 1
209 1 47 VAL H 1 47 VAL MG2 4.000 . 5.000 2.537 1.926 3.796 . 0 0 "[ . 1 . 2]" 1
210 1 47 VAL H 1 47 VAL HB 2.900 . 4.000 3.594 3.041 3.737 . 0 0 "[ . 1 . 2]" 1
211 1 47 VAL HA 1 48 ASN H 4.000 . 5.000 2.128 2.088 2.161 . 0 0 "[ . 1 . 2]" 1
212 1 47 VAL MG1 1 48 ASN H 3.200 . 4.500 4.005 3.807 4.145 . 0 0 "[ . 1 . 2]" 1
213 1 47 VAL MG2 1 48 ASN H 3.500 . 5.000 3.467 2.342 3.917 . 0 0 "[ . 1 . 2]" 1
214 1 47 VAL H 1 48 ASN H 4.000 . 5.000 4.475 4.428 4.492 . 0 0 "[ . 1 . 2]" 1
215 1 47 VAL MG1 1 63 PHE QE 3.500 . 5.400 2.325 1.898 3.436 0.002 14 0 "[ . 1 . 2]" 1
216 1 47 VAL H 1 75 VAL H 4.400 . 6.000 6.037 6.011 6.068 0.068 14 0 "[ . 1 . 2]" 1
217 1 47 VAL HB 1 86 TYR HB2 3.300 . 6.000 5.764 5.445 6.061 0.061 13 0 "[ . 1 . 2]" 1
218 1 47 VAL MG1 1 86 TYR HB2 4.400 . 6.000 5.274 3.833 5.795 . 0 0 "[ . 1 . 2]" 1
219 1 47 VAL MG2 1 86 TYR HA 3.900 . 5.800 4.478 4.095 5.141 . 0 0 "[ . 1 . 2]" 1
220 1 47 VAL H 1 86 TYR HB3 4.400 . 6.000 5.637 5.226 6.002 0.002 1 0 "[ . 1 . 2]" 1
221 1 47 VAL MG2 1 87 GLY H 3.300 . 5.600 2.568 1.997 3.817 0.003 14 0 "[ . 1 . 2]" 1
222 1 47 VAL H 1 87 GLY H 3.200 . 4.000 3.846 3.548 4.032 0.032 8 0 "[ . 1 . 2]" 1
223 1 47 VAL HB 1 88 PHE HA 4.400 . 6.000 5.469 4.739 6.017 0.017 4 0 "[ . 1 . 2]" 1
224 1 47 VAL MG1 1 88 PHE HA 3.700 . 5.400 3.171 2.666 3.770 . 0 0 "[ . 1 . 2]" 1
225 1 47 VAL MG2 1 88 PHE HA 4.500 . 6.000 3.613 2.362 5.764 . 0 0 "[ . 1 . 2]" 1
226 1 47 VAL H 1 88 PHE HA 4.000 . 5.000 2.461 2.111 2.764 . 0 0 "[ . 1 . 2]" 1
227 1 47 VAL H 1 88 PHE QD 4.000 . 5.000 3.961 3.456 4.394 . 0 0 "[ . 1 . 2]" 1
228 1 47 VAL MG1 1 89 VAL MG1 2.500 . 6.000 2.939 2.043 3.459 . 0 0 "[ . 1 . 2]" 1
229 1 47 VAL MG1 1 89 VAL H 3.700 . 5.400 3.185 2.822 3.624 . 0 0 "[ . 1 . 2]" 1
230 1 47 VAL H 1 89 VAL H 4.000 . 5.000 3.821 3.628 4.108 . 0 0 "[ . 1 . 2]" 1
231 1 47 VAL HA 1 115 LYS H 4.100 . 6.000 4.875 4.719 5.054 . 0 0 "[ . 1 . 2]" 1
232 1 47 VAL MG1 1 115 LYS H 4.000 . 6.000 5.811 5.309 6.037 0.037 13 0 "[ . 1 . 2]" 1
233 1 47 VAL HA 1 116 VAL HB 4.700 . 6.000 5.020 4.679 5.299 . 0 0 "[ . 1 . 2]" 1
234 1 47 VAL HA 1 116 VAL HA 2.300 . 3.000 2.396 2.100 2.570 . 0 0 "[ . 1 . 2]" 1
235 1 47 VAL HB 1 116 VAL HA 4.100 . 6.000 4.259 3.566 4.583 . 0 0 "[ . 1 . 2]" 1
236 1 47 VAL MG1 1 116 VAL MG2 2.200 . 6.000 2.951 2.160 4.144 . 0 0 "[ . 1 . 2]" 1
237 1 47 VAL MG1 1 116 VAL HB 4.600 . 6.000 4.758 4.113 6.062 0.062 10 0 "[ . 1 . 2]" 1
238 1 47 VAL MG1 1 116 VAL HA 3.500 . 6.000 3.559 3.056 4.653 . 0 0 "[ . 1 . 2]" 1
239 1 47 VAL MG1 1 116 VAL MG1 3.000 . 6.000 2.224 1.764 3.488 . 0 0 "[ . 1 . 2]" 1
240 1 47 VAL HA 1 117 ALA H 4.000 . 5.000 3.736 3.554 3.915 . 0 0 "[ . 1 . 2]" 1
241 1 47 VAL HA 1 117 ALA MB 4.300 . 6.000 5.231 5.083 5.381 . 0 0 "[ . 1 . 2]" 1
242 1 47 VAL HB 1 117 ALA H 3.100 . 6.000 5.816 5.014 6.049 0.049 17 0 "[ . 1 . 2]" 1
243 1 47 VAL H 1 117 ALA H 4.100 . 6.000 4.716 4.598 4.907 . 0 0 "[ . 1 . 2]" 1
244 1 48 ASN HA 1 48 ASN HB3 2.900 . 4.000 3.029 3.023 3.035 . 0 0 "[ . 1 . 2]" 1
245 1 48 ASN HA 1 48 ASN HB2 2.600 . 3.400 2.455 2.417 2.501 . 0 0 "[ . 1 . 2]" 1
246 1 48 ASN HA 1 49 TYR H 4.000 . 5.000 2.178 2.139 2.213 . 0 0 "[ . 1 . 2]" 1
247 1 48 ASN HA 1 49 TYR HA 5.000 . 6.000 4.447 4.422 4.480 . 0 0 "[ . 1 . 2]" 1
248 1 48 ASN HB2 1 49 TYR H 3.900 . 5.800 4.090 3.931 4.213 . 0 0 "[ . 1 . 2]" 1
249 1 48 ASN HD21 1 49 TYR H 4.000 . 6.000 4.303 1.985 5.237 0.015 16 0 "[ . 1 . 2]" 1
250 1 48 ASN H 1 49 TYR H 4.000 . 5.000 4.267 4.115 4.332 . 0 0 "[ . 1 . 2]" 1
251 1 48 ASN HA 1 50 ILE H 4.000 . 5.000 4.225 4.073 4.382 . 0 0 "[ . 1 . 2]" 1
252 1 48 ASN H 1 50 ILE H 4.600 . 6.000 6.119 6.069 6.227 0.227 8 0 "[ . 1 . 2]" 1
253 1 48 ASN HA 1 54 VAL MG2 4.900 . 6.000 4.616 2.950 6.005 0.005 11 0 "[ . 1 . 2]" 1
254 1 48 ASN HA 1 86 TYR HB2 2.600 . 3.500 2.956 2.759 3.171 . 0 0 "[ . 1 . 2]" 1
255 1 48 ASN HA 1 86 TYR HB3 2.500 . 3.300 2.187 1.901 2.530 . 0 0 "[ . 1 . 2]" 1
256 1 48 ASN HA 1 86 TYR HA 3.300 . 4.700 3.096 2.820 3.207 . 0 0 "[ . 1 . 2]" 1
257 1 48 ASN HB2 1 86 TYR HA 5.000 . 6.000 4.284 4.058 4.498 . 0 0 "[ . 1 . 2]" 1
258 1 48 ASN HB2 1 86 TYR H 4.400 . 6.000 5.838 5.598 6.023 0.023 3 0 "[ . 1 . 2]" 1
259 1 48 ASN H 1 86 TYR HB2 4.400 . 6.000 4.566 4.380 4.756 . 0 0 "[ . 1 . 2]" 1
260 1 48 ASN HA 1 87 GLY H 4.000 . 5.000 3.159 2.953 3.408 . 0 0 "[ . 1 . 2]" 1
261 1 48 ASN H 1 87 GLY H 3.400 . 6.000 4.748 4.621 4.942 . 0 0 "[ . 1 . 2]" 1
262 1 48 ASN HA 1 115 LYS HD2 4.400 . 6.000 5.735 5.243 6.003 0.003 4 0 "[ . 1 . 2]" 1
263 1 48 ASN HB3 1 115 LYS HG3 4.100 . 6.000 4.895 4.500 5.245 . 0 0 "[ . 1 . 2]" 1
264 1 48 ASN HB3 1 115 LYS H 3.500 . 5.000 4.417 3.691 4.905 . 0 0 "[ . 1 . 2]" 1
265 1 48 ASN HB2 1 115 LYS HB2 3.600 . 6.000 5.574 5.006 6.002 0.002 20 0 "[ . 1 . 2]" 1
266 1 48 ASN HB2 1 115 LYS HG2 3.800 . 5.600 5.532 4.775 5.611 0.011 20 0 "[ . 1 . 2]" 1
267 1 48 ASN H 1 115 LYS H 4.000 . 5.000 3.378 3.166 3.581 . 0 0 "[ . 1 . 2]" 1
268 1 48 ASN H 1 116 VAL MG2 4.200 . 6.000 4.008 3.806 4.345 . 0 0 "[ . 1 . 2]" 1
269 1 48 ASN H 1 116 VAL HA 4.000 . 5.000 3.655 3.518 3.826 . 0 0 "[ . 1 . 2]" 1
270 1 48 ASN H 1 117 ALA H 4.000 . 5.000 5.054 5.011 5.091 0.091 8 0 "[ . 1 . 2]" 1
271 1 49 TYR HA 1 49 TYR HB2 2.400 . 3.100 2.441 2.332 3.019 . 0 0 "[ . 1 . 2]" 1
272 1 49 TYR HA 1 49 TYR QD 2.600 . 6.000 2.648 2.057 3.253 . 0 0 "[ . 1 . 2]" 1
273 1 49 TYR H 1 49 TYR QD 4.000 . 5.000 4.320 3.609 4.512 . 0 0 "[ . 1 . 2]" 1
274 1 49 TYR H 1 49 TYR HB2 3.400 . 4.800 3.495 2.606 3.669 . 0 0 "[ . 1 . 2]" 1
275 1 49 TYR HA 1 50 ILE H 4.000 . 5.000 3.532 3.491 3.548 . 0 0 "[ . 1 . 2]" 1
276 1 49 TYR HB3 1 50 ILE H 2.900 . 3.900 2.196 2.016 2.636 . 0 0 "[ . 1 . 2]" 1
277 1 49 TYR HB2 1 50 ILE H 4.200 . 6.000 3.551 1.966 3.735 0.034 8 0 "[ . 1 . 2]" 1
278 1 49 TYR H 1 50 ILE HA 4.000 . 6.000 4.414 4.348 4.467 . 0 0 "[ . 1 . 2]" 1
279 1 49 TYR H 1 50 ILE H 4.000 . 5.000 2.345 2.178 2.463 . 0 0 "[ . 1 . 2]" 1
280 1 49 TYR H 1 54 VAL MG1 4.200 . 6.000 4.425 2.910 5.992 . 0 0 "[ . 1 . 2]" 1
281 1 49 TYR HB3 1 55 ASP H 3.400 . 6.000 6.076 6.042 6.102 0.102 5 0 "[ . 1 . 2]" 1
282 1 49 TYR HA 1 86 TYR HB3 3.000 . 6.000 6.040 6.013 6.070 0.070 14 0 "[ . 1 . 2]" 1
283 1 49 TYR H 1 86 TYR HA 4.000 . 5.000 3.893 3.564 4.056 . 0 0 "[ . 1 . 2]" 1
284 1 49 TYR H 1 87 GLY H 4.000 . 5.000 4.798 4.449 5.021 0.021 7 0 "[ . 1 . 2]" 1
285 1 49 TYR HA 1 113 ARG H 4.000 . 5.000 4.650 3.790 5.077 0.077 16 0 "[ . 1 . 2]" 1
286 1 49 TYR HB3 1 113 ARG H 4.600 . 6.000 5.679 4.433 6.081 0.081 3 0 "[ . 1 . 2]" 1
287 1 49 TYR QD 1 114 LEU H 4.100 . 6.000 4.752 2.788 6.003 0.003 5 0 "[ . 1 . 2]" 1
288 1 49 TYR HA 1 115 LYS H 4.000 . 5.000 3.839 3.359 4.184 . 0 0 "[ . 1 . 2]" 1
289 1 49 TYR HB3 1 115 LYS H 3.100 . 6.000 4.816 4.541 5.350 . 0 0 "[ . 1 . 2]" 1
290 1 49 TYR HB2 1 115 LYS H 3.700 . 5.400 3.330 3.031 5.453 0.053 8 0 "[ . 1 . 2]" 1
291 1 49 TYR QD 1 115 LYS H 4.000 . 5.000 4.259 2.005 5.036 0.036 5 0 "[ . 1 . 2]" 1
292 1 49 TYR H 1 115 LYS HB2 4.500 . 6.000 5.945 5.595 6.023 0.023 19 0 "[ . 1 . 2]" 1
293 1 49 TYR H 1 115 LYS H 3.800 . 5.600 5.165 4.864 5.347 . 0 0 "[ . 1 . 2]" 1
294 1 50 ILE HA 1 50 ILE MG 2.900 . 3.900 2.101 1.944 2.371 0.056 16 0 "[ . 1 . 2]" 1
295 1 50 ILE HB 1 50 ILE MD 2.800 . 3.800 2.471 2.106 3.221 . 0 0 "[ . 1 . 2]" 1
296 1 50 ILE HA 1 50 ILE MD 3.300 . 4.700 3.904 3.469 4.146 . 0 0 "[ . 1 . 2]" 1
297 1 50 ILE H 1 50 ILE MG 3.000 . 4.100 3.512 2.699 3.842 . 0 0 "[ . 1 . 2]" 1
298 1 50 ILE H 1 50 ILE HG12 2.900 . 3.900 2.764 1.879 3.774 0.021 6 0 "[ . 1 . 2]" 1
299 1 50 ILE H 1 50 ILE HB 2.800 . 3.800 3.336 2.937 3.746 . 0 0 "[ . 1 . 2]" 1
300 1 50 ILE HB 1 53 THR HA 2.600 . 6.000 4.475 3.928 4.982 . 0 0 "[ . 1 . 2]" 1
301 1 50 ILE MG 1 54 VAL H 4.100 . 6.000 4.466 2.964 5.263 . 0 0 "[ . 1 . 2]" 1
302 1 52 THR HA 1 52 THR MG 2.600 . 6.000 2.401 2.100 3.226 . 0 0 "[ . 1 . 2]" 1
303 1 52 THR HA 1 53 THR MG 4.000 . 6.000 5.757 4.843 6.041 0.041 7 0 "[ . 1 . 2]" 1
304 1 52 THR HA 1 54 VAL H 3.700 . 5.400 3.501 3.342 3.727 . 0 0 "[ . 1 . 2]" 1
305 1 52 THR MG 1 83 SER QB 4.000 . 5.000 4.115 3.195 5.009 0.009 7 0 "[ . 1 . 2]" 1
306 1 53 THR HA 1 54 VAL H 4.000 . 5.000 3.146 3.118 3.255 . 0 0 "[ . 1 . 2]" 1
307 1 53 THR H 1 54 VAL H 3.400 . 4.900 2.639 2.344 2.794 . 0 0 "[ . 1 . 2]" 1
308 1 53 THR HA 1 55 ASP H 3.200 . 6.000 5.415 5.190 5.693 . 0 0 "[ . 1 . 2]" 1
309 1 54 VAL HA 1 54 VAL MG2 2.400 . 6.000 2.717 2.247 3.195 . 0 0 "[ . 1 . 2]" 1
310 1 54 VAL HA 1 54 VAL HB 2.600 . 3.500 2.497 2.395 2.589 . 0 0 "[ . 1 . 2]" 1
311 1 54 VAL H 1 54 VAL HB 3.200 . 4.000 3.061 2.592 3.609 . 0 0 "[ . 1 . 2]" 1
312 1 54 VAL H 1 54 VAL MG1 3.200 . 4.000 2.292 1.957 2.821 . 0 0 "[ . 1 . 2]" 1
313 1 54 VAL H 1 54 VAL MG2 3.200 . 4.000 2.954 1.907 3.779 . 0 0 "[ . 1 . 2]" 1
314 1 54 VAL HA 1 55 ASP H 3.200 . 4.000 2.155 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
315 1 54 VAL HA 1 55 ASP HA 4.900 . 6.000 4.389 4.381 4.402 . 0 0 "[ . 1 . 2]" 1
316 1 54 VAL HB 1 55 ASP H 3.600 . 5.300 4.003 3.350 4.442 . 0 0 "[ . 1 . 2]" 1
317 1 54 VAL MG2 1 55 ASP H 2.900 . 6.000 3.527 2.757 4.293 . 0 0 "[ . 1 . 2]" 1
318 1 54 VAL H 1 55 ASP H 4.000 . 5.000 4.424 4.332 4.539 . 0 0 "[ . 1 . 2]" 1
319 1 54 VAL H 1 83 SER QB 4.400 . 6.000 4.869 3.736 5.923 . 0 0 "[ . 1 . 2]" 1
320 1 54 VAL HB 1 86 TYR HA 4.600 . 6.000 3.478 2.756 4.010 . 0 0 "[ . 1 . 2]" 1
321 1 54 VAL HB 1 87 GLY H 3.400 . 6.000 4.541 3.758 5.717 . 0 0 "[ . 1 . 2]" 1
322 1 55 ASP HA 1 55 ASP HB2 2.800 . 3.800 2.911 2.567 3.025 . 0 0 "[ . 1 . 2]" 1
323 1 55 ASP HA 1 55 ASP HB3 2.700 . 3.600 2.668 2.349 2.970 . 0 0 "[ . 1 . 2]" 1
324 1 55 ASP HA 1 56 GLU H 4.000 . 5.000 2.140 2.125 2.174 . 0 0 "[ . 1 . 2]" 1
325 1 55 ASP HA 1 56 GLU HG2 5.200 . 6.000 3.839 3.649 4.181 . 0 0 "[ . 1 . 2]" 1
326 1 55 ASP HA 1 56 GLU HA 4.600 . 6.000 4.383 4.336 4.439 . 0 0 "[ . 1 . 2]" 1
327 1 55 ASP HB3 1 56 GLU H 3.200 . 4.500 3.573 3.152 4.127 . 0 0 "[ . 1 . 2]" 1
328 1 55 ASP HB2 1 56 GLU H 3.500 . 5.000 4.346 3.306 4.565 . 0 0 "[ . 1 . 2]" 1
329 1 55 ASP H 1 56 GLU H 4.000 . 5.000 4.336 4.199 4.466 . 0 0 "[ . 1 . 2]" 1
330 1 55 ASP HA 1 57 VAL MG2 5.100 . 6.000 4.411 4.162 4.662 . 0 0 "[ . 1 . 2]" 1
331 1 55 ASP HB3 1 57 VAL H 3.300 . 4.600 2.728 2.433 4.159 . 0 0 "[ . 1 . 2]" 1
332 1 55 ASP HB2 1 57 VAL H 3.800 . 5.600 3.963 2.499 4.511 . 0 0 "[ . 1 . 2]" 1
333 1 55 ASP H 1 57 VAL HB 3.500 . 6.000 6.026 5.883 6.077 0.077 18 0 "[ . 1 . 2]" 1
334 1 55 ASP H 1 57 VAL H 3.500 . 5.000 5.038 5.013 5.058 0.058 20 0 "[ . 1 . 2]" 1
335 1 55 ASP H 1 59 LEU H 3.900 . 5.800 4.657 4.432 4.834 . 0 0 "[ . 1 . 2]" 1
336 1 55 ASP HA 1 74 ILE HB 4.800 . 6.000 5.615 4.511 6.011 0.011 18 0 "[ . 1 . 2]" 1
337 1 55 ASP HA 1 74 ILE MD 4.000 . 5.000 2.726 2.193 4.017 . 0 0 "[ . 1 . 2]" 1
338 1 55 ASP H 1 74 ILE MD 4.000 . 6.000 3.921 3.657 4.631 . 0 0 "[ . 1 . 2]" 1
339 1 56 GLU HA 1 56 GLU HG2 3.000 . 4.200 3.719 3.619 3.902 . 0 0 "[ . 1 . 2]" 1
340 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 2.029 1.945 2.301 . 0 0 "[ . 1 . 2]" 1
341 1 56 GLU HB2 1 57 VAL H 3.300 . 4.600 3.941 3.850 4.075 . 0 0 "[ . 1 . 2]" 1
342 1 56 GLU H 1 57 VAL H 4.000 . 5.000 2.615 2.509 2.675 . 0 0 "[ . 1 . 2]" 1
343 1 56 GLU H 1 59 LEU MD1 4.100 . 6.000 4.177 3.653 5.256 . 0 0 "[ . 1 . 2]" 1
344 1 56 GLU HA 1 60 ARG HG2 3.300 . 6.000 6.005 5.642 6.056 0.056 7 0 "[ . 1 . 2]" 1
345 1 56 GLU HG3 1 60 ARG HG3 3.600 . 5.200 4.334 3.708 4.766 . 0 0 "[ . 1 . 2]" 1
346 1 56 GLU HG3 1 60 ARG HB3 3.500 . 6.000 5.634 5.282 6.004 0.004 2 0 "[ . 1 . 2]" 1
347 1 56 GLU HA 1 72 VAL HB 3.000 . 6.000 5.817 4.582 6.087 0.087 16 0 "[ . 1 . 2]" 1
348 1 56 GLU QB 1 73 LYS H 4.200 . 6.000 4.417 4.203 4.616 . 0 0 "[ . 1 . 2]" 1
349 1 56 GLU HA 1 74 ILE HB 3.200 . 6.000 5.315 3.923 5.764 . 0 0 "[ . 1 . 2]" 1
350 1 56 GLU HA 1 74 ILE HA 3.200 . 6.000 5.291 4.799 5.490 . 0 0 "[ . 1 . 2]" 1
351 1 56 GLU HA 1 74 ILE MD 4.000 . 5.000 3.145 1.977 4.592 . 0 0 "[ . 1 . 2]" 1
352 1 56 GLU HA 1 74 ILE MG 4.000 . 5.000 5.069 5.024 5.131 0.131 16 0 "[ . 1 . 2]" 1
353 1 56 GLU HG2 1 74 ILE H 3.600 . 6.000 5.736 5.311 6.002 0.002 18 0 "[ . 1 . 2]" 1
354 1 56 GLU H 1 74 ILE MD 3.300 . 6.000 2.160 1.707 4.404 . 0 0 "[ . 1 . 2]" 1
355 1 56 GLU H 1 74 ILE MG 3.400 . 4.900 4.463 3.726 4.735 . 0 0 "[ . 1 . 2]" 1
356 1 56 GLU H 1 74 ILE HG12 3.500 . 5.000 3.789 3.500 3.943 . 0 0 "[ . 1 . 2]" 1
357 1 56 GLU H 1 74 ILE H 4.400 . 6.000 5.974 5.418 6.055 0.055 4 0 "[ . 1 . 2]" 1
358 1 57 VAL H 1 57 VAL HB 3.200 . 4.000 2.558 2.471 2.628 . 0 0 "[ . 1 . 2]" 1
359 1 57 VAL H 1 57 VAL MG1 4.000 . 5.000 3.754 3.743 3.761 . 0 0 "[ . 1 . 2]" 1
360 1 57 VAL H 1 57 VAL MG2 3.200 . 4.000 2.090 1.964 2.233 . 0 0 "[ . 1 . 2]" 1
361 1 57 VAL H 1 59 LEU H 3.600 . 5.200 3.992 3.792 4.143 . 0 0 "[ . 1 . 2]" 1
362 1 57 VAL HA 1 60 ARG QB 4.000 . 5.000 1.871 1.785 2.062 0.015 7 0 "[ . 1 . 2]" 1
363 1 57 VAL HA 1 60 ARG HG2 3.600 . 5.200 4.417 4.171 4.632 . 0 0 "[ . 1 . 2]" 1
364 1 57 VAL HB 1 60 ARG H 3.200 . 6.000 4.952 4.896 5.014 . 0 0 "[ . 1 . 2]" 1
365 1 57 VAL MG1 1 60 ARG HB2 3.100 . 6.000 3.643 3.406 3.910 . 0 0 "[ . 1 . 2]" 1
366 1 57 VAL H 1 60 ARG HB2 3.400 . 6.000 4.013 3.896 4.135 . 0 0 "[ . 1 . 2]" 1
367 1 57 VAL H 1 60 ARG H 3.700 . 6.000 4.216 4.131 4.284 . 0 0 "[ . 1 . 2]" 1
368 1 57 VAL MG1 1 61 GLN H 3.600 . 5.200 3.786 3.659 3.961 . 0 0 "[ . 1 . 2]" 1
369 1 57 VAL H 1 61 GLN H 4.900 . 6.000 6.074 6.051 6.094 0.094 7 0 "[ . 1 . 2]" 1
370 1 57 VAL H 1 74 ILE HG12 4.300 . 6.000 6.009 5.899 6.036 0.036 7 0 "[ . 1 . 2]" 1
371 1 59 LEU HA 1 60 ARG HB3 3.300 . 6.000 5.981 5.795 6.095 0.095 12 0 "[ . 1 . 2]" 1
372 1 59 LEU HA 1 60 ARG H 3.400 . 4.800 3.452 3.423 3.474 . 0 0 "[ . 1 . 2]" 1
373 1 59 LEU H 1 60 ARG H 3.100 . 4.300 2.386 2.350 2.408 . 0 0 "[ . 1 . 2]" 1
374 1 59 LEU H 1 61 GLN H 4.100 . 6.000 4.496 4.419 4.567 . 0 0 "[ . 1 . 2]" 1
375 1 59 LEU HA 1 62 LEU HG 3.100 . 4.300 4.223 3.891 4.322 0.022 18 0 "[ . 1 . 2]" 1
376 1 59 LEU HA 1 62 LEU HB2 2.600 . 3.500 3.502 3.311 3.525 0.025 13 0 "[ . 1 . 2]" 1
377 1 59 LEU HA 1 62 LEU HB3 2.700 . 3.600 2.259 2.058 2.428 . 0 0 "[ . 1 . 2]" 1
378 1 60 ARG HA 1 60 ARG HG2 2.400 . 3.100 2.150 2.068 2.305 . 0 0 "[ . 1 . 2]" 1
379 1 60 ARG HA 1 60 ARG HG3 3.000 . 4.100 3.332 2.925 3.579 . 0 0 "[ . 1 . 2]" 1
380 1 60 ARG HA 1 60 ARG HB2 2.600 . 3.400 2.702 2.600 2.800 . 0 0 "[ . 1 . 2]" 1
381 1 60 ARG HA 1 60 ARG HB3 2.600 . 3.500 2.960 2.891 3.008 . 0 0 "[ . 1 . 2]" 1
382 1 60 ARG HB3 1 60 ARG HG2 3.000 . 4.100 2.888 2.680 3.003 . 0 0 "[ . 1 . 2]" 1
383 1 60 ARG H 1 60 ARG HB2 2.700 . 3.600 2.138 2.037 2.272 . 0 0 "[ . 1 . 2]" 1
384 1 60 ARG H 1 60 ARG HB3 3.600 . 5.200 2.980 2.781 3.126 . 0 0 "[ . 1 . 2]" 1
385 1 60 ARG H 1 60 ARG HG2 3.900 . 5.800 4.121 3.943 4.235 . 0 0 "[ . 1 . 2]" 1
386 1 60 ARG HA 1 61 GLN H 4.000 . 5.000 3.556 3.552 3.561 . 0 0 "[ . 1 . 2]" 1
387 1 60 ARG HB3 1 61 GLN HA 2.500 . 6.000 3.864 3.757 4.013 . 0 0 "[ . 1 . 2]" 1
388 1 60 ARG HB2 1 61 GLN H 2.800 . 3.800 3.242 3.006 3.449 . 0 0 "[ . 1 . 2]" 1
389 1 60 ARG HG3 1 61 GLN H 3.900 . 5.800 4.850 4.710 4.920 . 0 0 "[ . 1 . 2]" 1
390 1 60 ARG HG2 1 61 GLN H 4.000 . 6.000 4.593 4.514 4.824 . 0 0 "[ . 1 . 2]" 1
391 1 60 ARG H 1 61 GLN H 4.000 . 5.000 2.807 2.689 2.869 . 0 0 "[ . 1 . 2]" 1
392 1 60 ARG HA 1 62 LEU H 4.000 . 5.000 4.760 4.633 4.841 . 0 0 "[ . 1 . 2]" 1
393 1 60 ARG H 1 62 LEU H 3.700 . 5.400 3.993 3.831 4.083 . 0 0 "[ . 1 . 2]" 1
394 1 60 ARG HA 1 63 PHE QB 4.000 . 5.000 3.534 3.214 3.763 . 0 0 "[ . 1 . 2]" 1
395 1 60 ARG H 1 63 PHE H 4.000 . 5.000 4.394 4.308 4.470 . 0 0 "[ . 1 . 2]" 1
396 1 60 ARG HB3 1 64 GLU H 2.800 . 6.000 5.208 4.921 5.417 . 0 0 "[ . 1 . 2]" 1
397 1 60 ARG HG2 1 64 GLU HG3 4.200 . 6.000 5.950 5.136 6.053 0.053 16 0 "[ . 1 . 2]" 1
398 1 60 ARG H 1 64 GLU H 4.000 . 5.000 5.182 5.133 5.222 0.222 2 0 "[ . 1 . 2]" 1
399 1 60 ARG HA 1 69 ILE MD 2.800 . 3.800 2.150 1.778 3.243 0.022 4 0 "[ . 1 . 2]" 1
400 1 60 ARG HB3 1 69 ILE MD 3.000 . 4.100 3.871 3.621 4.120 0.020 8 0 "[ . 1 . 2]" 1
401 1 60 ARG HG2 1 69 ILE MD 2.600 . 6.000 1.735 1.705 1.812 . 0 0 "[ . 1 . 2]" 1
402 1 60 ARG H 1 69 ILE MD 4.200 . 6.000 4.429 4.069 5.243 . 0 0 "[ . 1 . 2]" 1
403 1 60 ARG HA 1 72 VAL MG1 4.000 . 5.000 3.787 3.083 4.163 . 0 0 "[ . 1 . 2]" 1
404 1 60 ARG QB 1 72 VAL MG1 4.000 . 5.000 3.998 3.358 4.715 . 0 0 "[ . 1 . 2]" 1
405 1 60 ARG QG 1 72 VAL MG1 4.000 . 5.000 2.537 2.188 2.907 . 0 0 "[ . 1 . 2]" 1
406 1 60 ARG H 1 72 VAL MG1 3.400 . 6.000 5.241 4.136 5.748 . 0 0 "[ . 1 . 2]" 1
407 1 61 GLN HA 1 61 GLN HB3 2.300 . 3.000 2.577 2.536 2.612 . 0 0 "[ . 1 . 2]" 1
408 1 61 GLN HA 1 61 GLN HG3 3.300 . 4.700 3.355 3.247 3.533 . 0 0 "[ . 1 . 2]" 1
409 1 61 GLN H 1 61 GLN HG2 3.100 . 4.300 3.309 2.965 3.467 . 0 0 "[ . 1 . 2]" 1
410 1 61 GLN H 1 61 GLN HG3 2.300 . 2.900 2.899 2.792 2.909 0.009 2 0 "[ . 1 . 2]" 1
411 1 61 GLN H 1 61 GLN HB3 3.000 . 4.100 3.561 3.537 3.583 . 0 0 "[ . 1 . 2]" 1
412 1 61 GLN HB3 1 62 LEU HA 3.900 . 5.800 4.185 4.098 4.291 . 0 0 "[ . 1 . 2]" 1
413 1 61 GLN HB3 1 62 LEU H 3.300 . 4.600 3.435 3.310 3.598 . 0 0 "[ . 1 . 2]" 1
414 1 61 GLN HB2 1 62 LEU H 2.500 . 3.300 2.666 2.619 2.764 . 0 0 "[ . 1 . 2]" 1
415 1 61 GLN HG3 1 62 LEU H 3.600 . 5.200 4.603 4.534 4.637 . 0 0 "[ . 1 . 2]" 1
416 1 61 GLN HG2 1 62 LEU H 4.000 . 6.000 4.812 4.700 4.859 . 0 0 "[ . 1 . 2]" 1
417 1 61 GLN H 1 62 LEU HB2 4.200 . 6.000 4.785 4.529 4.961 . 0 0 "[ . 1 . 2]" 1
418 1 61 GLN H 1 62 LEU H 4.000 . 5.000 2.546 2.420 2.644 . 0 0 "[ . 1 . 2]" 1
419 1 61 GLN HB3 1 63 PHE H 4.000 . 6.000 5.596 5.462 5.716 . 0 0 "[ . 1 . 2]" 1
420 1 61 GLN HA 1 64 GLU H 4.000 . 5.000 3.966 3.929 3.997 . 0 0 "[ . 1 . 2]" 1
421 1 61 GLN HB3 1 64 GLU HG3 3.500 . 6.000 5.745 5.607 6.021 0.021 2 0 "[ . 1 . 2]" 1
422 1 61 GLN HB3 1 64 GLU H 3.300 . 6.000 5.981 5.934 6.024 0.024 13 0 "[ . 1 . 2]" 1
423 1 61 GLN HG2 1 64 GLU H 3.400 . 6.000 6.009 5.982 6.018 0.018 8 0 "[ . 1 . 2]" 1
424 1 61 GLN H 1 64 GLU H 4.200 . 6.000 4.594 4.539 4.662 . 0 0 "[ . 1 . 2]" 1
425 1 61 GLN HA 1 65 ARG HG2 3.800 . 6.000 5.856 4.921 6.025 0.025 4 0 "[ . 1 . 2]" 1
426 1 61 GLN HB3 1 65 ARG H 3.400 . 6.000 5.278 5.193 5.337 . 0 0 "[ . 1 . 2]" 1
427 1 61 GLN HG2 1 65 ARG H 2.900 . 6.000 6.007 6.000 6.016 0.016 13 0 "[ . 1 . 2]" 1
428 1 61 GLN H 1 69 ILE MD 4.800 . 6.000 4.910 4.542 5.479 . 0 0 "[ . 1 . 2]" 1
429 1 62 LEU HA 1 62 LEU MD2 2.500 . 6.000 3.638 2.267 3.794 . 0 0 "[ . 1 . 2]" 1
430 1 62 LEU HA 1 62 LEU HG 3.300 . 4.700 3.316 3.199 3.690 . 0 0 "[ . 1 . 2]" 1
431 1 62 LEU HA 1 62 LEU HB2 2.500 . 3.300 2.487 2.454 2.609 . 0 0 "[ . 1 . 2]" 1
432 1 62 LEU HB3 1 62 LEU MD2 2.700 . 6.000 2.543 2.407 3.172 . 0 0 "[ . 1 . 2]" 1
433 1 62 LEU HA 1 62 LEU HB3 2.500 . 3.300 3.011 2.985 3.015 . 0 0 "[ . 1 . 2]" 1
434 1 62 LEU HB2 1 62 LEU MD2 2.500 . 3.300 2.188 2.086 2.315 . 0 0 "[ . 1 . 2]" 1
435 1 62 LEU H 1 62 LEU MD1 4.000 . 5.000 3.977 3.887 4.197 . 0 0 "[ . 1 . 2]" 1
436 1 62 LEU HB3 1 62 LEU MD1 2.800 . 3.800 3.139 2.391 3.195 . 0 0 "[ . 1 . 2]" 1
437 1 62 LEU HA 1 62 LEU MD1 2.800 . 3.800 1.958 1.892 2.419 . 0 0 "[ . 1 . 2]" 1
438 1 62 LEU H 1 62 LEU MD2 4.000 . 5.000 4.158 3.670 4.235 . 0 0 "[ . 1 . 2]" 1
439 1 62 LEU H 1 62 LEU HG 3.600 . 5.200 4.537 4.493 4.592 . 0 0 "[ . 1 . 2]" 1
440 1 62 LEU H 1 62 LEU HB2 2.400 . 3.100 2.412 2.221 2.492 . 0 0 "[ . 1 . 2]" 1
441 1 62 LEU H 1 62 LEU HB3 2.700 . 3.600 2.576 2.507 2.815 . 0 0 "[ . 1 . 2]" 1
442 1 62 LEU HA 1 63 PHE H 4.000 . 5.000 3.559 3.546 3.566 . 0 0 "[ . 1 . 2]" 1
443 1 62 LEU HB3 1 63 PHE QD 3.000 . 6.000 2.507 2.037 3.953 . 0 0 "[ . 1 . 2]" 1
444 1 62 LEU HB3 1 63 PHE H 2.900 . 3.900 2.568 2.405 2.664 . 0 0 "[ . 1 . 2]" 1
445 1 62 LEU MD2 1 63 PHE HA 4.600 . 6.000 5.250 5.045 5.482 . 0 0 "[ . 1 . 2]" 1
446 1 62 LEU MD2 1 63 PHE H 3.700 . 5.400 4.598 4.413 4.782 . 0 0 "[ . 1 . 2]" 1
447 1 62 LEU HG 1 63 PHE QD 3.200 . 6.000 3.340 2.641 4.476 . 0 0 "[ . 1 . 2]" 1
448 1 62 LEU HG 1 63 PHE HA 3.900 . 5.800 4.027 3.799 5.571 . 0 0 "[ . 1 . 2]" 1
449 1 62 LEU H 1 63 PHE HA 4.100 . 6.000 5.300 5.243 5.350 . 0 0 "[ . 1 . 2]" 1
450 1 62 LEU H 1 63 PHE HB2 4.500 . 6.000 4.930 4.818 5.079 . 0 0 "[ . 1 . 2]" 1
451 1 62 LEU H 1 63 PHE H 4.000 . 5.000 2.718 2.646 2.800 . 0 0 "[ . 1 . 2]" 1
452 1 62 LEU H 1 64 GLU H 4.000 . 5.000 4.300 4.172 4.348 . 0 0 "[ . 1 . 2]" 1
453 1 62 LEU HB2 1 65 ARG H 3.000 . 6.000 6.050 6.020 6.081 0.081 1 0 "[ . 1 . 2]" 1
454 1 62 LEU HA 1 104 LEU MD1 4.100 . 6.000 5.083 4.806 5.284 . 0 0 "[ . 1 . 2]" 1
455 1 62 LEU QB 1 104 LEU MD1 4.000 . 5.000 4.488 4.045 4.798 . 0 0 "[ . 1 . 2]" 1
456 1 62 LEU QB 1 104 LEU MD2 4.000 . 5.000 3.818 3.083 4.143 . 0 0 "[ . 1 . 2]" 1
457 1 62 LEU HB3 1 104 LEU MD2 3.500 . 5.100 4.003 3.139 4.380 . 0 0 "[ . 1 . 2]" 1
458 1 62 LEU HB3 1 104 LEU MD1 3.400 . 6.000 4.671 4.184 5.034 . 0 0 "[ . 1 . 2]" 1
459 1 62 LEU HB2 1 104 LEU MD1 3.000 . 6.000 5.814 5.368 6.043 0.043 1 0 "[ . 1 . 2]" 1
460 1 62 LEU HB2 1 104 LEU MD2 3.500 . 6.000 4.849 4.463 5.109 . 0 0 "[ . 1 . 2]" 1
461 1 62 LEU MD1 1 104 LEU MD1 4.000 . 5.000 4.037 2.785 4.455 . 0 0 "[ . 1 . 2]" 1
462 1 62 LEU MD1 1 104 LEU MD2 4.000 . 5.000 2.751 1.863 2.932 . 0 0 "[ . 1 . 2]" 1
463 1 62 LEU MD1 1 104 LEU HG 4.000 . 5.000 4.639 2.820 5.009 0.009 5 0 "[ . 1 . 2]" 1
464 1 62 LEU MD1 1 104 LEU HB3 3.800 . 6.000 5.875 4.676 6.015 0.015 18 0 "[ . 1 . 2]" 1
465 1 62 LEU MD2 1 104 LEU MD1 4.000 . 5.000 4.770 4.219 5.014 0.014 10 0 "[ . 1 . 2]" 1
466 1 62 LEU MD2 1 104 LEU MD2 4.000 . 5.000 3.343 3.022 4.077 . 0 0 "[ . 1 . 2]" 1
467 1 62 LEU HG 1 104 LEU MD1 4.000 . 5.000 3.840 3.176 5.021 0.021 20 0 "[ . 1 . 2]" 1
468 1 62 LEU HG 1 104 LEU MD2 3.000 . 6.000 2.432 1.956 3.280 . 0 0 "[ . 1 . 2]" 1
469 1 62 LEU MD1 1 107 PHE QD 4.000 . 5.000 3.804 3.324 4.324 . 0 0 "[ . 1 . 2]" 1
470 1 62 LEU MD1 1 107 PHE HB2 4.100 . 6.000 5.582 4.224 5.950 . 0 0 "[ . 1 . 2]" 1
471 1 62 LEU MD2 1 107 PHE HB2 3.600 . 6.000 5.315 4.792 6.008 0.008 20 0 "[ . 1 . 2]" 1
472 1 62 LEU MD2 1 107 PHE HB3 4.700 . 6.000 4.506 3.844 5.287 . 0 0 "[ . 1 . 2]" 1
473 1 62 LEU HG 1 107 PHE HB3 4.100 . 6.000 5.572 4.762 6.009 0.009 12 0 "[ . 1 . 2]" 1
474 1 63 PHE HA 1 63 PHE HB3 2.600 . 3.400 2.532 2.481 2.575 . 0 0 "[ . 1 . 2]" 1
475 1 63 PHE HA 1 63 PHE QD 3.200 . 4.500 2.840 1.913 3.122 . 0 0 "[ . 1 . 2]" 1
476 1 63 PHE H 1 63 PHE HB2 3.100 . 4.300 2.395 2.341 2.451 . 0 0 "[ . 1 . 2]" 1
477 1 63 PHE H 1 63 PHE HB3 3.200 . 4.500 3.614 3.595 3.632 . 0 0 "[ . 1 . 2]" 1
478 1 63 PHE H 1 63 PHE QD 2.600 . 3.400 2.327 1.965 3.348 . 0 0 "[ . 1 . 2]" 1
479 1 63 PHE HA 1 64 GLU H 4.000 . 5.000 3.585 3.563 3.597 . 0 0 "[ . 1 . 2]" 1
480 1 63 PHE HA 1 64 GLU HB3 3.900 . 5.800 5.757 5.611 5.800 0.000 9 0 "[ . 1 . 2]" 1
481 1 63 PHE HB3 1 64 GLU H 3.600 . 5.200 3.435 3.315 3.597 . 0 0 "[ . 1 . 2]" 1
482 1 63 PHE HB2 1 64 GLU H 3.200 . 4.400 2.585 2.501 2.673 . 0 0 "[ . 1 . 2]" 1
483 1 63 PHE H 1 64 GLU HG3 4.800 . 6.000 6.041 6.003 6.176 0.176 2 0 "[ . 1 . 2]" 1
484 1 63 PHE H 1 64 GLU H 2.600 . 3.500 2.517 2.438 2.557 . 0 0 "[ . 1 . 2]" 1
485 1 63 PHE HA 1 65 ARG H 4.000 . 5.000 3.897 3.801 4.171 . 0 0 "[ . 1 . 2]" 1
486 1 63 PHE HA 1 66 TYR QD 3.000 . 6.000 3.544 2.939 3.955 . 0 0 "[ . 1 . 2]" 1
487 1 63 PHE HA 1 66 TYR QE 3.800 . 5.600 5.329 4.487 5.601 0.001 17 0 "[ . 1 . 2]" 1
488 1 63 PHE QD 1 66 TYR HB2 4.700 . 6.000 5.453 4.577 5.997 . 0 0 "[ . 1 . 2]" 1
489 1 63 PHE H 1 66 TYR H 3.400 . 6.000 5.263 5.094 5.433 . 0 0 "[ . 1 . 2]" 1
490 1 63 PHE QB 1 69 ILE MD 4.000 . 5.000 3.814 2.760 4.982 . 0 0 "[ . 1 . 2]" 1
491 1 63 PHE HB3 1 69 ILE MD 3.000 . 6.000 4.798 3.398 5.998 . 0 0 "[ . 1 . 2]" 1
492 1 63 PHE HB2 1 69 ILE MD 2.600 . 6.000 4.007 2.920 5.324 . 0 0 "[ . 1 . 2]" 1
493 1 63 PHE H 1 69 ILE MG 3.700 . 6.000 5.284 4.781 5.850 . 0 0 "[ . 1 . 2]" 1
494 1 63 PHE H 1 69 ILE HG12 4.300 . 6.000 5.988 5.783 6.030 0.030 19 0 "[ . 1 . 2]" 1
495 1 63 PHE HB3 1 89 VAL MG2 3.000 . 6.000 2.760 2.512 3.182 . 0 0 "[ . 1 . 2]" 1
496 1 63 PHE HB2 1 89 VAL MG2 2.900 . 6.000 2.970 2.886 3.020 . 0 0 "[ . 1 . 2]" 1
497 1 63 PHE QD 1 89 VAL MG2 2.900 . 6.000 2.474 2.009 3.823 . 0 0 "[ . 1 . 2]" 1
498 1 63 PHE H 1 89 VAL MG2 4.000 . 5.000 4.970 4.902 5.044 0.044 12 0 "[ . 1 . 2]" 1
499 1 63 PHE HA 1 104 LEU MD1 4.000 . 5.000 1.803 1.768 1.857 0.032 20 0 "[ . 1 . 2]" 1
500 1 63 PHE HB3 1 104 LEU HB3 3.800 . 5.600 5.537 5.095 5.650 0.050 8 0 "[ . 1 . 2]" 1
501 1 63 PHE HB3 1 104 LEU MD1 3.900 . 5.800 2.915 2.726 3.501 . 0 0 "[ . 1 . 2]" 1
502 1 63 PHE QD 1 104 LEU MD1 3.200 . 6.000 2.364 1.827 2.662 . 0 0 "[ . 1 . 2]" 1
503 1 63 PHE H 1 104 LEU MD1 4.000 . 5.000 4.041 3.846 4.344 . 0 0 "[ . 1 . 2]" 1
504 1 64 GLU HA 1 64 GLU HB2 2.800 . 3.800 2.294 2.218 2.316 . 0 0 "[ . 1 . 2]" 1
505 1 64 GLU HA 1 64 GLU HB3 2.800 . 3.800 2.614 2.581 2.741 . 0 0 "[ . 1 . 2]" 1
506 1 64 GLU HA 1 64 GLU QG 3.000 . 4.100 3.302 3.276 3.318 . 0 0 "[ . 1 . 2]" 1
507 1 64 GLU H 1 64 GLU HB2 2.700 . 3.600 3.564 3.409 3.596 . 0 0 "[ . 1 . 2]" 1
508 1 64 GLU H 1 64 GLU HG2 3.900 . 5.800 2.967 2.767 4.349 . 0 0 "[ . 1 . 2]" 1
509 1 64 GLU H 1 64 GLU HG3 3.800 . 5.600 4.036 3.983 4.140 . 0 0 "[ . 1 . 2]" 1
510 1 64 GLU HA 1 65 ARG H 3.300 . 4.600 3.481 3.443 3.534 . 0 0 "[ . 1 . 2]" 1
511 1 64 GLU HB3 1 65 ARG HA 3.800 . 5.600 5.569 5.437 5.614 0.014 16 0 "[ . 1 . 2]" 1
512 1 64 GLU HG3 1 65 ARG HA 4.100 . 6.000 3.501 3.131 4.981 . 0 0 "[ . 1 . 2]" 1
513 1 64 GLU HG3 1 65 ARG H 4.100 . 6.000 3.426 3.069 4.509 . 0 0 "[ . 1 . 2]" 1
514 1 64 GLU H 1 65 ARG H 2.800 . 3.800 2.752 2.713 2.795 . 0 0 "[ . 1 . 2]" 1
515 1 64 GLU HA 1 66 TYR H 4.000 . 5.000 4.263 3.801 4.527 . 0 0 "[ . 1 . 2]" 1
516 1 64 GLU QB 1 66 TYR H 4.000 . 6.000 5.296 5.002 5.460 . 0 0 "[ . 1 . 2]" 1
517 1 64 GLU HG2 1 66 TYR H 4.100 . 6.000 5.234 5.039 5.437 . 0 0 "[ . 1 . 2]" 1
518 1 64 GLU H 1 66 TYR H 4.200 . 6.000 4.636 4.372 4.779 . 0 0 "[ . 1 . 2]" 1
519 1 64 GLU HA 1 67 GLY H 2.700 . 3.600 2.969 2.651 3.124 . 0 0 "[ . 1 . 2]" 1
520 1 64 GLU HB2 1 67 GLY HA2 4.600 . 6.000 6.000 5.699 6.070 0.070 20 0 "[ . 1 . 2]" 1
521 1 64 GLU HG3 1 67 GLY H 4.200 . 6.000 5.148 4.820 6.011 0.011 13 0 "[ . 1 . 2]" 1
522 1 64 GLU H 1 67 GLY H 3.400 . 4.800 4.785 4.670 4.858 0.058 3 0 "[ . 1 . 2]" 1
523 1 64 GLU HA 1 68 PRO HG3 3.100 . 6.000 5.021 4.862 5.237 . 0 0 "[ . 1 . 2]" 1
524 1 64 GLU HG3 1 68 PRO HG3 3.300 . 4.600 4.623 4.601 4.687 0.087 2 0 "[ . 1 . 2]" 1
525 1 64 GLU HG3 1 68 PRO HA 3.400 . 4.900 3.651 3.441 3.903 . 0 0 "[ . 1 . 2]" 1
526 1 64 GLU HA 1 69 ILE H 4.000 . 5.000 2.962 2.543 3.441 . 0 0 "[ . 1 . 2]" 1
527 1 64 GLU HA 1 69 ILE MD 4.000 . 5.000 4.215 3.402 4.852 . 0 0 "[ . 1 . 2]" 1
528 1 64 GLU HB3 1 69 ILE MD 4.100 . 6.000 2.608 2.018 3.237 . 0 0 "[ . 1 . 2]" 1
529 1 64 GLU HB2 1 69 ILE HB 4.400 . 6.000 5.216 4.784 5.752 . 0 0 "[ . 1 . 2]" 1
530 1 64 GLU HG3 1 69 ILE MD 3.500 . 5.400 4.910 3.827 5.419 0.019 8 0 "[ . 1 . 2]" 1
531 1 64 GLU H 1 69 ILE MG 3.200 . 5.000 3.849 3.437 4.433 . 0 0 "[ . 1 . 2]" 1
532 1 64 GLU H 1 69 ILE H 4.100 . 6.000 4.798 4.519 5.057 . 0 0 "[ . 1 . 2]" 1
533 1 64 GLU H 1 89 VAL MG2 4.000 . 5.000 4.947 4.372 5.060 0.060 15 0 "[ . 1 . 2]" 1
534 1 64 GLU HA 1 91 PHE QE 3.300 . 6.000 3.880 3.381 4.799 . 0 0 "[ . 1 . 2]" 1
535 1 64 GLU H 1 91 PHE QE 4.800 . 6.000 4.440 3.992 5.179 . 0 0 "[ . 1 . 2]" 1
536 1 64 GLU H 1 104 LEU MD1 4.000 . 5.000 4.703 4.559 4.917 . 0 0 "[ . 1 . 2]" 1
537 1 65 ARG HA 1 65 ARG HG2 2.900 . 3.900 3.107 2.058 3.811 . 0 0 "[ . 1 . 2]" 1
538 1 65 ARG HA 1 65 ARG HG3 3.400 . 4.800 3.146 2.403 3.778 . 0 0 "[ . 1 . 2]" 1
539 1 65 ARG HA 1 65 ARG HD2 4.000 . 6.000 3.801 2.136 5.517 . 0 0 "[ . 1 . 2]" 1
540 1 65 ARG HA 1 65 ARG HB2 2.400 . 3.100 2.627 2.320 2.835 . 0 0 "[ . 1 . 2]" 1
541 1 65 ARG HB3 1 65 ARG HD2 3.400 . 4.900 3.056 2.137 4.230 . 0 0 "[ . 1 . 2]" 1
542 1 65 ARG HA 1 65 ARG HB3 2.900 . 3.900 2.846 2.529 3.014 . 0 0 "[ . 1 . 2]" 1
543 1 65 ARG HB2 1 65 ARG HD2 3.000 . 4.100 3.301 2.274 4.011 . 0 0 "[ . 1 . 2]" 1
544 1 65 ARG H 1 65 ARG HB2 3.200 . 4.500 2.498 2.015 3.591 . 0 0 "[ . 1 . 2]" 1
545 1 65 ARG H 1 65 ARG HG2 3.700 . 5.400 3.883 2.538 4.550 . 0 0 "[ . 1 . 2]" 1
546 1 65 ARG H 1 65 ARG HG3 3.500 . 5.000 4.188 3.549 4.584 . 0 0 "[ . 1 . 2]" 1
547 1 65 ARG H 1 65 ARG HB3 2.400 . 3.100 2.874 2.295 3.213 0.113 10 0 "[ . 1 . 2]" 1
548 1 65 ARG H 1 65 ARG HD2 3.300 . 6.000 4.608 3.192 5.782 . 0 0 "[ . 1 . 2]" 1
549 1 65 ARG HA 1 66 TYR H 3.100 . 4.300 3.545 3.503 3.564 . 0 0 "[ . 1 . 2]" 1
550 1 65 ARG HB3 1 66 TYR H 2.800 . 3.800 2.836 2.345 3.823 0.023 2 0 "[ . 1 . 2]" 1
551 1 65 ARG HB2 1 66 TYR H 4.000 . 6.000 3.470 3.166 3.933 . 0 0 "[ . 1 . 2]" 1
552 1 65 ARG HG3 1 66 TYR QE 3.000 . 6.000 4.903 3.234 6.000 . 0 0 "[ . 1 . 2]" 1
553 1 65 ARG HG3 1 66 TYR H 3.500 . 5.000 4.206 2.401 5.014 0.014 10 0 "[ . 1 . 2]" 1
554 1 65 ARG HG2 1 66 TYR HA 4.300 . 6.000 5.318 4.145 6.004 0.004 9 0 "[ . 1 . 2]" 1
555 1 65 ARG HG2 1 66 TYR H 3.800 . 5.600 4.126 1.982 5.134 0.018 18 0 "[ . 1 . 2]" 1
556 1 65 ARG H 1 66 TYR HB2 4.300 . 6.000 4.948 4.783 5.209 . 0 0 "[ . 1 . 2]" 1
557 1 65 ARG H 1 66 TYR H 2.600 . 3.500 2.797 2.662 2.888 . 0 0 "[ . 1 . 2]" 1
558 1 65 ARG HB3 1 67 GLY H 4.500 . 6.000 4.807 4.456 5.497 . 0 0 "[ . 1 . 2]" 1
559 1 65 ARG HB2 1 67 GLY H 3.300 . 6.000 5.169 4.929 5.591 . 0 0 "[ . 1 . 2]" 1
560 1 65 ARG H 1 67 GLY H 3.500 . 5.000 3.743 3.649 3.872 . 0 0 "[ . 1 . 2]" 1
561 1 65 ARG HA 1 68 PRO HG3 3.500 . 6.000 5.150 4.945 5.320 . 0 0 "[ . 1 . 2]" 1
562 1 65 ARG H 1 104 LEU MD1 4.000 . 5.000 4.684 4.393 4.921 . 0 0 "[ . 1 . 2]" 1
563 1 66 TYR HA 1 66 TYR HB3 2.600 . 3.500 2.544 2.425 2.614 . 0 0 "[ . 1 . 2]" 1
564 1 66 TYR HA 1 66 TYR QD 2.800 . 3.800 2.729 2.102 3.132 . 0 0 "[ . 1 . 2]" 1
565 1 66 TYR H 1 66 TYR QD 3.200 . 4.000 2.678 1.996 3.427 . 0 0 "[ . 1 . 2]" 1
566 1 66 TYR HA 1 67 GLY H 4.000 . 5.000 3.382 3.340 3.439 . 0 0 "[ . 1 . 2]" 1
567 1 66 TYR HB3 1 67 GLY H 3.800 . 5.600 4.084 3.912 4.299 . 0 0 "[ . 1 . 2]" 1
568 1 66 TYR HB2 1 67 GLY H 3.400 . 4.800 3.374 3.229 3.449 . 0 0 "[ . 1 . 2]" 1
569 1 66 TYR QD 1 67 GLY H 3.500 . 5.000 4.596 4.329 4.814 . 0 0 "[ . 1 . 2]" 1
570 1 66 TYR H 1 67 GLY H 4.000 . 5.000 2.416 2.257 2.507 . 0 0 "[ . 1 . 2]" 1
571 1 66 TYR HB2 1 91 PHE QE 3.300 . 4.700 3.747 3.515 3.944 . 0 0 "[ . 1 . 2]" 1
572 1 66 TYR HB2 1 91 PHE QD 3.900 . 5.800 5.789 5.631 5.819 0.019 1 0 "[ . 1 . 2]" 1
573 1 66 TYR H 1 91 PHE QE 3.600 . 5.300 4.927 4.593 5.264 . 0 0 "[ . 1 . 2]" 1
574 1 66 TYR HA 1 99 GLN HB2 4.200 . 6.000 5.672 5.253 5.967 . 0 0 "[ . 1 . 2]" 1
575 1 66 TYR HB3 1 99 GLN H 4.700 . 6.000 6.018 6.006 6.029 0.029 3 0 "[ . 1 . 2]" 1
576 1 66 TYR HB2 1 99 GLN HB2 4.100 . 6.000 5.557 4.828 6.002 0.002 6 0 "[ . 1 . 2]" 1
577 1 66 TYR HB2 1 100 ALA MB 3.400 . 4.900 3.980 3.655 4.469 . 0 0 "[ . 1 . 2]" 1
578 1 66 TYR HB2 1 100 ALA H 4.000 . 6.000 5.463 5.240 5.647 . 0 0 "[ . 1 . 2]" 1
579 1 66 TYR H 1 100 ALA HA 4.400 . 6.000 5.656 5.374 6.023 0.023 18 0 "[ . 1 . 2]" 1
580 1 66 TYR HB2 1 104 LEU HG 4.100 . 6.000 3.536 3.185 4.046 . 0 0 "[ . 1 . 2]" 1
581 1 66 TYR QD 1 104 LEU MD1 4.000 . 5.000 2.492 1.913 3.444 . 0 0 "[ . 1 . 2]" 1
582 1 66 TYR QE 1 104 LEU MD1 4.000 . 5.000 4.133 3.749 4.705 . 0 0 "[ . 1 . 2]" 1
583 1 66 TYR QE 1 104 LEU MD2 3.000 . 6.000 3.251 2.337 4.697 . 0 0 "[ . 1 . 2]" 1
584 1 67 GLY HA3 1 68 PRO HD2 3.100 . 4.300 3.723 3.669 3.789 . 0 0 "[ . 1 . 2]" 1
585 1 67 GLY HA3 1 68 PRO HA 3.900 . 5.800 5.040 5.034 5.044 . 0 0 "[ . 1 . 2]" 1
586 1 67 GLY HA2 1 68 PRO HD2 2.400 . 3.100 2.236 2.212 2.297 . 0 0 "[ . 1 . 2]" 1
587 1 67 GLY H 1 68 PRO HD2 3.800 . 5.600 4.366 4.297 4.449 . 0 0 "[ . 1 . 2]" 1
588 1 67 GLY H 1 68 PRO HB2 4.200 . 6.000 6.072 6.049 6.096 0.096 3 0 "[ . 1 . 2]" 1
589 1 67 GLY H 1 69 ILE HG12 4.200 . 6.000 6.029 5.698 6.120 0.120 12 0 "[ . 1 . 2]" 1
590 1 67 GLY HA2 1 91 PHE QE 5.300 . 6.000 4.361 4.068 4.922 . 0 0 "[ . 1 . 2]" 1
591 1 67 GLY H 1 91 PHE QE 3.000 . 6.000 4.011 3.586 4.537 . 0 0 "[ . 1 . 2]" 1
592 1 68 PRO HA 1 68 PRO HG2 3.200 . 4.500 3.840 3.787 3.862 . 0 0 "[ . 1 . 2]" 1
593 1 68 PRO HA 1 68 PRO HG3 2.800 . 3.800 2.814 2.688 2.867 . 0 0 "[ . 1 . 2]" 1
594 1 68 PRO HA 1 68 PRO HB3 2.200 . 2.800 2.332 2.327 2.341 . 0 0 "[ . 1 . 2]" 1
595 1 68 PRO HA 1 68 PRO HD2 3.700 . 5.400 3.911 3.886 3.921 . 0 0 "[ . 1 . 2]" 1
596 1 68 PRO HA 1 69 ILE MG 3.700 . 5.400 4.277 4.137 4.747 . 0 0 "[ . 1 . 2]" 1
597 1 68 PRO HA 1 69 ILE HB 4.400 . 6.000 5.646 5.526 5.706 . 0 0 "[ . 1 . 2]" 1
598 1 68 PRO HB3 1 69 ILE H 3.400 . 4.800 3.627 3.335 3.776 . 0 0 "[ . 1 . 2]" 1
599 1 68 PRO HG3 1 69 ILE H 4.500 . 6.000 4.865 4.654 4.942 . 0 0 "[ . 1 . 2]" 1
600 1 68 PRO HG2 1 69 ILE H 4.300 . 6.000 5.660 5.536 5.714 . 0 0 "[ . 1 . 2]" 1
601 1 69 ILE HB 1 69 ILE MG 2.200 . 2.800 2.105 2.090 2.123 . 0 0 "[ . 1 . 2]" 1
602 1 69 ILE HA 1 69 ILE HB 2.900 . 4.000 2.645 2.560 2.802 . 0 0 "[ . 1 . 2]" 1
603 1 69 ILE H 1 69 ILE MD 4.000 . 5.000 3.476 3.368 3.534 . 0 0 "[ . 1 . 2]" 1
604 1 69 ILE HA 1 69 ILE MD 3.700 . 5.400 4.126 3.911 4.187 . 0 0 "[ . 1 . 2]" 1
605 1 69 ILE HA 1 69 ILE MG 2.700 . 3.600 2.178 1.968 2.240 . 0 0 "[ . 1 . 2]" 1
606 1 69 ILE H 1 69 ILE HB 3.000 . 4.100 3.559 3.411 3.608 . 0 0 "[ . 1 . 2]" 1
607 1 69 ILE HA 1 70 GLU H 4.000 . 5.000 2.228 2.221 2.246 . 0 0 "[ . 1 . 2]" 1
608 1 69 ILE HB 1 70 GLU H 3.600 . 5.200 2.882 2.800 3.021 . 0 0 "[ . 1 . 2]" 1
609 1 69 ILE MG 1 70 GLU H 3.400 . 4.900 3.343 2.698 3.557 . 0 0 "[ . 1 . 2]" 1
610 1 69 ILE H 1 70 GLU H 3.900 . 5.800 4.583 4.546 4.593 . 0 0 "[ . 1 . 2]" 1
611 1 69 ILE HA 1 71 SER H 4.200 . 6.000 4.081 3.874 4.455 . 0 0 "[ . 1 . 2]" 1
612 1 69 ILE HB 1 71 SER H 3.300 . 4.700 3.462 3.188 3.916 . 0 0 "[ . 1 . 2]" 1
613 1 69 ILE MD 1 71 SER HA 3.400 . 6.000 5.180 4.279 6.082 0.082 18 0 "[ . 1 . 2]" 1
614 1 69 ILE MG 1 71 SER H 3.000 . 6.000 4.117 3.363 4.781 . 0 0 "[ . 1 . 2]" 1
615 1 69 ILE HB 1 72 VAL MG1 3.800 . 5.700 2.788 1.793 3.977 0.107 12 0 "[ . 1 . 2]" 1
616 1 69 ILE MD 1 72 VAL HB 4.000 . 6.000 2.385 1.959 3.730 0.041 16 0 "[ . 1 . 2]" 1
617 1 69 ILE MD 1 72 VAL H 3.900 . 5.800 3.936 3.163 4.866 . 0 0 "[ . 1 . 2]" 1
618 1 69 ILE MG 1 72 VAL HA 4.000 . 5.000 3.968 3.304 4.421 . 0 0 "[ . 1 . 2]" 1
619 1 69 ILE MG 1 72 VAL MG1 2.400 . 6.000 3.300 1.783 3.943 . 0 0 "[ . 1 . 2]" 1
620 1 69 ILE H 1 72 VAL MG1 4.700 . 6.000 5.068 4.240 6.015 0.015 7 0 "[ . 1 . 2]" 1
621 1 69 ILE HB 1 73 LYS H 4.800 . 6.000 6.147 6.069 6.253 0.253 2 0 "[ . 1 . 2]" 1
622 1 69 ILE HB 1 89 VAL MG2 3.700 . 5.400 4.980 2.324 5.487 0.087 18 0 "[ . 1 . 2]" 1
623 1 69 ILE MD 1 89 VAL MG1 3.200 . 4.500 2.487 1.840 4.023 0.060 18 0 "[ . 1 . 2]" 1
624 1 69 ILE MG 1 89 VAL MG1 3.600 . 5.300 2.181 1.889 2.938 0.011 15 0 "[ . 1 . 2]" 1
625 1 69 ILE MG 1 89 VAL MG2 2.600 . 6.000 2.928 1.605 3.206 . 0 0 "[ . 1 . 2]" 1
626 1 69 ILE MG 1 89 VAL HA 3.100 . 4.300 3.106 2.474 4.015 . 0 0 "[ . 1 . 2]" 1
627 1 69 ILE MG 1 89 VAL HB 3.400 . 4.900 2.175 1.798 3.943 0.102 18 0 "[ . 1 . 2]" 1
628 1 69 ILE MG 1 90 LYS HA 4.600 . 6.000 3.996 3.636 4.413 . 0 0 "[ . 1 . 2]" 1
629 1 69 ILE MG 1 90 LYS H 3.200 . 6.000 3.105 2.689 3.820 . 0 0 "[ . 1 . 2]" 1
630 1 69 ILE HA 1 91 PHE HA 2.000 . 2.500 1.863 1.741 1.958 . 0 0 "[ . 1 . 2]" 1
631 1 69 ILE HA 1 91 PHE HB2 5.300 . 6.000 4.830 4.734 4.902 . 0 0 "[ . 1 . 2]" 1
632 1 69 ILE HB 1 91 PHE HA 4.100 . 6.000 4.145 3.568 4.479 . 0 0 "[ . 1 . 2]" 1
633 1 69 ILE HB 1 91 PHE H 3.500 . 6.000 5.640 5.229 6.010 0.010 18 0 "[ . 1 . 2]" 1
634 1 69 ILE MD 1 91 PHE QE 3.600 . 6.000 4.261 2.776 5.020 . 0 0 "[ . 1 . 2]" 1
635 1 69 ILE MG 1 91 PHE QE 3.600 . 5.300 2.120 1.947 2.429 . 0 0 "[ . 1 . 2]" 1
636 1 69 ILE MG 1 91 PHE HA 3.300 . 6.000 2.786 2.271 3.004 . 0 0 "[ . 1 . 2]" 1
637 1 69 ILE HA 1 92 GLN H 4.000 . 5.000 3.090 2.548 3.392 . 0 0 "[ . 1 . 2]" 1
638 1 69 ILE MG 1 92 GLN H 3.000 . 6.000 4.470 3.835 4.735 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLU HA 1 70 GLU HG3 3.100 . 4.300 2.860 2.191 3.606 . 0 0 "[ . 1 . 2]" 1
640 1 70 GLU H 1 70 GLU HB2 3.500 . 5.100 2.542 2.226 2.843 . 0 0 "[ . 1 . 2]" 1
641 1 70 GLU H 1 70 GLU HG2 4.400 . 6.000 4.426 3.879 4.694 . 0 0 "[ . 1 . 2]" 1
642 1 70 GLU H 1 70 GLU HG3 4.500 . 6.000 4.478 4.138 4.728 . 0 0 "[ . 1 . 2]" 1
643 1 70 GLU HA 1 71 SER H 4.000 . 5.000 3.509 3.477 3.557 . 0 0 "[ . 1 . 2]" 1
644 1 70 GLU HG3 1 71 SER H 3.900 . 5.800 4.868 4.195 5.200 . 0 0 "[ . 1 . 2]" 1
645 1 70 GLU HG2 1 71 SER H 3.800 . 5.600 4.431 3.872 5.015 . 0 0 "[ . 1 . 2]" 1
646 1 70 GLU H 1 71 SER H 4.000 . 5.000 2.076 1.949 2.321 . 0 0 "[ . 1 . 2]" 1
647 1 70 GLU H 1 72 VAL H 4.000 . 5.000 5.187 5.114 5.259 0.259 4 0 "[ . 1 . 2]" 1
648 1 70 GLU H 1 90 LYS HB3 3.700 . 5.400 3.661 3.476 3.934 . 0 0 "[ . 1 . 2]" 1
649 1 70 GLU H 1 90 LYS H 3.800 . 5.600 4.367 4.115 4.797 . 0 0 "[ . 1 . 2]" 1
650 1 70 GLU HB2 1 91 PHE HB3 2.500 . 6.000 5.791 5.575 6.003 0.003 3 0 "[ . 1 . 2]" 1
651 1 70 GLU H 1 91 PHE HA 3.100 . 4.300 2.937 2.800 3.049 . 0 0 "[ . 1 . 2]" 1
652 1 70 GLU HA 1 92 GLN H 4.000 . 5.000 5.041 5.018 5.057 0.057 4 0 "[ . 1 . 2]" 1
653 1 70 GLU HB2 1 92 GLN HA 2.500 . 3.300 2.016 1.958 2.273 . 0 0 "[ . 1 . 2]" 1
654 1 70 GLU H 1 92 GLN H 4.000 . 5.000 3.669 3.323 3.800 . 0 0 "[ . 1 . 2]" 1
655 1 70 GLU H 1 92 GLN HG2 4.100 . 6.000 4.015 3.392 4.533 . 0 0 "[ . 1 . 2]" 1
656 1 70 GLU H 1 92 GLN HA 4.000 . 5.000 3.897 3.321 4.084 . 0 0 "[ . 1 . 2]" 1
657 1 71 SER HA 1 71 SER QB 2.100 . 2.700 2.357 2.190 2.508 . 0 0 "[ . 1 . 2]" 1
658 1 71 SER HA 1 72 VAL H 3.200 . 4.000 2.105 2.076 2.123 . 0 0 "[ . 1 . 2]" 1
659 1 71 SER HA 1 72 VAL MG1 3.800 . 5.600 3.823 3.328 5.465 . 0 0 "[ . 1 . 2]" 1
660 1 71 SER QB 1 72 VAL HA 4.400 . 6.000 4.483 4.257 4.818 . 0 0 "[ . 1 . 2]" 1
661 1 71 SER QB 1 72 VAL H 3.100 . 4.300 3.709 3.511 3.912 . 0 0 "[ . 1 . 2]" 1
662 1 71 SER H 1 72 VAL HA 3.100 . 6.000 4.564 4.431 4.873 . 0 0 "[ . 1 . 2]" 1
663 1 71 SER H 1 72 VAL MG1 3.900 . 5.800 4.483 3.488 5.752 . 0 0 "[ . 1 . 2]" 1
664 1 71 SER H 1 72 VAL H 4.000 . 5.000 3.860 3.762 4.056 . 0 0 "[ . 1 . 2]" 1
665 1 71 SER HA 1 73 LYS H 4.300 . 6.000 6.010 5.814 6.137 0.137 12 0 "[ . 1 . 2]" 1
666 1 71 SER HA 1 90 LYS HB3 4.200 . 6.000 4.434 4.214 4.731 . 0 0 "[ . 1 . 2]" 1
667 1 71 SER H 1 90 LYS HG2 4.300 . 6.000 3.772 3.324 4.100 . 0 0 "[ . 1 . 2]" 1
668 1 71 SER H 1 90 LYS HB3 2.700 . 3.600 2.409 2.140 2.823 . 0 0 "[ . 1 . 2]" 1
669 1 71 SER H 1 90 LYS HA 4.000 . 5.000 4.804 4.678 5.012 0.012 12 0 "[ . 1 . 2]" 1
670 1 71 SER H 1 90 LYS H 4.000 . 5.000 3.596 3.298 3.921 . 0 0 "[ . 1 . 2]" 1
671 1 71 SER H 1 91 PHE QD 5.200 . 6.000 5.383 5.133 5.600 . 0 0 "[ . 1 . 2]" 1
672 1 71 SER H 1 92 GLN HG2 4.700 . 6.000 5.500 5.171 5.944 . 0 0 "[ . 1 . 2]" 1
673 1 71 SER H 1 92 GLN HA 4.600 . 6.000 5.119 4.789 5.380 . 0 0 "[ . 1 . 2]" 1
674 1 72 VAL HA 1 72 VAL MG1 2.400 . 3.100 2.886 2.126 3.182 0.082 16 0 "[ . 1 . 2]" 1
675 1 72 VAL HA 1 72 VAL HB 2.600 . 3.400 2.427 2.274 3.008 . 0 0 "[ . 1 . 2]" 1
676 1 72 VAL H 1 72 VAL MG1 4.000 . 5.000 2.279 1.858 3.870 . 0 0 "[ . 1 . 2]" 1
677 1 72 VAL H 1 72 VAL MG2 4.000 . 5.000 3.264 1.929 3.832 . 0 0 "[ . 1 . 2]" 1
678 1 72 VAL H 1 72 VAL HB 3.000 . 4.100 3.264 2.712 3.731 . 0 0 "[ . 1 . 2]" 1
679 1 72 VAL HB 1 73 LYS H 3.100 . 4.300 3.613 2.460 4.006 . 0 0 "[ . 1 . 2]" 1
680 1 72 VAL MG2 1 73 LYS HB2 3.800 . 5.600 4.750 4.371 5.793 0.193 7 0 "[ . 1 . 2]" 1
681 1 72 VAL MG2 1 73 LYS H 2.700 . 6.000 2.690 2.057 4.084 . 0 0 "[ . 1 . 2]" 1
682 1 72 VAL H 1 73 LYS H 4.000 . 5.000 4.448 4.382 4.468 . 0 0 "[ . 1 . 2]" 1
683 1 72 VAL HA 1 88 PHE HB2 4.800 . 6.000 5.581 5.123 6.038 0.038 4 0 "[ . 1 . 2]" 1
684 1 72 VAL MG2 1 88 PHE H 3.100 . 6.000 4.447 3.597 6.118 0.118 18 0 "[ . 1 . 2]" 1
685 1 72 VAL HA 1 89 VAL MG2 3.600 . 5.200 4.573 2.495 5.052 . 0 0 "[ . 1 . 2]" 1
686 1 72 VAL HA 1 89 VAL HB 4.600 . 6.000 4.464 3.894 4.771 . 0 0 "[ . 1 . 2]" 1
687 1 72 VAL HA 1 89 VAL MG1 3.300 . 6.000 3.347 2.663 4.744 . 0 0 "[ . 1 . 2]" 1
688 1 72 VAL HA 1 89 VAL HA 2.200 . 2.800 2.174 1.908 2.355 . 0 0 "[ . 1 . 2]" 1
689 1 72 VAL HA 1 89 VAL H 4.200 . 6.000 4.785 4.619 5.073 . 0 0 "[ . 1 . 2]" 1
690 1 72 VAL MG1 1 89 VAL HA 2.800 . 4.100 3.675 1.804 4.214 0.114 14 0 "[ . 1 . 2]" 1
691 1 72 VAL HA 1 90 LYS H 3.300 . 4.600 2.553 2.125 3.221 . 0 0 "[ . 1 . 2]" 1
692 1 72 VAL MG1 1 90 LYS H 3.400 . 4.800 4.222 2.542 4.697 . 0 0 "[ . 1 . 2]" 1
693 1 73 LYS HB2 1 73 LYS HE2 4.300 . 6.000 4.540 3.562 5.024 . 0 0 "[ . 1 . 2]" 1
694 1 73 LYS HA 1 73 LYS HB2 2.200 . 2.800 2.346 2.305 2.420 . 0 0 "[ . 1 . 2]" 1
695 1 73 LYS H 1 73 LYS QG 4.000 . 5.000 4.004 3.898 4.137 . 0 0 "[ . 1 . 2]" 1
696 1 73 LYS HE2 1 73 LYS HG2 2.900 . 4.000 3.023 2.094 3.889 . 0 0 "[ . 1 . 2]" 1
697 1 73 LYS HG2 1 74 ILE HA 3.200 . 4.500 3.572 3.434 3.778 . 0 0 "[ . 1 . 2]" 1
698 1 73 LYS HG2 1 74 ILE HB 3.200 . 4.500 4.474 4.296 4.540 0.040 15 0 "[ . 1 . 2]" 1
699 1 73 LYS HG2 1 74 ILE MG 3.100 . 6.000 4.631 4.073 4.826 . 0 0 "[ . 1 . 2]" 1
700 1 73 LYS H 1 74 ILE H 4.000 . 5.000 4.370 4.287 4.430 . 0 0 "[ . 1 . 2]" 1
701 1 73 LYS H 1 75 VAL MG2 4.500 . 6.000 5.785 5.490 6.023 0.023 17 0 "[ . 1 . 2]" 1
702 1 73 LYS HE2 1 76 CYS H 3.200 . 6.000 5.234 4.161 6.002 0.002 6 0 "[ . 1 . 2]" 1
703 1 73 LYS HG2 1 76 CYS H 3.300 . 6.000 5.259 4.957 5.753 . 0 0 "[ . 1 . 2]" 1
704 1 73 LYS HG2 1 87 GLY HA3 4.000 . 6.000 6.073 6.014 6.165 0.165 7 0 "[ . 1 . 2]" 1
705 1 73 LYS H 1 87 GLY QA 4.000 . 5.000 5.001 4.819 5.077 0.077 16 0 "[ . 1 . 2]" 1
706 1 73 LYS QB 1 88 PHE H 3.100 . 6.000 4.510 3.859 4.853 . 0 0 "[ . 1 . 2]" 1
707 1 73 LYS HB2 1 88 PHE HB3 4.400 . 6.000 5.481 4.402 6.020 0.020 6 0 "[ . 1 . 2]" 1
708 1 73 LYS HB2 1 88 PHE HB2 4.300 . 6.000 5.438 4.881 6.018 0.018 15 0 "[ . 1 . 2]" 1
709 1 73 LYS HG2 1 88 PHE H 3.200 . 6.000 4.394 3.881 4.720 . 0 0 "[ . 1 . 2]" 1
710 1 73 LYS H 1 88 PHE H 4.000 . 5.000 3.428 3.238 3.708 . 0 0 "[ . 1 . 2]" 1
711 1 73 LYS H 1 88 PHE HB2 3.500 . 5.100 3.965 3.520 4.648 . 0 0 "[ . 1 . 2]" 1
712 1 73 LYS H 1 88 PHE HB3 4.000 . 6.000 3.585 3.029 4.353 . 0 0 "[ . 1 . 2]" 1
713 1 73 LYS H 1 88 PHE HA 4.000 . 6.000 4.768 4.645 4.943 . 0 0 "[ . 1 . 2]" 1
714 1 73 LYS H 1 88 PHE QD 4.200 . 6.000 5.156 3.046 5.800 . 0 0 "[ . 1 . 2]" 1
715 1 73 LYS H 1 89 VAL HA 4.000 . 5.000 3.060 2.590 3.295 . 0 0 "[ . 1 . 2]" 1
716 1 73 LYS H 1 89 VAL MG1 4.000 . 5.000 3.753 2.993 5.111 0.111 16 0 "[ . 1 . 2]" 1
717 1 73 LYS H 1 89 VAL MG2 4.000 . 5.000 4.858 3.571 5.103 0.103 12 0 "[ . 1 . 2]" 1
718 1 73 LYS H 1 90 LYS H 4.000 . 5.000 4.151 3.815 4.513 . 0 0 "[ . 1 . 2]" 1
719 1 74 ILE HA 1 74 ILE MG 2.700 . 3.600 2.606 2.438 3.107 . 0 0 "[ . 1 . 2]" 1
720 1 74 ILE HA 1 74 ILE MD 3.100 . 4.300 3.570 2.356 3.856 . 0 0 "[ . 1 . 2]" 1
721 1 74 ILE H 1 74 ILE HB 4.000 . 5.000 2.552 2.465 2.636 . 0 0 "[ . 1 . 2]" 1
722 1 74 ILE HB 1 74 ILE MD 2.900 . 3.900 2.379 2.125 3.216 . 0 0 "[ . 1 . 2]" 1
723 1 74 ILE HA 1 74 ILE HB 2.800 . 3.800 2.962 2.729 3.020 . 0 0 "[ . 1 . 2]" 1
724 1 74 ILE H 1 74 ILE MD 4.000 . 5.000 3.845 3.389 4.437 . 0 0 "[ . 1 . 2]" 1
725 1 74 ILE H 1 74 ILE MG 4.000 . 5.000 3.607 2.783 3.834 . 0 0 "[ . 1 . 2]" 1
726 1 74 ILE HB 1 74 ILE MG 2.300 . 3.000 2.125 2.106 2.130 . 0 0 "[ . 1 . 2]" 1
727 1 74 ILE HA 1 75 VAL H 4.000 . 5.000 2.215 2.162 2.250 . 0 0 "[ . 1 . 2]" 1
728 1 74 ILE HB 1 75 VAL H 3.800 . 5.600 4.112 3.919 4.503 . 0 0 "[ . 1 . 2]" 1
729 1 74 ILE MD 1 75 VAL H 3.400 . 4.900 4.469 2.103 4.959 0.059 7 0 "[ . 1 . 2]" 1
730 1 74 ILE HG12 1 75 VAL H 4.100 . 6.000 4.061 3.612 4.479 . 0 0 "[ . 1 . 2]" 1
731 1 74 ILE MG 1 75 VAL MG2 2.300 . 6.000 4.074 3.747 4.713 . 0 0 "[ . 1 . 2]" 1
732 1 74 ILE MG 1 83 SER HA 3.200 . 6.000 3.698 3.113 4.237 . 0 0 "[ . 1 . 2]" 1
733 1 74 ILE MD 1 86 TYR HA 4.400 . 6.000 5.308 2.989 6.008 0.008 3 0 "[ . 1 . 2]" 1
734 1 74 ILE HG12 1 86 TYR H 3.200 . 6.000 6.055 5.768 6.100 0.100 16 0 "[ . 1 . 2]" 1
735 1 74 ILE HB 1 87 GLY HA3 4.500 . 6.000 4.677 4.243 5.079 . 0 0 "[ . 1 . 2]" 1
736 1 74 ILE MD 1 87 GLY HA2 4.100 . 6.000 3.902 2.153 4.672 . 0 0 "[ . 1 . 2]" 1
737 1 74 ILE MD 1 87 GLY H 3.500 . 6.000 4.933 2.845 5.764 . 0 0 "[ . 1 . 2]" 1
738 1 74 ILE MG 1 87 GLY HA3 3.300 . 4.700 3.167 2.565 4.609 . 0 0 "[ . 1 . 2]" 1
739 1 74 ILE MG 1 87 GLY HA2 3.300 . 4.700 2.520 1.990 3.919 . 0 0 "[ . 1 . 2]" 1
740 1 74 ILE MG 1 87 GLY H 3.800 . 5.600 3.994 3.372 5.635 0.035 12 0 "[ . 1 . 2]" 1
741 1 74 ILE HA 1 88 PHE HA 3.600 . 6.000 4.973 4.696 5.226 . 0 0 "[ . 1 . 2]" 1
742 1 75 VAL H 1 75 VAL MG2 2.900 . 4.000 2.323 1.982 2.705 . 0 0 "[ . 1 . 2]" 1
743 1 75 VAL HA 1 76 CYS H 3.200 . 4.000 2.174 2.123 2.211 . 0 0 "[ . 1 . 2]" 1
744 1 75 VAL MG1 1 76 CYS H 2.700 . 6.000 3.179 2.886 3.390 . 0 0 "[ . 1 . 2]" 1
745 1 75 VAL MG1 1 77 ASP H 3.900 . 5.800 5.241 5.058 5.396 . 0 0 "[ . 1 . 2]" 1
746 1 75 VAL MG1 1 84 ARG H 4.000 . 6.000 5.649 5.278 5.834 . 0 0 "[ . 1 . 2]" 1
747 1 75 VAL H 1 85 GLY HA3 3.900 . 5.800 5.822 5.791 5.859 0.059 17 0 "[ . 1 . 2]" 1
748 1 75 VAL MG1 1 86 TYR H 2.800 . 6.000 3.808 3.146 4.270 . 0 0 "[ . 1 . 2]" 1
749 1 75 VAL MG2 1 86 TYR H 3.400 . 6.000 4.446 3.880 5.025 . 0 0 "[ . 1 . 2]" 1
750 1 75 VAL H 1 86 TYR HB3 4.500 . 6.000 5.905 5.838 6.041 0.041 17 0 "[ . 1 . 2]" 1
751 1 75 VAL H 1 86 TYR H 4.000 . 5.000 3.816 3.732 3.953 . 0 0 "[ . 1 . 2]" 1
752 1 75 VAL MG2 1 87 GLY HA3 5.200 . 6.000 4.579 4.249 5.257 . 0 0 "[ . 1 . 2]" 1
753 1 75 VAL H 1 87 GLY H 4.100 . 6.000 4.146 4.081 4.230 . 0 0 "[ . 1 . 2]" 1
754 1 75 VAL H 1 87 GLY QA 4.000 . 5.000 1.827 1.746 1.963 0.054 14 0 "[ . 1 . 2]" 1
755 1 75 VAL H 1 88 PHE H 4.000 . 5.000 3.718 3.120 4.018 . 0 0 "[ . 1 . 2]" 1
756 1 76 CYS H 1 76 CYS HB3 3.400 . 4.800 3.125 2.692 3.638 . 0 0 "[ . 1 . 2]" 1
757 1 76 CYS HA 1 77 ASP H 2.700 . 3.600 2.476 2.344 2.646 . 0 0 "[ . 1 . 2]" 1
758 1 76 CYS H 1 77 ASP H 4.000 . 5.000 4.566 4.486 4.605 . 0 0 "[ . 1 . 2]" 1
759 1 76 CYS HA 1 83 SER HA 2.800 . 3.800 2.980 2.625 3.459 . 0 0 "[ . 1 . 2]" 1
760 1 76 CYS HB3 1 83 SER HA 3.800 . 5.600 2.575 1.995 3.852 0.005 14 0 "[ . 1 . 2]" 1
761 1 76 CYS HB2 1 83 SER HA 3.300 . 4.700 3.394 2.401 4.602 . 0 0 "[ . 1 . 2]" 1
762 1 76 CYS QB 1 84 ARG H 4.000 . 5.000 3.044 2.532 3.833 . 0 0 "[ . 1 . 2]" 1
763 1 76 CYS HA 1 85 GLY H 4.000 . 6.000 5.138 4.978 5.279 . 0 0 "[ . 1 . 2]" 1
764 1 76 CYS HA 1 86 TYR H 4.000 . 5.000 4.273 4.038 4.556 . 0 0 "[ . 1 . 2]" 1
765 1 77 ASP HA 1 77 ASP HB2 2.500 . 3.300 2.814 2.535 3.011 . 0 0 "[ . 1 . 2]" 1
766 1 77 ASP HA 1 77 ASP HB3 2.600 . 3.400 2.808 2.381 3.008 . 0 0 "[ . 1 . 2]" 1
767 1 77 ASP H 1 77 ASP HB3 3.000 . 4.100 3.178 2.721 3.564 . 0 0 "[ . 1 . 2]" 1
768 1 77 ASP QB 1 80 THR H 4.000 . 5.500 2.666 2.476 2.922 . 0 0 "[ . 1 . 2]" 1
769 1 77 ASP HA 1 81 ARG H 3.300 . 6.000 5.100 4.923 5.310 . 0 0 "[ . 1 . 2]" 1
770 1 77 ASP H 1 81 ARG HA 4.000 . 6.000 4.407 3.917 4.865 . 0 0 "[ . 1 . 2]" 1
771 1 77 ASP H 1 81 ARG QD 4.000 . 6.000 5.779 5.312 6.011 0.011 10 0 "[ . 1 . 2]" 1
772 1 77 ASP QB 1 82 GLN H 2.200 . 3.800 3.045 2.470 3.809 0.009 9 0 "[ . 1 . 2]" 1
773 1 77 ASP H 1 82 GLN H 4.000 . 5.000 3.407 3.027 3.835 . 0 0 "[ . 1 . 2]" 1
774 1 77 ASP H 1 83 SER H 4.100 . 6.000 5.083 4.802 5.329 . 0 0 "[ . 1 . 2]" 1
775 1 77 ASP HA 1 84 ARG HB2 3.500 . 6.000 5.100 3.803 5.865 . 0 0 "[ . 1 . 2]" 1
776 1 77 ASP H 1 84 ARG H 4.000 . 5.000 3.006 2.244 3.397 . 0 0 "[ . 1 . 2]" 1
777 1 77 ASP H 1 84 ARG HB2 3.200 . 4.500 3.309 2.694 4.046 . 0 0 "[ . 1 . 2]" 1
778 1 77 ASP H 1 85 GLY QA 4.000 . 5.000 4.987 4.669 5.013 0.013 10 0 "[ . 1 . 2]" 1
779 1 78 ARG HA 1 78 ARG HG2 3.200 . 4.500 3.385 2.251 4.177 . 0 0 "[ . 1 . 2]" 1
780 1 78 ARG HA 1 78 ARG HB2 2.500 . 3.300 2.572 2.417 2.996 . 0 0 "[ . 1 . 2]" 1
781 1 78 ARG HA 1 79 GLU H 4.000 . 4.500 3.366 3.359 3.393 . 0 0 "[ . 1 . 2]" 1
782 1 78 ARG HB2 1 79 GLU HA 3.200 . 6.000 4.923 4.068 5.678 . 0 0 "[ . 1 . 2]" 1
783 1 78 ARG HB2 1 79 GLU H 3.500 . 5.000 4.062 3.285 4.257 . 0 0 "[ . 1 . 2]" 1
784 1 78 ARG HG2 1 79 GLU HA 3.300 . 6.000 4.994 3.451 6.058 0.058 17 0 "[ . 1 . 2]" 1
785 1 78 ARG HG2 1 79 GLU H 3.400 . 4.800 4.058 2.667 4.793 . 0 0 "[ . 1 . 2]" 1
786 1 78 ARG HA 1 81 ARG HD2 3.900 . 5.800 3.075 2.245 5.124 . 0 0 "[ . 1 . 2]" 1
787 1 79 GLU HA 1 79 GLU HB2 2.500 . 3.300 2.892 2.699 3.020 . 0 0 "[ . 1 . 2]" 1
788 1 79 GLU HA 1 79 GLU HG2 3.000 . 4.100 2.905 2.093 3.553 . 0 0 "[ . 1 . 2]" 1
789 1 79 GLU H 1 79 GLU HB2 2.500 . 3.300 2.203 2.085 2.599 . 0 0 "[ . 1 . 2]" 1
790 1 79 GLU HA 1 80 THR H 3.000 . 4.000 3.562 3.559 3.566 . 0 0 "[ . 1 . 2]" 1
791 1 79 GLU HB2 1 80 THR HA 4.200 . 6.000 5.140 4.472 5.583 . 0 0 "[ . 1 . 2]" 1
792 1 79 GLU HB2 1 80 THR H 2.600 . 3.500 2.848 2.356 3.362 . 0 0 "[ . 1 . 2]" 1
793 1 79 GLU HG2 1 80 THR MG 4.300 . 6.000 4.947 3.243 5.826 . 0 0 "[ . 1 . 2]" 1
794 1 79 GLU HG2 1 80 THR H 4.000 . 6.000 4.706 3.965 4.997 . 0 0 "[ . 1 . 2]" 1
795 1 79 GLU H 1 80 THR MG 4.100 . 6.000 4.836 4.035 6.002 0.002 1 0 "[ . 1 . 2]" 1
796 1 79 GLU H 1 80 THR H 3.000 . 4.100 2.637 2.575 2.678 . 0 0 "[ . 1 . 2]" 1
797 1 79 GLU HA 1 81 ARG H 3.300 . 4.600 4.391 4.300 4.518 . 0 0 "[ . 1 . 2]" 1
798 1 79 GLU QB 1 81 ARG H 3.200 . 4.500 4.159 4.125 4.192 . 0 0 "[ . 1 . 2]" 1
799 1 79 GLU H 1 81 ARG H 4.000 . 5.000 3.387 3.317 3.466 . 0 0 "[ . 1 . 2]" 1
800 1 79 GLU H 1 82 GLN H 4.000 . 5.000 5.021 4.972 5.054 0.054 4 0 "[ . 1 . 2]" 1
801 1 80 THR HA 1 80 THR MG 2.600 . 3.400 2.512 2.055 3.226 . 0 0 "[ . 1 . 2]" 1
802 1 80 THR H 1 80 THR MG 4.000 . 5.000 2.905 2.114 3.868 . 0 0 "[ . 1 . 2]" 1
803 1 80 THR H 1 81 ARG HG2 4.300 . 6.000 4.555 4.198 4.995 . 0 0 "[ . 1 . 2]" 1
804 1 80 THR H 1 81 ARG H 2.900 . 4.000 2.143 2.030 2.220 . 0 0 "[ . 1 . 2]" 1
805 1 80 THR H 1 81 ARG QD 4.000 . 6.000 5.041 4.214 6.003 0.003 2 0 "[ . 1 . 2]" 1
806 1 80 THR HA 1 82 GLN HG2 4.200 . 6.000 4.938 4.126 5.672 . 0 0 "[ . 1 . 2]" 1
807 1 80 THR MG 1 82 GLN H 3.600 . 5.200 3.953 1.997 4.790 0.003 17 0 "[ . 1 . 2]" 1
808 1 80 THR H 1 82 GLN HB2 4.200 . 6.000 4.616 4.442 4.978 . 0 0 "[ . 1 . 2]" 1
809 1 80 THR H 1 82 GLN H 4.000 . 5.000 3.380 3.307 3.441 . 0 0 "[ . 1 . 2]" 1
810 1 81 ARG H 1 81 ARG QD 4.000 . 5.000 3.248 2.549 4.110 . 0 0 "[ . 1 . 2]" 1
811 1 81 ARG H 1 81 ARG HG2 2.800 . 3.800 2.772 2.636 2.960 . 0 0 "[ . 1 . 2]" 1
812 1 81 ARG H 1 81 ARG HG3 3.100 . 4.300 4.290 4.211 4.311 0.011 7 0 "[ . 1 . 2]" 1
813 1 81 ARG HD2 1 82 GLN H 3.200 . 6.000 5.033 4.605 5.893 . 0 0 "[ . 1 . 2]" 1
814 1 81 ARG H 1 82 GLN H 2.800 . 3.800 2.723 2.621 2.781 . 0 0 "[ . 1 . 2]" 1
815 1 82 GLN HA 1 82 GLN HB2 2.800 . 3.800 3.011 2.977 3.024 . 0 0 "[ . 1 . 2]" 1
816 1 82 GLN HA 1 82 GLN HG2 2.600 . 3.500 2.544 2.184 2.988 . 0 0 "[ . 1 . 2]" 1
817 1 82 GLN HB3 1 82 GLN HG2 2.400 . 3.100 2.888 2.615 3.010 . 0 0 "[ . 1 . 2]" 1
818 1 82 GLN H 1 82 GLN HB2 2.600 . 3.400 2.446 2.323 2.673 . 0 0 "[ . 1 . 2]" 1
819 1 82 GLN H 1 82 GLN HB3 3.100 . 4.300 3.649 3.549 3.747 . 0 0 "[ . 1 . 2]" 1
820 1 82 GLN H 1 82 GLN HG2 2.700 . 3.600 3.188 2.541 3.602 0.002 3 0 "[ . 1 . 2]" 1
821 1 82 GLN HA 1 83 SER H 4.000 . 6.000 2.324 2.196 2.556 . 0 0 "[ . 1 . 2]" 1
822 1 82 GLN HB2 1 84 ARG HB2 1.900 . 6.000 3.952 3.364 4.450 . 0 0 "[ . 1 . 2]" 1
823 1 83 SER HA 1 83 SER HB2 3.000 . 4.100 2.835 2.359 3.029 . 0 0 "[ . 1 . 2]" 1
824 1 83 SER HA 1 83 SER HB3 2.800 . 3.800 2.691 2.281 3.022 . 0 0 "[ . 1 . 2]" 1
825 1 83 SER HA 1 84 ARG HB2 4.200 . 6.000 4.339 4.149 4.897 . 0 0 "[ . 1 . 2]" 1
826 1 83 SER QB 1 84 ARG H 4.500 . 6.000 3.666 3.320 4.029 . 0 0 "[ . 1 . 2]" 1
827 1 84 ARG HA 1 84 ARG HG2 3.100 . 4.300 2.489 2.070 3.159 . 0 0 "[ . 1 . 2]" 1
828 1 84 ARG HA 1 84 ARG HB2 2.400 . 3.100 2.844 2.760 3.015 . 0 0 "[ . 1 . 2]" 1
829 1 84 ARG HA 1 84 ARG HD2 3.500 . 5.000 4.339 3.865 4.807 . 0 0 "[ . 1 . 2]" 1
830 1 84 ARG H 1 84 ARG QG 4.000 . 5.000 3.996 3.244 4.215 . 0 0 "[ . 1 . 2]" 1
831 1 84 ARG HA 1 85 GLY H 3.700 . 5.400 2.805 2.671 2.879 . 0 0 "[ . 1 . 2]" 1
832 1 84 ARG HB2 1 85 GLY H 4.000 . 6.000 3.381 2.795 3.476 . 0 0 "[ . 1 . 2]" 1
833 1 84 ARG HD2 1 85 GLY H 4.400 . 6.000 3.908 2.343 5.771 . 0 0 "[ . 1 . 2]" 1
834 1 84 ARG HG2 1 85 GLY HA2 2.700 . 6.000 4.821 4.101 6.022 0.022 17 0 "[ . 1 . 2]" 1
835 1 84 ARG HG2 1 85 GLY H 3.700 . 5.400 2.646 2.022 3.782 . 0 0 "[ . 1 . 2]" 1
836 1 84 ARG H 1 85 GLY HA2 4.700 . 6.000 5.733 5.601 5.851 . 0 0 "[ . 1 . 2]" 1
837 1 84 ARG H 1 85 GLY H 3.100 . 4.300 4.286 4.226 4.331 0.031 14 0 "[ . 1 . 2]" 1
838 1 84 ARG HA 1 86 TYR H 3.500 . 5.100 4.776 4.368 5.010 . 0 0 "[ . 1 . 2]" 1
839 1 84 ARG QB 1 86 TYR H 3.300 . 4.700 4.827 4.788 4.880 0.180 17 0 "[ . 1 . 2]" 1
840 1 84 ARG H 1 86 TYR H 4.000 . 5.000 4.572 4.374 5.001 0.001 19 0 "[ . 1 . 2]" 1
841 1 85 GLY HA3 1 86 TYR H 2.800 . 3.800 2.277 2.175 2.354 . 0 0 "[ . 1 . 2]" 1
842 1 85 GLY HA2 1 86 TYR HB2 4.400 . 6.000 5.907 5.835 5.962 . 0 0 "[ . 1 . 2]" 1
843 1 85 GLY HA2 1 86 TYR H 3.400 . 4.800 3.490 3.424 3.521 . 0 0 "[ . 1 . 2]" 1
844 1 85 GLY H 1 86 TYR H 4.000 . 5.000 4.074 3.762 4.170 . 0 0 "[ . 1 . 2]" 1
845 1 85 GLY H 1 86 TYR QD 4.200 . 6.000 5.363 5.145 5.700 . 0 0 "[ . 1 . 2]" 1
846 1 86 TYR HA 1 86 TYR HB2 2.600 . 3.500 2.720 2.647 2.776 . 0 0 "[ . 1 . 2]" 1
847 1 86 TYR HA 1 86 TYR HB3 2.600 . 3.400 2.266 2.240 2.297 . 0 0 "[ . 1 . 2]" 1
848 1 86 TYR HB3 1 86 TYR QD 2.700 . 3.600 2.346 2.281 2.393 . 0 0 "[ . 1 . 2]" 1
849 1 86 TYR H 1 86 TYR QD 4.000 . 5.000 3.354 2.918 3.463 . 0 0 "[ . 1 . 2]" 1
850 1 86 TYR H 1 86 TYR HB3 3.400 . 4.900 3.877 3.788 3.940 . 0 0 "[ . 1 . 2]" 1
851 1 86 TYR HA 1 87 GLY H 4.000 . 5.000 2.555 2.538 2.567 . 0 0 "[ . 1 . 2]" 1
852 1 86 TYR HA 1 87 GLY HA2 4.600 . 6.000 4.384 4.370 4.421 . 0 0 "[ . 1 . 2]" 1
853 1 86 TYR HB3 1 87 GLY H 3.400 . 4.900 3.189 3.057 3.335 . 0 0 "[ . 1 . 2]" 1
854 1 86 TYR HB2 1 87 GLY H 2.700 . 3.600 2.255 2.184 2.332 . 0 0 "[ . 1 . 2]" 1
855 1 86 TYR QD 1 87 GLY H 3.000 . 6.000 3.975 3.716 4.155 . 0 0 "[ . 1 . 2]" 1
856 1 86 TYR H 1 87 GLY H 4.000 . 5.000 4.374 4.367 4.385 . 0 0 "[ . 1 . 2]" 1
857 1 87 GLY HA3 1 88 PHE H 3.100 . 4.300 2.551 2.401 2.904 . 0 0 "[ . 1 . 2]" 1
858 1 87 GLY H 1 88 PHE H 4.000 . 5.000 4.437 4.365 4.511 . 0 0 "[ . 1 . 2]" 1
859 1 88 PHE HA 1 88 PHE HB2 2.900 . 3.800 2.888 2.388 3.025 . 0 0 "[ . 1 . 2]" 1
860 1 88 PHE HA 1 88 PHE HB3 2.500 . 3.300 2.786 2.545 3.021 . 0 0 "[ . 1 . 2]" 1
861 1 88 PHE HA 1 88 PHE QD 3.800 . 5.600 2.713 2.399 3.149 . 0 0 "[ . 1 . 2]" 1
862 1 88 PHE H 1 88 PHE QD 4.000 . 5.000 3.829 2.870 4.386 . 0 0 "[ . 1 . 2]" 1
863 1 88 PHE HA 1 89 VAL MG1 3.900 . 5.800 4.225 3.786 4.542 . 0 0 "[ . 1 . 2]" 1
864 1 88 PHE HA 1 89 VAL HB 4.600 . 6.000 5.417 4.244 5.690 . 0 0 "[ . 1 . 2]" 1
865 1 88 PHE HA 1 89 VAL MG2 4.700 . 6.000 3.585 3.095 5.395 . 0 0 "[ . 1 . 2]" 1
866 1 88 PHE HA 1 89 VAL H 2.400 . 3.100 2.219 2.176 2.292 . 0 0 "[ . 1 . 2]" 1
867 1 88 PHE HB3 1 89 VAL H 3.200 . 4.500 3.353 2.897 4.097 . 0 0 "[ . 1 . 2]" 1
868 1 88 PHE HB2 1 89 VAL H 3.900 . 5.800 4.320 3.952 4.494 . 0 0 "[ . 1 . 2]" 1
869 1 88 PHE QD 1 89 VAL H 3.900 . 5.800 3.197 2.156 4.374 . 0 0 "[ . 1 . 2]" 1
870 1 88 PHE H 1 89 VAL H 4.000 . 5.000 4.297 4.171 4.461 . 0 0 "[ . 1 . 2]" 1
871 1 88 PHE H 1 89 VAL MG2 4.200 . 6.000 4.637 4.215 5.936 . 0 0 "[ . 1 . 2]" 1
872 1 89 VAL HA 1 89 VAL MG1 2.400 . 6.000 2.273 1.981 3.201 . 0 0 "[ . 1 . 2]" 1
873 1 89 VAL HA 1 89 VAL HB 2.800 . 3.800 2.629 2.509 2.717 . 0 0 "[ . 1 . 2]" 1
874 1 89 VAL HB 1 89 VAL MG1 2.400 . 3.100 2.108 2.091 2.127 . 0 0 "[ . 1 . 2]" 1
875 1 89 VAL H 1 89 VAL MG1 4.000 . 5.000 3.291 2.116 3.650 . 0 0 "[ . 1 . 2]" 1
876 1 89 VAL H 1 89 VAL MG2 4.000 . 5.000 2.416 1.954 3.981 . 0 0 "[ . 1 . 2]" 1
877 1 89 VAL MG1 1 89 VAL MG2 2.100 . 6.000 2.057 1.993 2.082 . 0 0 "[ . 1 . 2]" 1
878 1 89 VAL HB 1 89 VAL MG2 2.300 . 2.900 2.115 2.078 2.126 . 0 0 "[ . 1 . 2]" 1
879 1 89 VAL HA 1 89 VAL MG2 2.500 . 3.300 3.011 2.219 3.184 . 0 0 "[ . 1 . 2]" 1
880 1 89 VAL H 1 89 VAL HB 2.900 . 4.000 3.604 2.936 3.849 . 0 0 "[ . 1 . 2]" 1
881 1 89 VAL HA 1 90 LYS HB3 4.000 . 6.000 4.755 4.589 4.905 . 0 0 "[ . 1 . 2]" 1
882 1 89 VAL HA 1 90 LYS H 2.400 . 3.100 2.143 2.122 2.158 . 0 0 "[ . 1 . 2]" 1
883 1 89 VAL MG1 1 90 LYS H 3.700 . 5.400 3.783 3.605 4.042 . 0 0 "[ . 1 . 2]" 1
884 1 89 VAL MG2 1 90 LYS HA 4.300 . 6.000 4.583 4.234 4.835 . 0 0 "[ . 1 . 2]" 1
885 1 89 VAL MG2 1 90 LYS H 3.600 . 5.200 4.111 2.711 4.407 . 0 0 "[ . 1 . 2]" 1
886 1 89 VAL H 1 90 LYS H 4.000 . 5.000 4.044 3.929 4.245 . 0 0 "[ . 1 . 2]" 1
887 1 89 VAL MG2 1 91 PHE QE 3.000 . 6.000 2.706 1.943 3.263 . 0 0 "[ . 1 . 2]" 1
888 1 89 VAL H 1 116 VAL MG1 4.200 . 6.000 4.690 4.474 4.831 . 0 0 "[ . 1 . 2]" 1
889 1 90 LYS HA 1 90 LYS HG2 3.000 . 4.100 3.473 3.298 3.712 . 0 0 "[ . 1 . 2]" 1
890 1 90 LYS HA 1 90 LYS HG3 2.700 . 3.600 2.321 2.212 2.510 . 0 0 "[ . 1 . 2]" 1
891 1 90 LYS HA 1 90 LYS HB2 2.500 . 3.300 2.533 2.442 2.611 . 0 0 "[ . 1 . 2]" 1
892 1 90 LYS HA 1 90 LYS HB3 3.000 . 4.100 3.016 2.999 3.024 . 0 0 "[ . 1 . 2]" 1
893 1 90 LYS HB3 1 90 LYS HG2 2.600 . 3.400 2.241 2.207 2.359 . 0 0 "[ . 1 . 2]" 1
894 1 90 LYS HB3 1 90 LYS HD2 3.000 . 4.100 3.760 2.528 4.111 0.011 14 0 "[ . 1 . 2]" 1
895 1 90 LYS HB2 1 90 LYS HD2 3.500 . 5.000 3.213 2.471 3.524 . 0 0 "[ . 1 . 2]" 1
896 1 90 LYS HD2 1 90 LYS HG2 2.400 . 3.100 2.628 2.446 2.901 . 0 0 "[ . 1 . 2]" 1
897 1 90 LYS HD2 1 90 LYS HG3 2.500 . 3.300 2.446 2.226 3.010 . 0 0 "[ . 1 . 2]" 1
898 1 90 LYS HE3 1 90 LYS HG2 3.300 . 4.600 2.972 2.210 4.220 . 0 0 "[ . 1 . 2]" 1
899 1 90 LYS HE3 1 90 LYS HG3 3.900 . 5.800 3.611 3.058 4.161 . 0 0 "[ . 1 . 2]" 1
900 1 90 LYS HD2 1 90 LYS HE3 2.400 . 3.100 2.360 2.222 2.710 . 0 0 "[ . 1 . 2]" 1
901 1 90 LYS HB2 1 90 LYS HE3 3.800 . 5.600 3.794 2.744 4.520 . 0 0 "[ . 1 . 2]" 1
902 1 90 LYS HB3 1 90 LYS HE3 3.800 . 5.600 4.049 2.798 4.743 . 0 0 "[ . 1 . 2]" 1
903 1 90 LYS HE2 1 90 LYS HG2 3.200 . 4.500 2.744 2.068 3.609 . 0 0 "[ . 1 . 2]" 1
904 1 90 LYS HE2 1 90 LYS HG3 3.700 . 5.400 3.395 2.335 3.978 . 0 0 "[ . 1 . 2]" 1
905 1 90 LYS HD2 1 90 LYS HE2 2.600 . 3.400 2.894 2.612 3.017 . 0 0 "[ . 1 . 2]" 1
906 1 90 LYS HB2 1 90 LYS HE2 3.000 . 4.200 2.854 2.089 3.887 . 0 0 "[ . 1 . 2]" 1
907 1 90 LYS HB3 1 90 LYS HE2 2.700 . 3.600 3.162 2.616 3.619 0.019 15 0 "[ . 1 . 2]" 1
908 1 90 LYS HB2 1 90 LYS HG3 2.700 . 3.600 2.739 2.535 2.867 . 0 0 "[ . 1 . 2]" 1
909 1 90 LYS H 1 90 LYS HD2 4.700 . 6.000 5.612 4.826 5.997 . 0 0 "[ . 1 . 2]" 1
910 1 90 LYS H 1 90 LYS HB2 3.000 . 4.100 2.618 2.461 2.887 . 0 0 "[ . 1 . 2]" 1
911 1 90 LYS H 1 90 LYS HB3 3.000 . 4.100 2.622 2.466 2.770 . 0 0 "[ . 1 . 2]" 1
912 1 90 LYS HA 1 91 PHE HA 4.600 . 6.000 4.394 4.375 4.405 . 0 0 "[ . 1 . 2]" 1
913 1 90 LYS HA 1 91 PHE H 2.600 . 3.400 2.146 2.131 2.158 . 0 0 "[ . 1 . 2]" 1
914 1 90 LYS HB2 1 91 PHE H 4.100 . 6.000 4.450 4.343 4.532 . 0 0 "[ . 1 . 2]" 1
915 1 90 LYS HG3 1 91 PHE H 3.600 . 5.300 3.115 2.818 3.276 . 0 0 "[ . 1 . 2]" 1
916 1 90 LYS HG2 1 91 PHE HA 3.800 . 5.600 5.232 4.584 5.606 0.006 14 0 "[ . 1 . 2]" 1
917 1 90 LYS HG2 1 91 PHE H 3.500 . 5.100 4.153 3.672 4.373 . 0 0 "[ . 1 . 2]" 1
918 1 90 LYS H 1 91 PHE HA 4.000 . 6.000 5.114 5.003 5.176 . 0 0 "[ . 1 . 2]" 1
919 1 90 LYS H 1 91 PHE QD 4.500 . 6.000 4.397 4.245 4.612 . 0 0 "[ . 1 . 2]" 1
920 1 90 LYS H 1 91 PHE H 4.000 . 5.000 4.346 4.289 4.405 . 0 0 "[ . 1 . 2]" 1
921 1 90 LYS HG3 1 92 GLN HA 2.700 . 6.000 5.837 5.165 6.008 0.008 4 0 "[ . 1 . 2]" 1
922 1 91 PHE HA 1 91 PHE HB3 2.700 . 3.600 2.570 2.551 2.602 . 0 0 "[ . 1 . 2]" 1
923 1 91 PHE H 1 91 PHE QD 4.000 . 5.000 2.635 2.466 2.847 . 0 0 "[ . 1 . 2]" 1
924 1 91 PHE H 1 91 PHE HB3 4.300 . 6.000 3.564 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
925 1 91 PHE HA 1 92 GLN H 2.800 . 3.800 2.327 2.278 2.374 . 0 0 "[ . 1 . 2]" 1
926 1 91 PHE HB3 1 92 GLN H 3.100 . 4.300 2.664 2.547 2.762 . 0 0 "[ . 1 . 2]" 1
927 1 91 PHE HB2 1 92 GLN HA 4.200 . 6.000 5.536 5.498 5.575 . 0 0 "[ . 1 . 2]" 1
928 1 91 PHE HB2 1 92 GLN H 4.500 . 6.000 3.917 3.819 3.981 . 0 0 "[ . 1 . 2]" 1
929 1 91 PHE QD 1 92 GLN H 4.100 . 6.000 4.112 4.008 4.189 . 0 0 "[ . 1 . 2]" 1
930 1 91 PHE H 1 92 GLN HA 3.800 . 5.600 5.666 5.650 5.682 0.082 19 0 "[ . 1 . 2]" 1
931 1 91 PHE H 1 92 GLN H 4.000 . 5.000 4.607 4.598 4.617 . 0 0 "[ . 1 . 2]" 1
932 1 91 PHE HA 1 93 SER H 3.700 . 5.400 4.510 4.065 4.751 . 0 0 "[ . 1 . 2]" 1
933 1 91 PHE HB3 1 93 SER H 2.900 . 3.900 3.028 2.628 3.201 . 0 0 "[ . 1 . 2]" 1
934 1 91 PHE HB2 1 93 SER HA 3.600 . 6.000 5.567 5.287 5.753 . 0 0 "[ . 1 . 2]" 1
935 1 91 PHE HB2 1 93 SER H 3.700 . 5.400 3.917 3.283 4.282 . 0 0 "[ . 1 . 2]" 1
936 1 91 PHE QD 1 93 SER H 4.000 . 5.000 4.901 4.552 5.015 0.015 1 0 "[ . 1 . 2]" 1
937 1 91 PHE HB2 1 94 GLY HA2 4.000 . 6.000 4.499 4.301 4.664 . 0 0 "[ . 1 . 2]" 1
938 1 91 PHE HB3 1 96 SER H 4.100 . 6.000 4.274 4.134 4.443 . 0 0 "[ . 1 . 2]" 1
939 1 91 PHE HB2 1 96 SER HB3 3.900 . 5.800 3.360 2.555 4.333 . 0 0 "[ . 1 . 2]" 1
940 1 91 PHE QD 1 96 SER H 4.000 . 5.000 4.396 4.214 4.619 . 0 0 "[ . 1 . 2]" 1
941 1 91 PHE HB3 1 97 ALA H 3.500 . 5.000 4.290 4.074 4.491 . 0 0 "[ . 1 . 2]" 1
942 1 91 PHE HB2 1 97 ALA MB 3.000 . 4.100 3.669 3.410 3.881 . 0 0 "[ . 1 . 2]" 1
943 1 91 PHE HB2 1 97 ALA H 3.600 . 5.200 3.742 3.555 3.900 . 0 0 "[ . 1 . 2]" 1
944 1 91 PHE QD 1 97 ALA H 4.000 . 5.000 3.562 3.349 3.834 . 0 0 "[ . 1 . 2]" 1
945 1 91 PHE QD 1 97 ALA HA 3.000 . 4.100 3.093 2.943 3.314 . 0 0 "[ . 1 . 2]" 1
946 1 91 PHE QE 1 97 ALA HA 3.600 . 5.200 3.831 3.669 4.048 . 0 0 "[ . 1 . 2]" 1
947 1 91 PHE H 1 97 ALA H 4.700 . 6.000 5.764 5.582 6.002 0.002 16 0 "[ . 1 . 2]" 1
948 1 91 PHE QB 1 98 GLN H 3.600 . 6.000 5.804 5.620 5.972 . 0 0 "[ . 1 . 2]" 1
949 1 91 PHE QE 1 99 GLN H 4.400 . 6.000 5.231 4.980 5.595 . 0 0 "[ . 1 . 2]" 1
950 1 91 PHE QD 1 100 ALA HA 4.000 . 5.000 5.084 5.062 5.114 0.114 18 0 "[ . 1 . 2]" 1
951 1 91 PHE QE 1 100 ALA H 3.900 . 5.800 3.415 3.246 3.720 . 0 0 "[ . 1 . 2]" 1
952 1 91 PHE QE 1 104 LEU MD1 3.800 . 5.600 3.341 2.944 3.736 . 0 0 "[ . 1 . 2]" 1
953 1 91 PHE QE 1 104 LEU HG 2.400 . 6.000 5.567 5.247 5.956 . 0 0 "[ . 1 . 2]" 1
954 1 92 GLN HA 1 92 GLN HB2 2.700 . 3.600 3.001 2.960 3.021 . 0 0 "[ . 1 . 2]" 1
955 1 92 GLN HA 1 92 GLN HB3 2.100 . 2.700 2.564 2.391 2.694 . 0 0 "[ . 1 . 2]" 1
956 1 92 GLN H 1 92 GLN HG2 3.200 . 4.500 3.082 2.302 3.608 . 0 0 "[ . 1 . 2]" 1
957 1 92 GLN H 1 92 GLN HB2 2.900 . 3.900 2.415 2.214 2.753 . 0 0 "[ . 1 . 2]" 1
958 1 92 GLN HA 1 93 SER H 3.400 . 4.800 3.545 3.466 3.579 . 0 0 "[ . 1 . 2]" 1
959 1 92 GLN HB3 1 93 SER HA 4.200 . 6.000 4.622 4.370 4.888 . 0 0 "[ . 1 . 2]" 1
960 1 92 GLN HB3 1 93 SER HB3 4.000 . 6.000 5.417 4.746 5.909 . 0 0 "[ . 1 . 2]" 1
961 1 92 GLN HB3 1 93 SER HB2 3.600 . 5.200 4.162 3.291 4.984 . 0 0 "[ . 1 . 2]" 1
962 1 92 GLN HB2 1 93 SER HB3 4.200 . 6.000 5.372 4.783 5.899 . 0 0 "[ . 1 . 2]" 1
963 1 92 GLN HB2 1 93 SER H 3.100 . 4.300 2.660 2.322 3.188 . 0 0 "[ . 1 . 2]" 1
964 1 92 GLN HG2 1 93 SER H 3.600 . 5.200 4.836 4.499 5.193 . 0 0 "[ . 1 . 2]" 1
965 1 92 GLN H 1 96 SER H 4.600 . 6.000 6.031 6.009 6.056 0.056 3 0 "[ . 1 . 2]" 1
966 1 93 SER HA 1 93 SER HB3 2.500 . 3.300 2.673 2.344 2.967 . 0 0 "[ . 1 . 2]" 1
967 1 93 SER HA 1 93 SER HB2 2.400 . 3.100 2.919 2.697 3.027 . 0 0 "[ . 1 . 2]" 1
968 1 93 SER HB3 1 94 GLY HA2 2.200 . 6.000 4.937 4.785 5.238 . 0 0 "[ . 1 . 2]" 1
969 1 93 SER HB2 1 96 SER HB3 2.800 . 6.000 5.300 4.418 6.002 0.002 5 0 "[ . 1 . 2]" 1
970 1 93 SER HB2 1 96 SER H 3.100 . 6.000 3.734 3.024 4.494 . 0 0 "[ . 1 . 2]" 1
971 1 93 SER H 1 96 SER QB 3.600 . 5.200 2.893 2.498 3.295 . 0 0 "[ . 1 . 2]" 1
972 1 93 SER H 1 97 ALA MB 4.400 . 6.000 5.805 5.328 6.007 0.007 13 0 "[ . 1 . 2]" 1
973 1 93 SER H 1 97 ALA H 4.100 . 6.000 5.081 4.743 5.260 . 0 0 "[ . 1 . 2]" 1
974 1 94 GLY QA 1 97 ALA HA 4.000 . 5.000 4.956 4.735 5.025 0.025 6 0 "[ . 1 . 2]" 1
975 1 94 GLY QA 1 97 ALA MB 2.500 . 3.300 2.617 2.320 2.790 . 0 0 "[ . 1 . 2]" 1
976 1 94 GLY HA2 1 97 ALA H 3.200 . 4.500 3.160 3.002 3.225 . 0 0 "[ . 1 . 2]" 1
977 1 96 SER H 1 96 SER QB 3.000 . 4.100 2.384 2.207 2.678 . 0 0 "[ . 1 . 2]" 1
978 1 96 SER HA 1 97 ALA H 3.300 . 4.700 3.482 3.475 3.492 . 0 0 "[ . 1 . 2]" 1
979 1 96 SER H 1 97 ALA H 4.000 . 5.000 2.381 2.340 2.441 . 0 0 "[ . 1 . 2]" 1
980 1 96 SER H 1 97 ALA MB 4.500 . 6.000 3.993 3.927 4.084 . 0 0 "[ . 1 . 2]" 1
981 1 96 SER H 1 98 GLN H 4.000 . 5.000 4.236 4.114 4.362 . 0 0 "[ . 1 . 2]" 1
982 1 96 SER HA 1 99 GLN H 2.900 . 4.000 3.386 3.313 3.519 . 0 0 "[ . 1 . 2]" 1
983 1 96 SER H 1 99 GLN HB2 4.100 . 6.000 5.684 5.257 6.001 0.001 18 0 "[ . 1 . 2]" 1
984 1 96 SER H 1 99 GLN H 3.700 . 5.400 5.161 5.003 5.257 . 0 0 "[ . 1 . 2]" 1
985 1 97 ALA HA 1 97 ALA MB 2.300 . 2.900 2.101 2.085 2.128 . 0 0 "[ . 1 . 2]" 1
986 1 97 ALA H 1 97 ALA MB 3.200 . 4.000 2.098 2.027 2.223 . 0 0 "[ . 1 . 2]" 1
987 1 97 ALA HA 1 98 GLN H 3.500 . 5.000 3.539 3.505 3.564 . 0 0 "[ . 1 . 2]" 1
988 1 97 ALA MB 1 98 GLN HG2 4.200 . 6.000 3.910 3.390 4.243 . 0 0 "[ . 1 . 2]" 1
989 1 97 ALA MB 1 98 GLN H 2.900 . 3.900 2.606 2.384 2.755 . 0 0 "[ . 1 . 2]" 1
990 1 97 ALA H 1 98 GLN H 4.000 . 5.000 2.736 2.682 2.813 . 0 0 "[ . 1 . 2]" 1
991 1 97 ALA H 1 98 GLN HG2 4.200 . 6.000 5.240 4.082 5.933 . 0 0 "[ . 1 . 2]" 1
992 1 97 ALA HA 1 99 GLN H 4.000 . 6.000 4.220 4.064 4.390 . 0 0 "[ . 1 . 2]" 1
993 1 97 ALA H 1 99 GLN H 4.000 . 5.000 4.209 4.035 4.338 . 0 0 "[ . 1 . 2]" 1
994 1 97 ALA HA 1 100 ALA H 4.000 . 5.000 3.131 3.039 3.207 . 0 0 "[ . 1 . 2]" 1
995 1 97 ALA HA 1 100 ALA MB 2.700 . 3.600 2.276 2.168 2.405 . 0 0 "[ . 1 . 2]" 1
996 1 97 ALA MB 1 100 ALA H 4.000 . 5.000 4.300 4.213 4.366 . 0 0 "[ . 1 . 2]" 1
997 1 97 ALA H 1 100 ALA MB 4.700 . 6.000 4.387 4.259 4.513 . 0 0 "[ . 1 . 2]" 1
998 1 97 ALA MB 1 101 ILE H 4.100 . 6.000 4.116 4.002 4.220 . 0 0 "[ . 1 . 2]" 1
999 1 97 ALA H 1 101 ILE H 4.500 . 6.000 5.945 5.791 6.014 0.014 7 0 "[ . 1 . 2]" 1
1000 1 98 GLN H 1 98 GLN HG2 2.500 . 3.300 2.851 2.058 3.301 0.001 13 0 "[ . 1 . 2]" 1
1001 1 98 GLN H 1 98 GLN HB2 2.700 . 3.600 2.478 2.176 3.593 . 0 0 "[ . 1 . 2]" 1
1002 1 98 GLN HB2 1 99 GLN HA 2.400 . 6.000 4.562 4.225 4.823 . 0 0 "[ . 1 . 2]" 1
1003 1 98 GLN H 1 99 GLN H 3.200 . 4.000 2.739 2.680 2.813 . 0 0 "[ . 1 . 2]" 1
1004 1 98 GLN H 1 99 GLN HG3 4.000 . 6.000 5.380 4.480 5.916 . 0 0 "[ . 1 . 2]" 1
1005 1 98 GLN H 1 99 GLN HA 3.700 . 5.400 5.343 5.295 5.399 . 0 0 "[ . 1 . 2]" 1
1006 1 98 GLN H 1 100 ALA MB 4.400 . 6.000 4.646 4.508 4.768 . 0 0 "[ . 1 . 2]" 1
1007 1 98 GLN HA 1 101 ILE H 4.000 . 5.000 3.799 3.685 3.857 . 0 0 "[ . 1 . 2]" 1
1008 1 98 GLN HA 1 101 ILE HB 4.000 . 5.000 3.275 2.969 3.445 . 0 0 "[ . 1 . 2]" 1
1009 1 98 GLN HA 1 101 ILE MG 4.800 . 6.000 4.633 4.311 4.829 . 0 0 "[ . 1 . 2]" 1
1010 1 98 GLN H 1 101 ILE H 3.800 . 5.600 4.817 4.724 4.881 . 0 0 "[ . 1 . 2]" 1
1011 1 98 GLN HA 1 102 ALA H 3.100 . 4.300 4.138 4.034 4.280 . 0 0 "[ . 1 . 2]" 1
1012 1 99 GLN HA 1 99 GLN HG2 2.600 . 3.500 2.530 2.082 2.943 . 0 0 "[ . 1 . 2]" 1
1013 1 99 GLN HA 1 99 GLN HG3 3.100 . 4.300 3.157 2.235 3.826 . 0 0 "[ . 1 . 2]" 1
1014 1 99 GLN H 1 99 GLN HG3 2.700 . 3.600 3.101 2.443 3.602 0.002 11 0 "[ . 1 . 2]" 1
1015 1 99 GLN HA 1 100 ALA H 3.200 . 4.500 3.488 3.472 3.507 . 0 0 "[ . 1 . 2]" 1
1016 1 99 GLN HB2 1 100 ALA H 2.600 . 3.400 2.965 2.798 3.139 . 0 0 "[ . 1 . 2]" 1
1017 1 99 GLN HG2 1 100 ALA H 3.900 . 5.800 4.919 4.268 5.354 . 0 0 "[ . 1 . 2]" 1
1018 1 99 GLN H 1 100 ALA MB 4.100 . 6.000 4.055 4.021 4.087 . 0 0 "[ . 1 . 2]" 1
1019 1 99 GLN H 1 100 ALA H 3.200 . 4.000 2.443 2.404 2.485 . 0 0 "[ . 1 . 2]" 1
1020 1 99 GLN H 1 101 ILE H 4.000 . 5.000 4.366 4.277 4.458 . 0 0 "[ . 1 . 2]" 1
1021 1 99 GLN HA 1 102 ALA H 4.000 . 5.000 3.493 3.453 3.533 . 0 0 "[ . 1 . 2]" 1
1022 1 99 GLN HA 1 102 ALA MB 2.600 . 3.400 2.242 2.108 2.366 . 0 0 "[ . 1 . 2]" 1
1023 1 99 GLN HB2 1 102 ALA H 2.900 . 6.000 5.507 5.396 5.597 . 0 0 "[ . 1 . 2]" 1
1024 1 99 GLN H 1 102 ALA MB 3.900 . 5.800 4.301 4.185 4.395 . 0 0 "[ . 1 . 2]" 1
1025 1 100 ALA HA 1 100 ALA MB 2.200 . 2.800 2.093 2.089 2.100 . 0 0 "[ . 1 . 2]" 1
1026 1 100 ALA H 1 100 ALA MB 3.200 . 4.000 2.083 2.063 2.121 . 0 0 "[ . 1 . 2]" 1
1027 1 100 ALA HA 1 101 ILE H 4.000 . 6.000 3.556 3.548 3.560 . 0 0 "[ . 1 . 2]" 1
1028 1 100 ALA MB 1 101 ILE H 3.000 . 4.100 2.299 2.239 2.345 . 0 0 "[ . 1 . 2]" 1
1029 1 100 ALA H 1 101 ILE HB 4.200 . 6.000 4.884 4.756 5.002 . 0 0 "[ . 1 . 2]" 1
1030 1 100 ALA H 1 101 ILE H 2.700 . 3.600 2.664 2.648 2.677 . 0 0 "[ . 1 . 2]" 1
1031 1 100 ALA H 1 101 ILE HA 3.600 . 5.200 5.247 5.237 5.253 0.053 6 0 "[ . 1 . 2]" 1
1032 1 100 ALA HA 1 102 ALA H 3.300 . 4.700 4.073 4.017 4.142 . 0 0 "[ . 1 . 2]" 1
1033 1 100 ALA MB 1 102 ALA H 3.700 . 5.400 4.125 4.113 4.140 . 0 0 "[ . 1 . 2]" 1
1034 1 100 ALA H 1 102 ALA H 4.000 . 5.000 3.634 3.595 3.669 . 0 0 "[ . 1 . 2]" 1
1035 1 100 ALA HA 1 103 GLY HA2 4.600 . 6.000 6.032 6.003 6.086 0.086 18 0 "[ . 1 . 2]" 1
1036 1 100 ALA HA 1 104 LEU HA 4.200 . 6.000 5.354 4.977 5.669 . 0 0 "[ . 1 . 2]" 1
1037 1 100 ALA HA 1 104 LEU MD1 3.000 . 4.100 2.570 2.076 3.035 . 0 0 "[ . 1 . 2]" 1
1038 1 100 ALA HA 1 104 LEU HG 3.500 . 5.000 3.577 3.005 4.152 . 0 0 "[ . 1 . 2]" 1
1039 1 100 ALA HA 1 104 LEU H 3.300 . 4.700 4.174 3.916 4.347 . 0 0 "[ . 1 . 2]" 1
1040 1 100 ALA MB 1 104 LEU MD1 2.900 . 6.000 2.390 2.125 2.708 . 0 0 "[ . 1 . 2]" 1
1041 1 100 ALA H 1 104 LEU MD1 5.300 . 6.000 4.832 4.417 5.233 . 0 0 "[ . 1 . 2]" 1
1042 1 100 ALA H 1 104 LEU HB2 4.100 . 6.000 5.260 4.862 5.559 . 0 0 "[ . 1 . 2]" 1
1043 1 100 ALA H 1 104 LEU H 4.300 . 6.000 5.983 5.793 6.046 0.046 13 0 "[ . 1 . 2]" 1
1044 1 101 ILE HA 1 101 ILE MG 2.800 . 3.800 2.335 2.210 2.424 . 0 0 "[ . 1 . 2]" 1
1045 1 101 ILE HA 1 101 ILE MD 2.700 . 6.000 3.353 2.024 3.905 . 0 0 "[ . 1 . 2]" 1
1046 1 101 ILE HA 1 101 ILE HB 3.000 . 4.100 3.017 3.011 3.023 . 0 0 "[ . 1 . 2]" 1
1047 1 101 ILE HB 1 101 ILE MG 2.900 . 4.000 2.109 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
1048 1 101 ILE HB 1 101 ILE MD 2.700 . 3.600 2.468 2.001 3.229 . 0 0 "[ . 1 . 2]" 1
1049 1 101 ILE MD 1 101 ILE MG 2.800 . 3.800 2.369 1.799 2.846 0.001 19 0 "[ . 1 . 2]" 1
1050 1 101 ILE H 1 101 ILE MG 3.700 . 5.400 3.760 3.749 3.769 . 0 0 "[ . 1 . 2]" 1
1051 1 101 ILE H 1 101 ILE MD 3.800 . 5.600 2.943 2.523 3.574 . 0 0 "[ . 1 . 2]" 1
1052 1 101 ILE H 1 101 ILE HB 2.700 . 3.600 2.640 2.557 2.716 . 0 0 "[ . 1 . 2]" 1
1053 1 101 ILE HA 1 102 ALA H 3.300 . 4.700 3.453 3.450 3.458 . 0 0 "[ . 1 . 2]" 1
1054 1 101 ILE HB 1 102 ALA HA 4.000 . 6.000 4.209 4.119 4.300 . 0 0 "[ . 1 . 2]" 1
1055 1 101 ILE HB 1 102 ALA H 2.600 . 3.400 2.956 2.942 2.970 . 0 0 "[ . 1 . 2]" 1
1056 1 101 ILE MD 1 102 ALA H 4.200 . 6.000 4.333 3.851 4.834 . 0 0 "[ . 1 . 2]" 1
1057 1 101 ILE MG 1 102 ALA H 2.900 . 6.000 3.834 3.769 3.913 . 0 0 "[ . 1 . 2]" 1
1058 1 101 ILE H 1 102 ALA MB 4.200 . 6.000 4.265 4.209 4.317 . 0 0 "[ . 1 . 2]" 1
1059 1 101 ILE H 1 102 ALA HA 4.700 . 6.000 5.203 5.150 5.234 . 0 0 "[ . 1 . 2]" 1
1060 1 101 ILE H 1 102 ALA H 4.000 . 5.000 2.605 2.540 2.642 . 0 0 "[ . 1 . 2]" 1
1061 1 101 ILE H 1 103 GLY H 4.000 . 5.000 4.402 4.265 4.578 . 0 0 "[ . 1 . 2]" 1
1062 1 101 ILE HA 1 104 LEU HB2 2.500 . 6.000 3.845 3.363 4.372 . 0 0 "[ . 1 . 2]" 1
1063 1 101 ILE HA 1 104 LEU H 4.000 . 6.000 3.572 3.424 3.746 . 0 0 "[ . 1 . 2]" 1
1064 1 101 ILE MG 1 104 LEU H 4.500 . 6.000 4.754 4.565 5.006 . 0 0 "[ . 1 . 2]" 1
1065 1 101 ILE H 1 104 LEU HB2 3.400 . 5.000 4.505 4.404 4.645 . 0 0 "[ . 1 . 2]" 1
1066 1 101 ILE HA 1 105 ASN HA 4.500 . 6.000 3.926 3.671 4.492 . 0 0 "[ . 1 . 2]" 1
1067 1 101 ILE HA 1 105 ASN H 2.800 . 3.800 2.504 2.308 2.808 . 0 0 "[ . 1 . 2]" 1
1068 1 101 ILE MG 1 105 ASN H 3.600 . 5.300 3.741 3.481 4.127 . 0 0 "[ . 1 . 2]" 1
1069 1 101 ILE HA 1 116 VAL MG1 2.700 . 6.000 4.085 3.674 4.619 . 0 0 "[ . 1 . 2]" 1
1070 1 101 ILE HA 1 116 VAL HB 2.600 . 6.000 3.318 2.886 3.900 . 0 0 "[ . 1 . 2]" 1
1071 1 101 ILE MG 1 116 VAL HB 2.900 . 6.000 3.963 3.378 4.823 . 0 0 "[ . 1 . 2]" 1
1072 1 101 ILE H 1 116 VAL HB 3.300 . 6.000 5.280 4.985 5.660 . 0 0 "[ . 1 . 2]" 1
1073 1 101 ILE HA 1 117 ALA HA 3.400 . 6.000 5.973 5.695 6.025 0.025 5 0 "[ . 1 . 2]" 1
1074 1 101 ILE MD 1 117 ALA HA 2.800 . 6.000 4.421 2.822 5.659 . 0 0 "[ . 1 . 2]" 1
1075 1 101 ILE MG 1 117 ALA HA 2.600 . 6.000 4.238 3.860 4.578 . 0 0 "[ . 1 . 2]" 1
1076 1 101 ILE MG 1 118 LEU MD2 3.200 . 6.000 3.033 2.468 4.019 . 0 0 "[ . 1 . 2]" 1
1077 1 102 ALA HA 1 102 ALA MB 2.100 . 6.000 2.118 2.107 2.125 . 0 0 "[ . 1 . 2]" 1
1078 1 102 ALA H 1 102 ALA MB 3.200 . 4.000 2.204 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
1079 1 102 ALA MB 1 103 GLY HA2 4.400 . 6.000 4.049 3.979 4.203 . 0 0 "[ . 1 . 2]" 1
1080 1 102 ALA H 1 103 GLY HA3 4.300 . 6.000 5.041 4.954 5.124 . 0 0 "[ . 1 . 2]" 1
1081 1 102 ALA H 1 103 GLY H 4.000 . 5.000 2.596 2.536 2.680 . 0 0 "[ . 1 . 2]" 1
1082 1 102 ALA H 1 104 LEU H 4.000 . 5.000 3.870 3.771 4.098 . 0 0 "[ . 1 . 2]" 1
1083 1 102 ALA H 1 104 LEU HB2 3.400 . 4.800 4.863 4.835 4.894 0.094 8 0 "[ . 1 . 2]" 1
1084 1 102 ALA H 1 105 ASN H 4.000 . 5.000 4.438 4.288 4.818 . 0 0 "[ . 1 . 2]" 1
1085 1 103 GLY HA3 1 104 LEU H 3.400 . 4.900 3.455 3.412 3.525 . 0 0 "[ . 1 . 2]" 1
1086 1 103 GLY HA2 1 104 LEU HG 4.200 . 6.000 5.047 4.823 5.504 . 0 0 "[ . 1 . 2]" 1
1087 1 103 GLY HA2 1 104 LEU MD1 4.100 . 6.000 6.023 5.894 6.066 0.066 7 0 "[ . 1 . 2]" 1
1088 1 103 GLY HA2 1 104 LEU MD2 4.500 . 6.000 5.328 4.692 6.005 0.005 20 0 "[ . 1 . 2]" 1
1089 1 103 GLY HA2 1 104 LEU H 2.900 . 3.900 3.096 2.960 3.166 . 0 0 "[ . 1 . 2]" 1
1090 1 103 GLY H 1 104 LEU H 3.200 . 4.000 2.414 2.311 2.530 . 0 0 "[ . 1 . 2]" 1
1091 1 103 GLY HA2 1 105 ASN H 4.200 . 6.000 4.721 4.384 4.842 . 0 0 "[ . 1 . 2]" 1
1092 1 104 LEU HB3 1 104 LEU MD1 2.800 . 3.700 2.450 2.353 2.552 . 0 0 "[ . 1 . 2]" 1
1093 1 104 LEU HB3 1 104 LEU MD2 2.800 . 3.800 2.345 2.141 2.399 . 0 0 "[ . 1 . 2]" 1
1094 1 104 LEU HA 1 104 LEU HB3 2.800 . 3.800 2.658 2.552 2.816 . 0 0 "[ . 1 . 2]" 1
1095 1 104 LEU HB2 1 104 LEU MD1 2.700 . 3.600 2.215 2.080 2.366 . 0 0 "[ . 1 . 2]" 1
1096 1 104 LEU HB2 1 104 LEU MD2 3.400 . 4.800 3.189 3.162 3.197 . 0 0 "[ . 1 . 2]" 1
1097 1 104 LEU H 1 104 LEU MD1 4.000 . 5.000 4.350 4.280 4.432 . 0 0 "[ . 1 . 2]" 1
1098 1 104 LEU MD1 1 104 LEU HG 2.400 . 3.100 2.100 2.085 2.120 . 0 0 "[ . 1 . 2]" 1
1099 1 104 LEU HA 1 104 LEU MD1 4.200 . 6.000 3.765 3.699 3.796 . 0 0 "[ . 1 . 2]" 1
1100 1 104 LEU H 1 104 LEU MD2 4.000 . 5.000 4.210 3.909 4.490 . 0 0 "[ . 1 . 2]" 1
1101 1 104 LEU HA 1 104 LEU MD2 2.300 . 6.000 1.937 1.840 2.367 . 0 0 "[ . 1 . 2]" 1
1102 1 104 LEU H 1 104 LEU HB2 2.700 . 3.600 2.636 2.612 2.676 . 0 0 "[ . 1 . 2]" 1
1103 1 104 LEU H 1 104 LEU HB3 3.500 . 5.100 3.667 3.464 3.781 . 0 0 "[ . 1 . 2]" 1
1104 1 104 LEU HB3 1 105 ASN H 3.900 . 5.800 3.446 3.112 3.658 . 0 0 "[ . 1 . 2]" 1
1105 1 104 LEU H 1 105 ASN H 4.000 . 5.000 1.891 1.787 1.953 0.013 18 0 "[ . 1 . 2]" 1
1106 1 104 LEU H 1 105 ASN QB 4.400 . 6.000 3.699 3.590 4.169 . 0 0 "[ . 1 . 2]" 1
1107 1 104 LEU H 1 105 ASN HA 5.000 . 6.000 4.571 4.511 4.609 . 0 0 "[ . 1 . 2]" 1
1108 1 104 LEU HA 1 107 PHE QB 4.000 . 5.000 2.140 1.966 2.494 . 0 0 "[ . 1 . 2]" 1
1109 1 104 LEU HA 1 107 PHE HA 3.800 . 5.600 4.324 4.271 4.409 . 0 0 "[ . 1 . 2]" 1
1110 1 104 LEU HB3 1 107 PHE HB3 4.800 . 6.000 5.321 5.025 5.865 . 0 0 "[ . 1 . 2]" 1
1111 1 104 LEU MD2 1 107 PHE HA 4.000 . 5.000 5.057 5.030 5.101 0.101 8 0 "[ . 1 . 2]" 1
1112 1 104 LEU MD2 1 107 PHE QB 4.000 . 5.000 2.717 2.534 2.933 . 0 0 "[ . 1 . 2]" 1
1113 1 104 LEU MD2 1 107 PHE QD 4.000 . 5.000 2.995 1.826 3.630 . 0 0 "[ . 1 . 2]" 1
1114 1 104 LEU MD2 1 107 PHE QE 3.900 . 6.000 3.927 2.818 4.672 . 0 0 "[ . 1 . 2]" 1
1115 1 104 LEU H 1 107 PHE H 4.000 . 5.000 5.047 5.023 5.069 0.069 11 0 "[ . 1 . 2]" 1
1116 1 104 LEU H 1 107 PHE HB2 4.200 . 6.000 4.476 4.231 4.849 . 0 0 "[ . 1 . 2]" 1
1117 1 104 LEU HB3 1 114 LEU HB2 3.800 . 5.600 4.418 3.911 5.131 . 0 0 "[ . 1 . 2]" 1
1118 1 104 LEU HG 1 114 LEU HB2 2.200 . 6.000 5.828 5.103 6.012 0.012 4 0 "[ . 1 . 2]" 1
1119 1 104 LEU MD1 1 116 VAL MG2 2.700 . 6.000 3.332 3.062 3.779 . 0 0 "[ . 1 . 2]" 1
1120 1 105 ASN HA 1 105 ASN HB2 2.300 . 2.900 2.495 2.379 2.703 . 0 0 "[ . 1 . 2]" 1
1121 1 105 ASN HA 1 106 GLY H 2.300 . 3.000 2.146 2.122 2.172 . 0 0 "[ . 1 . 2]" 1
1122 1 105 ASN QB 1 106 GLY H 4.000 . 6.000 3.785 3.334 3.838 . 0 0 "[ . 1 . 2]" 1
1123 1 105 ASN H 1 106 GLY HA3 4.200 . 6.000 5.810 5.672 5.928 . 0 0 "[ . 1 . 2]" 1
1124 1 105 ASN H 1 106 GLY H 4.000 . 5.000 4.494 4.475 4.511 . 0 0 "[ . 1 . 2]" 1
1125 1 105 ASN HA 1 107 PHE H 3.200 . 4.500 3.524 3.411 3.597 . 0 0 "[ . 1 . 2]" 1
1126 1 105 ASN H 1 107 PHE HA 3.900 . 5.800 5.750 5.610 5.834 0.034 14 0 "[ . 1 . 2]" 1
1127 1 105 ASN H 1 107 PHE H 3.100 . 6.000 4.316 4.168 4.392 . 0 0 "[ . 1 . 2]" 1
1128 1 105 ASN HA 1 115 LYS HB2 5.400 . 6.000 6.006 5.847 6.050 0.050 12 0 "[ . 1 . 2]" 1
1129 1 105 ASN HA 1 115 LYS HA 4.100 . 6.000 3.445 3.302 3.513 . 0 0 "[ . 1 . 2]" 1
1130 1 105 ASN HB2 1 115 LYS HA 5.200 . 6.000 5.575 4.314 6.000 0.000 11 0 "[ . 1 . 2]" 1
1131 1 105 ASN HA 1 116 VAL H 4.000 . 5.000 2.156 1.991 2.251 . 0 0 "[ . 1 . 2]" 1
1132 1 105 ASN HA 1 116 VAL MG2 2.500 . 6.000 1.965 1.839 2.260 . 0 0 "[ . 1 . 2]" 1
1133 1 105 ASN HA 1 116 VAL HB 2.100 . 2.700 2.649 2.396 2.736 0.036 8 0 "[ . 1 . 2]" 1
1134 1 105 ASN QB 1 116 VAL H 4.000 . 5.000 3.685 2.767 4.033 . 0 0 "[ . 1 . 2]" 1
1135 1 105 ASN H 1 116 VAL HB 3.100 . 4.300 3.773 3.568 3.971 . 0 0 "[ . 1 . 2]" 1
1136 1 105 ASN H 1 116 VAL H 4.000 . 5.000 4.897 4.745 5.014 0.014 18 0 "[ . 1 . 2]" 1
1137 1 106 GLY HA3 1 107 PHE H 3.300 . 4.700 3.441 3.392 3.474 . 0 0 "[ . 1 . 2]" 1
1138 1 106 GLY H 1 107 PHE H 2.800 . 3.800 2.682 2.580 2.792 . 0 0 "[ . 1 . 2]" 1
1139 1 106 GLY HA3 1 113 ARG HA 5.000 . 6.000 6.028 6.004 6.051 0.051 13 0 "[ . 1 . 2]" 1
1140 1 106 GLY HA3 1 113 ARG HD3 3.900 . 5.800 4.961 4.064 5.610 . 0 0 "[ . 1 . 2]" 1
1141 1 106 GLY HA3 1 113 ARG HD2 3.400 . 4.800 3.626 2.729 4.806 0.006 8 0 "[ . 1 . 2]" 1
1142 1 106 GLY H 1 113 ARG QB 4.500 . 6.000 5.995 5.689 6.091 0.091 13 0 "[ . 1 . 2]" 1
1143 1 106 GLY QA 1 114 LEU H 3.800 . 5.600 4.244 3.993 4.374 . 0 0 "[ . 1 . 2]" 1
1144 1 106 GLY H 1 114 LEU HB2 3.900 . 5.800 4.436 4.085 4.856 . 0 0 "[ . 1 . 2]" 1
1145 1 106 GLY H 1 115 LYS HA 4.000 . 5.000 1.959 1.799 2.185 0.001 16 0 "[ . 1 . 2]" 1
1146 1 106 GLY H 1 116 VAL H 4.000 . 5.000 2.350 2.150 2.498 . 0 0 "[ . 1 . 2]" 1
1147 1 106 GLY H 1 116 VAL MG2 3.400 . 4.900 3.005 2.806 3.192 . 0 0 "[ . 1 . 2]" 1
1148 1 106 GLY H 1 116 VAL HB 4.600 . 6.000 4.516 4.288 4.658 . 0 0 "[ . 1 . 2]" 1
1149 1 107 PHE HA 1 107 PHE HB2 2.500 . 3.300 2.677 2.601 2.746 . 0 0 "[ . 1 . 2]" 1
1150 1 107 PHE HA 1 107 PHE HB3 2.700 . 3.600 2.969 2.934 2.995 . 0 0 "[ . 1 . 2]" 1
1151 1 107 PHE HA 1 107 PHE QD 2.600 . 6.000 2.293 1.987 2.924 . 0 0 "[ . 1 . 2]" 1
1152 1 107 PHE HB3 1 107 PHE QD 2.600 . 6.000 2.390 2.263 2.760 . 0 0 "[ . 1 . 2]" 1
1153 1 107 PHE HB2 1 107 PHE QD 3.000 . 4.100 2.574 2.266 2.727 . 0 0 "[ . 1 . 2]" 1
1154 1 107 PHE H 1 107 PHE QD 4.000 . 5.000 3.839 3.556 4.118 . 0 0 "[ . 1 . 2]" 1
1155 1 107 PHE H 1 107 PHE HA 2.900 . 3.900 2.763 2.735 2.792 . 0 0 "[ . 1 . 2]" 1
1156 1 107 PHE H 1 107 PHE HB2 2.500 . 3.300 2.181 2.114 2.253 . 0 0 "[ . 1 . 2]" 1
1157 1 107 PHE H 1 107 PHE HB3 2.800 . 3.800 3.021 2.909 3.179 . 0 0 "[ . 1 . 2]" 1
1158 1 107 PHE HA 1 108 ASN HA 4.300 . 6.000 4.499 4.470 4.555 . 0 0 "[ . 1 . 2]" 1
1159 1 107 PHE HA 1 108 ASN H 2.300 . 6.000 2.281 2.232 2.381 . 0 0 "[ . 1 . 2]" 1
1160 1 107 PHE HB3 1 108 ASN H 3.100 . 4.300 4.295 4.222 4.345 0.045 7 0 "[ . 1 . 2]" 1
1161 1 107 PHE HB2 1 108 ASN HA 5.700 . 6.000 5.924 5.865 5.963 . 0 0 "[ . 1 . 2]" 1
1162 1 107 PHE HB2 1 108 ASN H 3.900 . 5.800 4.646 4.632 4.660 . 0 0 "[ . 1 . 2]" 1
1163 1 107 PHE QD 1 108 ASN H 3.300 . 6.000 3.944 2.915 4.369 . 0 0 "[ . 1 . 2]" 1
1164 1 107 PHE H 1 108 ASN H 4.000 . 5.000 4.069 3.847 4.161 . 0 0 "[ . 1 . 2]" 1
1165 1 107 PHE H 1 108 ASN HB3 3.700 . 6.000 5.989 5.887 6.053 0.053 13 0 "[ . 1 . 2]" 1
1166 1 107 PHE HB2 1 109 ILE H 5.000 . 6.000 5.689 5.504 5.970 . 0 0 "[ . 1 . 2]" 1
1167 1 107 PHE QD 1 109 ILE H 4.000 . 5.000 4.276 2.832 4.978 . 0 0 "[ . 1 . 2]" 1
1168 1 107 PHE QD 1 109 ILE HB 4.000 . 5.000 3.348 2.407 4.060 . 0 0 "[ . 1 . 2]" 1
1169 1 107 PHE QE 1 109 ILE HB 4.000 . 5.000 4.204 2.712 5.003 0.003 14 0 "[ . 1 . 2]" 1
1170 1 107 PHE H 1 113 ARG HG2 3.900 . 5.800 4.842 4.031 5.820 0.020 1 0 "[ . 1 . 2]" 1
1171 1 107 PHE H 1 113 ARG HA 4.000 . 5.000 4.992 4.867 5.048 0.048 3 0 "[ . 1 . 2]" 1
1172 1 107 PHE HB3 1 114 LEU MD2 3.600 . 5.400 3.449 1.989 4.568 0.011 15 0 "[ . 1 . 2]" 1
1173 1 107 PHE HB3 1 114 LEU HG 4.000 . 6.000 3.215 1.992 4.491 0.008 8 0 "[ . 1 . 2]" 1
1174 1 107 PHE HB2 1 114 LEU MD2 3.700 . 5.400 4.226 2.607 5.337 . 0 0 "[ . 1 . 2]" 1
1175 1 107 PHE HB2 1 114 LEU HB2 3.600 . 5.200 2.309 2.127 2.709 . 0 0 "[ . 1 . 2]" 1
1176 1 107 PHE HB2 1 114 LEU HG 4.400 . 6.000 4.414 3.568 5.268 . 0 0 "[ . 1 . 2]" 1
1177 1 107 PHE HB2 1 114 LEU HB3 3.900 . 5.800 3.657 3.172 4.019 . 0 0 "[ . 1 . 2]" 1
1178 1 107 PHE HB2 1 114 LEU H 4.700 . 6.000 3.896 3.704 4.101 . 0 0 "[ . 1 . 2]" 1
1179 1 107 PHE H 1 114 LEU MD1 3.800 . 6.000 4.308 3.968 5.364 . 0 0 "[ . 1 . 2]" 1
1180 1 107 PHE HB2 1 115 LYS HA 3.500 . 6.000 5.950 5.703 6.023 0.023 6 0 "[ . 1 . 2]" 1
1181 1 107 PHE H 1 115 LYS HA 4.500 . 6.000 4.148 4.016 4.264 . 0 0 "[ . 1 . 2]" 1
1182 1 107 PHE H 1 116 VAL H 4.000 . 5.000 4.691 4.486 4.840 . 0 0 "[ . 1 . 2]" 1
1183 1 108 ASN HA 1 108 ASN HB2 2.500 . 3.300 2.463 2.349 2.505 . 0 0 "[ . 1 . 2]" 1
1184 1 108 ASN HA 1 108 ASN HB3 2.600 . 3.500 2.506 2.402 3.006 . 0 0 "[ . 1 . 2]" 1
1185 1 108 ASN H 1 108 ASN QB 3.200 . 4.000 2.520 2.171 2.644 . 0 0 "[ . 1 . 2]" 1
1186 1 108 ASN HA 1 109 ILE MG 4.600 . 6.000 3.899 3.722 4.193 . 0 0 "[ . 1 . 2]" 1
1187 1 108 ASN HA 1 109 ILE HA 4.100 . 6.000 4.476 4.436 4.501 . 0 0 "[ . 1 . 2]" 1
1188 1 108 ASN HA 1 109 ILE H 2.200 . 2.800 2.314 2.218 2.363 . 0 0 "[ . 1 . 2]" 1
1189 1 108 ASN HB3 1 109 ILE H 3.600 . 5.200 4.575 4.514 4.615 . 0 0 "[ . 1 . 2]" 1
1190 1 108 ASN HB2 1 109 ILE H 3.900 . 5.800 4.173 3.957 4.555 . 0 0 "[ . 1 . 2]" 1
1191 1 108 ASN H 1 109 ILE H 4.000 . 5.000 4.062 3.970 4.207 . 0 0 "[ . 1 . 2]" 1
1192 1 108 ASN HA 1 112 LYS H 4.700 . 6.000 5.386 5.117 5.707 . 0 0 "[ . 1 . 2]" 1
1193 1 108 ASN HA 1 113 ARG HA 4.000 . 5.000 2.068 1.807 2.368 . 0 0 "[ . 1 . 2]" 1
1194 1 108 ASN HA 1 113 ARG HB2 3.000 . 4.100 2.778 2.534 3.508 . 0 0 "[ . 1 . 2]" 1
1195 1 108 ASN HA 1 113 ARG HG3 4.200 . 6.000 2.972 2.535 3.661 . 0 0 "[ . 1 . 2]" 1
1196 1 108 ASN HA 1 113 ARG HD2 3.800 . 5.600 3.909 2.772 5.078 . 0 0 "[ . 1 . 2]" 1
1197 1 108 ASN QB 1 113 ARG QB 4.100 . 6.000 3.308 3.017 4.131 . 0 0 "[ . 1 . 2]" 1
1198 1 108 ASN HB3 1 113 ARG HD2 4.200 . 6.000 3.259 1.999 5.035 0.001 10 0 "[ . 1 . 2]" 1
1199 1 108 ASN H 1 113 ARG HB2 4.500 . 6.000 5.073 4.825 5.910 . 0 0 "[ . 1 . 2]" 1
1200 1 108 ASN H 1 113 ARG HD2 4.200 . 6.000 4.267 2.952 5.514 . 0 0 "[ . 1 . 2]" 1
1201 1 108 ASN H 1 113 ARG HA 4.000 . 5.000 4.227 3.965 4.484 . 0 0 "[ . 1 . 2]" 1
1202 1 108 ASN HA 1 114 LEU H 4.000 . 5.000 3.579 3.341 3.801 . 0 0 "[ . 1 . 2]" 1
1203 1 108 ASN H 1 114 LEU HB2 4.200 . 6.000 5.475 5.311 5.731 . 0 0 "[ . 1 . 2]" 1
1204 1 109 ILE HA 1 109 ILE HB 2.300 . 3.000 2.443 2.339 2.560 . 0 0 "[ . 1 . 2]" 1
1205 1 109 ILE HB 1 109 ILE MG 2.100 . 2.700 2.104 2.086 2.121 . 0 0 "[ . 1 . 2]" 1
1206 1 109 ILE H 1 109 ILE MG 4.000 . 5.000 2.056 1.817 2.338 . 0 0 "[ . 1 . 2]" 1
1207 1 109 ILE H 1 109 ILE HG12 4.400 . 6.000 4.460 4.290 4.613 . 0 0 "[ . 1 . 2]" 1
1208 1 109 ILE H 1 109 ILE HB 3.100 . 4.300 2.756 2.542 2.971 . 0 0 "[ . 1 . 2]" 1
1209 1 109 ILE HA 1 110 LEU MD2 4.500 . 6.000 5.460 4.297 6.011 0.011 2 0 "[ . 1 . 2]" 1
1210 1 109 ILE HA 1 110 LEU H 2.400 . 3.100 2.397 2.381 2.416 . 0 0 "[ . 1 . 2]" 1
1211 1 109 ILE HG12 1 110 LEU HB3 3.300 . 4.600 3.642 3.455 4.061 . 0 0 "[ . 1 . 2]" 1
1212 1 109 ILE HG12 1 110 LEU HB2 2.500 . 3.300 3.289 3.175 3.326 0.026 10 0 "[ . 1 . 2]" 1
1213 1 109 ILE HG12 1 110 LEU H 3.100 . 4.300 2.061 1.980 2.257 . 0 0 "[ . 1 . 2]" 1
1214 1 109 ILE MG 1 110 LEU HB3 3.600 . 6.000 4.835 4.450 5.461 . 0 0 "[ . 1 . 2]" 1
1215 1 109 ILE MG 1 110 LEU HB2 3.900 . 5.800 4.835 4.315 5.075 . 0 0 "[ . 1 . 2]" 1
1216 1 109 ILE MG 1 110 LEU H 3.500 . 5.000 3.480 3.104 3.770 . 0 0 "[ . 1 . 2]" 1
1217 1 109 ILE H 1 110 LEU H 4.500 . 6.000 4.595 4.576 4.609 . 0 0 "[ . 1 . 2]" 1
1218 1 109 ILE HA 1 111 ASN H 3.400 . 6.000 4.301 4.147 4.531 . 0 0 "[ . 1 . 2]" 1
1219 1 109 ILE MG 1 111 ASN H 4.200 . 6.000 2.328 1.980 2.950 0.020 4 0 "[ . 1 . 2]" 1
1220 1 109 ILE MG 1 112 LYS H 2.700 . 6.000 1.619 1.438 1.744 . 0 0 "[ . 1 . 2]" 1
1221 1 109 ILE H 1 112 LYS H 4.000 . 5.000 3.837 3.651 4.116 . 0 0 "[ . 1 . 2]" 1
1222 1 109 ILE H 1 112 LYS HB2 4.200 . 6.000 5.236 4.191 6.005 0.005 11 0 "[ . 1 . 2]" 1
1223 1 109 ILE H 1 112 LYS HB3 4.100 . 6.000 5.605 5.013 6.060 0.060 7 0 "[ . 1 . 2]" 1
1224 1 109 ILE H 1 113 ARG HB2 4.000 . 6.000 4.375 4.080 4.729 . 0 0 "[ . 1 . 2]" 1
1225 1 109 ILE H 1 113 ARG HA 4.000 . 5.000 2.582 2.413 2.857 . 0 0 "[ . 1 . 2]" 1
1226 1 109 ILE HB 1 114 LEU H 4.400 . 6.000 4.879 4.353 5.267 . 0 0 "[ . 1 . 2]" 1
1227 1 109 ILE H 1 114 LEU HG 4.200 . 6.000 4.847 3.438 6.021 0.021 1 0 "[ . 1 . 2]" 1
1228 1 109 ILE H 1 114 LEU HA 4.600 . 6.000 5.994 5.676 6.054 0.054 13 0 "[ . 1 . 2]" 1
1229 1 109 ILE H 1 114 LEU H 3.100 . 4.300 3.417 3.137 3.524 . 0 0 "[ . 1 . 2]" 1
1230 1 110 LEU HB3 1 110 LEU MD1 2.700 . 3.600 2.496 2.204 3.193 . 0 0 "[ . 1 . 2]" 1
1231 1 110 LEU HB2 1 110 LEU MD1 2.700 . 3.600 2.615 2.182 3.197 . 0 0 "[ . 1 . 2]" 1
1232 1 110 LEU HA 1 110 LEU HB2 3.000 . 4.100 2.730 2.668 2.831 . 0 0 "[ . 1 . 2]" 1
1233 1 110 LEU H 1 110 LEU MD1 4.000 . 5.000 3.915 2.673 4.293 . 0 0 "[ . 1 . 2]" 1
1234 1 110 LEU H 1 110 LEU MD2 4.000 . 5.000 3.833 2.904 4.305 . 0 0 "[ . 1 . 2]" 1
1235 1 110 LEU HA 1 111 ASN H 3.400 . 4.900 3.495 3.460 3.555 . 0 0 "[ . 1 . 2]" 1
1236 1 110 LEU HB3 1 111 ASN H 2.400 . 3.100 3.078 2.834 3.159 0.059 5 0 "[ . 1 . 2]" 1
1237 1 110 LEU HB2 1 111 ASN H 3.400 . 4.800 3.639 3.309 3.846 . 0 0 "[ . 1 . 2]" 1
1238 1 110 LEU MD2 1 111 ASN H 3.700 . 5.400 4.477 4.057 4.978 . 0 0 "[ . 1 . 2]" 1
1239 1 110 LEU H 1 111 ASN H 3.900 . 5.800 2.943 2.895 3.025 . 0 0 "[ . 1 . 2]" 1
1240 1 110 LEU HA 1 112 LYS H 4.000 . 5.000 5.044 4.623 5.147 0.147 4 0 "[ . 1 . 2]" 1
1241 1 111 ASN HA 1 111 ASN HB2 2.400 . 3.100 2.864 2.492 3.020 . 0 0 "[ . 1 . 2]" 1
1242 1 111 ASN HA 1 111 ASN HB3 2.500 . 3.300 2.704 2.394 3.019 . 0 0 "[ . 1 . 2]" 1
1243 1 111 ASN H 1 111 ASN HB3 3.200 . 4.500 3.352 2.634 3.689 . 0 0 "[ . 1 . 2]" 1
1244 1 111 ASN HA 1 112 LYS H 3.000 . 4.100 3.534 3.364 3.569 . 0 0 "[ . 1 . 2]" 1
1245 1 111 ASN HB3 1 112 LYS HA 4.000 . 6.000 4.645 4.367 5.893 . 0 0 "[ . 1 . 2]" 1
1246 1 111 ASN HB3 1 112 LYS H 3.900 . 5.800 3.132 2.255 4.090 . 0 0 "[ . 1 . 2]" 1
1247 1 111 ASN HB2 1 112 LYS HA 2.600 . 6.000 5.220 4.625 5.819 . 0 0 "[ . 1 . 2]" 1
1248 1 111 ASN HB2 1 112 LYS H 3.800 . 5.600 3.020 2.400 3.763 . 0 0 "[ . 1 . 2]" 1
1249 1 111 ASN H 1 112 LYS HB2 4.200 . 6.000 5.347 4.482 6.045 0.045 5 0 "[ . 1 . 2]" 1
1250 1 112 LYS HA 1 112 LYS HG2 3.200 . 4.500 3.349 2.150 4.179 . 0 0 "[ . 1 . 2]" 1
1251 1 112 LYS HA 1 112 LYS HD2 2.700 . 3.600 3.278 2.002 3.789 0.189 10 0 "[ . 1 . 2]" 1
1252 1 112 LYS HA 1 112 LYS HB3 2.500 . 3.300 2.521 2.207 2.947 . 0 0 "[ . 1 . 2]" 1
1253 1 112 LYS HA 1 112 LYS HB2 3.000 . 4.100 2.808 2.478 3.019 . 0 0 "[ . 1 . 2]" 1
1254 1 112 LYS HA 1 113 ARG HA 3.500 . 5.100 4.480 4.454 4.507 . 0 0 "[ . 1 . 2]" 1
1255 1 112 LYS HA 1 113 ARG HB3 3.300 . 4.600 4.628 4.608 4.653 0.053 1 0 "[ . 1 . 2]" 1
1256 1 112 LYS HA 1 113 ARG H 2.400 . 3.100 2.661 2.392 2.755 . 0 0 "[ . 1 . 2]" 1
1257 1 112 LYS HB3 1 113 ARG H 3.100 . 4.300 2.467 1.882 3.465 0.018 20 0 "[ . 1 . 2]" 1
1258 1 112 LYS HB2 1 113 ARG H 3.700 . 5.400 2.820 1.935 3.599 0.065 2 0 "[ . 1 . 2]" 1
1259 1 112 LYS HD2 1 113 ARG H 3.500 . 5.000 4.064 1.999 5.048 0.048 13 0 "[ . 1 . 2]" 1
1260 1 112 LYS HG2 1 113 ARG H 3.400 . 4.900 3.918 2.455 4.800 . 0 0 "[ . 1 . 2]" 1
1261 1 112 LYS H 1 113 ARG H 4.000 . 5.000 4.368 4.327 4.442 . 0 0 "[ . 1 . 2]" 1
1262 1 112 LYS H 1 113 ARG HB2 3.000 . 6.000 5.856 5.640 6.011 0.011 8 0 "[ . 1 . 2]" 1
1263 1 113 ARG HA 1 113 ARG HB2 2.300 . 2.900 2.427 2.389 2.505 . 0 0 "[ . 1 . 2]" 1
1264 1 113 ARG HA 1 113 ARG HB3 2.700 . 3.600 3.022 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
1265 1 113 ARG HA 1 113 ARG HD2 3.600 . 5.200 4.313 3.174 4.924 . 0 0 "[ . 1 . 2]" 1
1266 1 113 ARG HB2 1 113 ARG HD3 2.700 . 3.600 2.343 1.988 3.119 . 0 0 "[ . 1 . 2]" 1
1267 1 113 ARG HD3 1 113 ARG HG2 2.600 . 3.500 2.859 2.468 3.017 . 0 0 "[ . 1 . 2]" 1
1268 1 113 ARG HD3 1 113 ARG HG3 2.900 . 4.000 2.719 2.378 3.017 . 0 0 "[ . 1 . 2]" 1
1269 1 113 ARG HD2 1 113 ARG HG2 2.700 . 3.600 2.719 2.381 3.015 . 0 0 "[ . 1 . 2]" 1
1270 1 113 ARG HD2 1 113 ARG HG3 2.500 . 3.300 2.321 2.221 2.504 . 0 0 "[ . 1 . 2]" 1
1271 1 113 ARG H 1 113 ARG HG2 4.200 . 6.000 4.464 4.280 4.775 . 0 0 "[ . 1 . 2]" 1
1272 1 113 ARG HA 1 114 LEU HG 4.500 . 6.000 4.561 3.642 6.019 0.019 14 0 "[ . 1 . 2]" 1
1273 1 113 ARG HA 1 114 LEU H 2.300 . 3.000 2.148 2.134 2.158 . 0 0 "[ . 1 . 2]" 1
1274 1 113 ARG HB3 1 114 LEU H 4.000 . 6.000 4.371 4.276 4.425 . 0 0 "[ . 1 . 2]" 1
1275 1 113 ARG H 1 114 LEU H 4.000 . 5.000 4.159 4.111 4.237 . 0 0 "[ . 1 . 2]" 1
1276 1 114 LEU HB3 1 114 LEU MD1 2.600 . 3.400 2.702 2.186 3.199 . 0 0 "[ . 1 . 2]" 1
1277 1 114 LEU HB3 1 114 LEU HG 2.700 . 3.600 2.801 2.401 3.019 . 0 0 "[ . 1 . 2]" 1
1278 1 114 LEU HA 1 114 LEU HB3 2.700 . 3.600 2.487 2.354 2.642 . 0 0 "[ . 1 . 2]" 1
1279 1 114 LEU HB2 1 114 LEU MD2 2.600 . 3.400 2.882 2.270 3.197 . 0 0 "[ . 1 . 2]" 1
1280 1 114 LEU HB2 1 114 LEU HG 2.800 . 3.800 2.680 2.397 3.018 . 0 0 "[ . 1 . 2]" 1
1281 1 114 LEU HA 1 114 LEU HB2 2.800 . 3.700 3.006 2.982 3.018 . 0 0 "[ . 1 . 2]" 1
1282 1 114 LEU H 1 114 LEU MD1 4.000 . 5.000 2.997 1.894 3.962 . 0 0 "[ . 1 . 2]" 1
1283 1 114 LEU HA 1 115 LYS HB3 4.200 . 6.000 4.896 4.779 5.071 . 0 0 "[ . 1 . 2]" 1
1284 1 114 LEU HA 1 115 LYS H 2.500 . 3.300 2.237 2.155 2.342 . 0 0 "[ . 1 . 2]" 1
1285 1 114 LEU HB2 1 115 LYS H 4.100 . 6.000 4.456 4.244 4.588 . 0 0 "[ . 1 . 2]" 1
1286 1 114 LEU H 1 115 LYS H 4.000 . 5.000 4.196 4.037 4.442 . 0 0 "[ . 1 . 2]" 1
1287 1 115 LYS HA 1 115 LYS HB2 2.500 . 3.300 2.570 2.514 2.656 . 0 0 "[ . 1 . 2]" 1
1288 1 115 LYS HA 1 115 LYS HB3 2.700 . 3.600 3.009 2.980 3.023 . 0 0 "[ . 1 . 2]" 1
1289 1 115 LYS HA 1 115 LYS HG3 2.700 . 3.600 2.652 2.429 2.942 . 0 0 "[ . 1 . 2]" 1
1290 1 115 LYS HB3 1 115 LYS HG2 2.600 . 3.400 2.553 2.433 2.713 . 0 0 "[ . 1 . 2]" 1
1291 1 115 LYS HB3 1 115 LYS HG3 2.900 . 3.900 2.990 2.928 3.012 . 0 0 "[ . 1 . 2]" 1
1292 1 115 LYS H 1 115 LYS QG 4.000 . 5.000 3.991 3.905 4.056 . 0 0 "[ . 1 . 2]" 1
1293 1 115 LYS HB2 1 115 LYS HG3 2.300 . 2.900 2.350 2.245 2.452 . 0 0 "[ . 1 . 2]" 1
1294 1 115 LYS H 1 115 LYS HB3 3.100 . 4.300 2.693 2.598 2.848 . 0 0 "[ . 1 . 2]" 1
1295 1 115 LYS HA 1 116 VAL MG2 4.000 . 6.000 3.368 3.287 3.454 . 0 0 "[ . 1 . 2]" 1
1296 1 115 LYS HA 1 116 VAL HA 4.000 . 6.000 4.386 4.381 4.394 . 0 0 "[ . 1 . 2]" 1
1297 1 115 LYS HA 1 116 VAL H 2.400 . 3.100 2.147 2.125 2.162 . 0 0 "[ . 1 . 2]" 1
1298 1 115 LYS HB2 1 116 VAL H 3.600 . 5.200 4.431 4.376 4.489 . 0 0 "[ . 1 . 2]" 1
1299 1 115 LYS HG3 1 116 VAL H 3.000 . 4.200 3.869 3.501 4.207 0.007 19 0 "[ . 1 . 2]" 1
1300 1 115 LYS HG2 1 116 VAL H 3.000 . 4.100 3.052 2.838 3.291 . 0 0 "[ . 1 . 2]" 1
1301 1 115 LYS H 1 116 VAL H 4.000 . 5.000 4.437 4.378 4.459 . 0 0 "[ . 1 . 2]" 1
1302 1 115 LYS H 1 116 VAL HA 4.400 . 6.000 5.255 5.169 5.337 . 0 0 "[ . 1 . 2]" 1
1303 1 115 LYS HA 1 117 ALA H 3.300 . 6.000 5.883 5.847 6.008 0.008 6 0 "[ . 1 . 2]" 1
1304 1 116 VAL HA 1 116 VAL MG1 2.100 . 3.100 2.209 2.058 2.286 . 0 0 "[ . 1 . 2]" 1
1305 1 116 VAL HA 1 116 VAL HB 2.800 . 3.700 2.984 2.971 3.000 . 0 0 "[ . 1 . 2]" 1
1306 1 116 VAL H 1 116 VAL MG1 4.000 . 5.000 3.943 3.923 3.956 . 0 0 "[ . 1 . 2]" 1
1307 1 116 VAL HB 1 116 VAL MG1 2.200 . 2.800 2.121 2.106 2.127 . 0 0 "[ . 1 . 2]" 1
1308 1 116 VAL H 1 116 VAL MG2 4.000 . 5.000 2.395 2.270 2.592 . 0 0 "[ . 1 . 2]" 1
1309 1 116 VAL H 1 116 VAL HB 2.900 . 4.000 2.983 2.891 3.046 . 0 0 "[ . 1 . 2]" 1
1310 1 116 VAL HA 1 117 ALA MB 3.800 . 5.600 3.942 3.888 4.005 . 0 0 "[ . 1 . 2]" 1
1311 1 116 VAL HB 1 117 ALA HA 2.900 . 6.000 4.402 4.338 4.494 . 0 0 "[ . 1 . 2]" 1
1312 1 116 VAL HB 1 117 ALA H 3.400 . 4.900 3.961 3.898 4.035 . 0 0 "[ . 1 . 2]" 1
1313 1 116 VAL MG1 1 117 ALA H 2.600 . 6.000 2.715 2.490 2.850 . 0 0 "[ . 1 . 2]" 1
1314 1 116 VAL H 1 117 ALA H 4.000 . 5.000 4.281 4.252 4.338 . 0 0 "[ . 1 . 2]" 1
1315 1 117 ALA HA 1 117 ALA MB 2.300 . 2.800 2.106 2.096 2.129 . 0 0 "[ . 1 . 2]" 1
1316 1 117 ALA H 1 117 ALA MB 3.200 . 4.000 2.547 2.447 2.602 . 0 0 "[ . 1 . 2]" 1
1317 1 117 ALA HA 1 118 LEU MD2 3.000 . 4.100 3.323 2.997 4.117 0.017 9 0 "[ . 1 . 2]" 1
1318 1 117 ALA HA 1 118 LEU HB2 4.900 . 6.000 4.563 4.162 4.865 . 0 0 "[ . 1 . 2]" 1
1319 1 117 ALA MB 1 118 LEU MD2 3.500 . 6.000 4.188 3.912 4.831 . 0 0 "[ . 1 . 2]" 1
1320 1 117 ALA H 1 118 LEU MD2 3.400 . 6.000 5.132 4.886 5.417 . 0 0 "[ . 1 . 2]" 1
1321 1 117 ALA H 1 118 LEU H 4.000 . 5.000 4.358 4.308 4.429 . 0 0 "[ . 1 . 2]" 1
1322 1 118 LEU H 1 118 LEU MD1 4.000 . 5.000 3.039 2.090 4.247 . 0 0 "[ . 1 . 2]" 1
1323 1 118 LEU HB2 1 118 LEU MD1 2.900 . 4.000 3.168 3.119 3.194 . 0 0 "[ . 1 . 2]" 1
1324 1 118 LEU HA 1 118 LEU MD1 3.100 . 4.300 2.002 1.897 2.431 0.003 18 0 "[ . 1 . 2]" 1
1325 1 118 LEU H 1 118 LEU MD2 4.000 . 5.000 2.125 1.890 2.835 . 0 0 "[ . 1 . 2]" 1
1326 1 118 LEU HA 1 118 LEU MD2 3.600 . 5.200 3.147 2.109 3.644 . 0 0 "[ . 1 . 2]" 1
1327 1 118 LEU H 1 118 LEU HB2 2.400 . 3.100 2.398 2.049 2.717 . 0 0 "[ . 1 . 2]" 1
1328 1 118 LEU H 1 118 LEU HB3 3.000 . 4.200 3.537 3.227 3.599 . 0 0 "[ . 1 . 2]" 1
1329 1 118 LEU HA 1 119 ALA H 2.700 . 3.600 2.183 2.132 2.304 . 0 0 "[ . 1 . 2]" 1
1330 1 118 LEU HB2 1 119 ALA H 3.700 . 5.400 4.190 3.801 4.554 . 0 0 "[ . 1 . 2]" 1
1331 1 118 LEU MD1 1 119 ALA H 3.200 . 4.500 3.291 2.072 3.833 . 0 0 "[ . 1 . 2]" 1
1332 1 118 LEU QB 1 120 ALA H 3.200 . 4.500 3.374 2.516 4.510 0.010 19 0 "[ . 1 . 2]" 1
1333 1 118 LEU MD1 1 120 ALA H 2.900 . 6.000 4.596 2.218 5.537 . 0 0 "[ . 1 . 2]" 1
1334 1 119 ALA HA 1 119 ALA MB 2.200 . 2.800 2.106 2.086 2.129 . 0 0 "[ . 1 . 2]" 1
1335 1 119 ALA HA 1 120 ALA H 3.100 . 4.300 3.331 2.226 3.565 . 0 0 "[ . 1 . 2]" 1
1336 1 119 ALA H 1 120 ALA H 4.000 . 5.000 2.975 2.374 4.137 . 0 0 "[ . 1 . 2]" 1
1337 1 120 ALA H 1 120 ALA MB 3.200 . 4.000 2.564 2.090 2.943 . 0 0 "[ . 1 . 2]" 1
1338 1 120 ALA HA 1 121 SER HB2 2.800 . 6.000 4.818 4.062 5.774 . 0 0 "[ . 1 . 2]" 1
1339 1 120 ALA MB 1 121 SER HA 3.800 . 5.600 4.182 3.687 5.024 . 0 0 "[ . 1 . 2]" 1
1340 1 121 SER HA 1 121 SER HB2 2.400 . 3.100 2.743 2.360 3.022 . 0 0 "[ . 1 . 2]" 1
1341 1 126 PRO HD3 1 126 PRO HG2 2.600 . 3.400 2.911 2.686 2.990 . 0 0 "[ . 1 . 2]" 1
1342 1 126 PRO HA 1 126 PRO HG2 3.700 . 5.500 3.875 3.849 3.967 . 0 0 "[ . 1 . 2]" 1
1343 1 126 PRO HG2 1 128 ILE HA 3.400 . 6.000 5.349 4.270 6.006 0.006 8 0 "[ . 1 . 2]" 1
1344 1 127 GLY HA3 1 128 ILE H 3.200 . 4.500 3.179 2.243 3.568 . 0 0 "[ . 1 . 2]" 1
1345 1 128 ILE H 1 128 ILE HB 4.000 . 5.000 3.455 2.501 4.012 . 0 0 "[ . 1 . 2]" 1
1346 1 128 ILE HA 1 128 ILE HB 3.000 . 4.100 2.828 2.448 3.019 . 0 0 "[ . 1 . 2]" 1
1347 1 128 ILE H 1 128 ILE QG 4.000 . 5.000 2.925 2.234 4.173 . 0 0 "[ . 1 . 2]" 1
1348 1 128 ILE MD 1 128 ILE HG13 3.300 . 4.700 2.097 2.074 2.119 . 0 0 "[ . 1 . 2]" 1
1349 1 128 ILE HB 1 128 ILE HG12 2.700 . 3.600 2.811 2.432 3.028 . 0 0 "[ . 1 . 2]" 1
1350 1 128 ILE H 1 128 ILE MG 4.000 . 5.000 3.499 1.965 4.017 . 0 0 "[ . 1 . 2]" 1
1351 1 128 ILE HA 1 129 ALA H 3.500 . 5.000 2.618 2.141 3.573 . 0 0 "[ . 1 . 2]" 1
1352 1 128 ILE HB 1 129 ALA H 4.200 . 6.000 3.743 1.996 4.620 0.004 14 0 "[ . 1 . 2]" 1
1353 1 131 ALA HA 1 132 VAL H 2.600 . 3.400 2.489 2.144 3.418 0.018 15 0 "[ . 1 . 2]" 1
1354 1 131 ALA MB 1 132 VAL H 3.600 . 5.200 3.029 1.998 3.721 0.002 7 0 "[ . 1 . 2]" 1
1355 1 132 VAL H 1 132 VAL HB 4.000 . 5.000 3.434 2.532 3.849 . 0 0 "[ . 1 . 2]" 1
1356 1 132 VAL H 1 132 VAL MG1 4.000 . 5.000 3.208 2.072 4.019 . 0 0 "[ . 1 . 2]" 1
1357 1 132 VAL H 1 132 VAL MG2 4.000 . 5.000 2.524 1.956 3.993 . 0 0 "[ . 1 . 2]" 1
1358 1 132 VAL HB 1 134 ASP H 2.700 . 6.000 4.547 2.694 6.000 . 0 0 "[ . 1 . 2]" 1
1359 1 133 GLY HA3 1 134 ASP H 3.700 . 5.400 2.974 2.152 3.568 . 0 0 "[ . 1 . 2]" 1
1360 1 134 ASP H 1 134 ASP HB2 3.600 . 5.200 2.955 2.070 3.940 . 0 0 "[ . 1 . 2]" 1
1361 1 137 GLY HA3 1 138 TYR H 2.800 . 3.800 2.802 2.137 3.554 . 0 0 "[ . 1 . 2]" 1
1362 1 137 GLY HA3 1 139 LEU H 4.000 . 6.000 4.770 3.353 6.014 0.014 14 0 "[ . 1 . 2]" 1
1363 1 138 TYR H 1 138 TYR QD 4.000 . 5.000 3.651 2.086 4.369 . 0 0 "[ . 1 . 2]" 1
1364 1 138 TYR HB3 1 139 LEU H 2.800 . 3.800 2.643 1.990 3.638 . 0 0 "[ . 1 . 2]" 1
1365 1 138 TYR HB2 1 139 LEU H 2.900 . 3.900 3.244 1.970 3.918 0.018 14 0 "[ . 1 . 2]" 1
1366 1 138 TYR QD 1 139 LEU H 3.800 . 5.600 4.020 3.213 4.580 . 0 0 "[ . 1 . 2]" 1
1367 1 138 TYR H 1 139 LEU HG 4.300 . 6.000 4.716 2.494 6.004 0.004 16 0 "[ . 1 . 2]" 1
1368 1 138 TYR H 1 139 LEU H 3.300 . 4.600 3.069 2.082 4.578 . 0 0 "[ . 1 . 2]" 1
1369 1 139 LEU H 1 139 LEU QB 3.200 . 4.000 2.838 2.247 3.414 . 0 0 "[ . 1 . 2]" 1
1370 1 139 LEU H 1 139 LEU MD1 4.000 . 5.000 3.639 1.967 4.308 . 0 0 "[ . 1 . 2]" 1
1371 1 139 LEU H 1 139 LEU MD2 4.000 . 5.000 3.499 2.475 4.142 . 0 0 "[ . 1 . 2]" 1
1372 1 139 LEU H 1 139 LEU HG 2.600 . 3.000 2.563 1.997 2.972 . 0 0 "[ . 1 . 2]" 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 54
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 103.816
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0135
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_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 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.124 0.029 10 0 "[ . 1 . 2]"
1 46 MET 0.026 0.026 8 0 "[ . 1 . 2]"
1 47 VAL 0.021 0.021 14 0 "[ . 1 . 2]"
1 48 ASN 0.533 0.087 1 0 "[ . 1 . 2]"
1 55 ASP 0.540 0.051 20 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.076 0.019 10 0 "[ . 1 . 2]"
1 59 LEU 0.578 0.051 20 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.697 0.108 2 0 "[ . 1 . 2]"
1 62 LEU 0.076 0.019 10 0 "[ . 1 . 2]"
1 63 PHE 0.038 0.011 10 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.697 0.108 2 0 "[ . 1 . 2]"
1 71 SER 0.552 0.046 18 0 "[ . 1 . 2]"
1 73 LYS 1.103 0.091 10 0 "[ . 1 . 2]"
1 75 VAL 1.339 0.057 18 0 "[ . 1 . 2]"
1 86 TYR 1.339 0.057 18 0 "[ . 1 . 2]"
1 87 GLY 0.021 0.021 14 0 "[ . 1 . 2]"
1 88 PHE 1.103 0.091 10 0 "[ . 1 . 2]"
1 89 VAL 0.124 0.029 10 0 "[ . 1 . 2]"
1 90 LYS 0.552 0.046 18 0 "[ . 1 . 2]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.136 0.013 10 0 "[ . 1 . 2]"
1 99 GLN 0.006 0.006 19 0 "[ . 1 . 2]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ALA 0.136 0.013 10 0 "[ . 1 . 2]"
1 103 GLY 0.006 0.006 19 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LYS 0.533 0.087 1 0 "[ . 1 . 2]"
1 117 ALA 0.026 0.026 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 46 MET H 1 117 ALA O 2.000 . 2.300 1.695 1.608 1.886 . 0 0 "[ . 1 . 2]" 2
2 1 46 MET N 1 117 ALA O 3.000 2.500 3.300 2.569 2.474 2.788 0.026 8 0 "[ . 1 . 2]" 2
3 1 46 MET O 1 117 ALA H 2.000 . 2.300 1.763 1.644 1.935 . 0 0 "[ . 1 . 2]" 2
4 1 46 MET O 1 117 ALA N 3.000 2.500 3.300 2.702 2.585 2.878 . 0 0 "[ . 1 . 2]" 2
5 1 48 ASN H 1 115 LYS O 2.000 . 2.300 1.805 1.664 1.983 . 0 0 "[ . 1 . 2]" 2
6 1 48 ASN N 1 115 LYS O 3.000 2.500 3.300 2.724 2.585 2.896 . 0 0 "[ . 1 . 2]" 2
7 1 48 ASN O 1 115 LYS H 2.000 . 2.300 2.190 1.778 2.387 0.087 1 0 "[ . 1 . 2]" 2
8 1 48 ASN O 1 115 LYS N 3.000 2.500 3.300 3.020 2.693 3.173 . 0 0 "[ . 1 . 2]" 2
9 1 43 ARG O 1 91 PHE H 2.000 . 2.300 1.948 1.735 2.225 . 0 0 "[ . 1 . 2]" 2
10 1 43 ARG O 1 91 PHE N 3.000 2.500 3.300 2.892 2.686 3.159 . 0 0 "[ . 1 . 2]" 2
11 1 45 LEU H 1 89 VAL O 2.000 . 2.300 2.204 1.685 2.329 0.029 10 0 "[ . 1 . 2]" 2
12 1 45 LEU N 1 89 VAL O 3.000 2.500 3.300 3.056 2.573 3.187 . 0 0 "[ . 1 . 2]" 2
13 1 45 LEU O 1 89 VAL H 2.000 . 2.300 1.741 1.612 1.926 . 0 0 "[ . 1 . 2]" 2
14 1 45 LEU O 1 89 VAL N 3.000 2.500 3.300 2.701 2.579 2.864 . 0 0 "[ . 1 . 2]" 2
15 1 47 VAL H 1 87 GLY O 2.000 . 2.300 1.942 1.584 2.255 . 0 0 "[ . 1 . 2]" 2
16 1 47 VAL N 1 87 GLY O 3.000 2.500 3.300 2.729 2.479 3.016 0.021 14 0 "[ . 1 . 2]" 2
17 1 47 VAL O 1 87 GLY H 2.000 . 2.300 1.776 1.655 1.935 . 0 0 "[ . 1 . 2]" 2
18 1 47 VAL O 1 87 GLY N 3.000 2.500 3.300 2.615 2.531 2.776 . 0 0 "[ . 1 . 2]" 2
19 1 71 SER H 1 90 LYS O 2.000 . 2.300 2.327 2.306 2.346 0.046 18 0 "[ . 1 . 2]" 2
20 1 71 SER N 1 90 LYS O 3.000 2.500 3.300 3.268 3.164 3.307 0.007 2 0 "[ . 1 . 2]" 2
21 1 71 SER O 1 90 LYS H 2.000 . 2.300 2.051 1.663 2.199 . 0 0 "[ . 1 . 2]" 2
22 1 71 SER O 1 90 LYS N 3.000 2.500 3.300 2.926 2.626 3.052 . 0 0 "[ . 1 . 2]" 2
23 1 73 LYS H 1 88 PHE O 2.000 . 2.300 1.782 1.589 2.080 . 0 0 "[ . 1 . 2]" 2
24 1 73 LYS N 1 88 PHE O 3.000 2.500 3.300 2.715 2.503 2.954 . 0 0 "[ . 1 . 2]" 2
25 1 73 LYS O 1 88 PHE H 2.000 . 2.300 1.689 1.550 1.824 . 0 0 "[ . 1 . 2]" 2
26 1 73 LYS O 1 88 PHE N 3.000 2.500 3.300 2.445 2.409 2.483 0.091 10 0 "[ . 1 . 2]" 2
27 1 75 VAL H 1 86 TYR O 2.000 . 2.300 1.795 1.706 1.893 . 0 0 "[ . 1 . 2]" 2
28 1 75 VAL N 1 86 TYR O 3.000 2.500 3.300 2.521 2.457 2.590 0.043 18 0 "[ . 1 . 2]" 2
29 1 75 VAL O 1 86 TYR H 2.000 . 2.300 2.343 2.334 2.357 0.057 18 0 "[ . 1 . 2]" 2
30 1 75 VAL O 1 86 TYR N 3.000 2.500 3.300 3.319 3.285 3.342 0.042 18 0 "[ . 1 . 2]" 2
31 1 55 ASP O 1 59 LEU H 2.000 . 2.300 2.316 2.212 2.351 0.051 20 0 "[ . 1 . 2]" 2
32 1 55 ASP O 1 59 LEU N 3.000 2.500 3.300 3.283 3.151 3.320 0.020 20 0 "[ . 1 . 2]" 2
33 1 56 GLU O 1 60 ARG H 2.000 . 2.300 2.029 1.943 2.235 . 0 0 "[ . 1 . 2]" 2
34 1 56 GLU O 1 60 ARG N 3.000 2.500 3.300 2.625 2.556 2.795 . 0 0 "[ . 1 . 2]" 2
35 1 57 VAL O 1 61 GLN H 2.000 . 2.300 2.014 1.981 2.062 . 0 0 "[ . 1 . 2]" 2
36 1 57 VAL O 1 61 GLN N 3.000 2.500 3.300 2.962 2.932 3.011 . 0 0 "[ . 1 . 2]" 2
37 1 58 GLN O 1 62 LEU H 2.000 . 2.300 2.269 2.109 2.319 0.019 10 0 "[ . 1 . 2]" 2
38 1 58 GLN O 1 62 LEU N 3.000 2.500 3.300 3.164 2.958 3.240 . 0 0 "[ . 1 . 2]" 2
39 1 59 LEU O 1 63 PHE H 2.000 . 2.300 1.654 1.609 2.002 . 0 0 "[ . 1 . 2]" 2
40 1 59 LEU O 1 63 PHE N 3.000 2.500 3.300 2.544 2.489 2.881 0.011 10 0 "[ . 1 . 2]" 2
41 1 60 ARG O 1 64 GLU H 2.000 . 2.300 1.927 1.677 2.189 . 0 0 "[ . 1 . 2]" 2
42 1 60 ARG O 1 64 GLU N 3.000 2.500 3.300 2.749 2.525 3.017 . 0 0 "[ . 1 . 2]" 2
43 1 61 GLN O 1 65 ARG H 2.000 . 2.300 2.335 2.319 2.408 0.108 2 0 "[ . 1 . 2]" 2
44 1 61 GLN O 1 65 ARG N 3.000 2.500 3.300 3.098 3.037 3.179 . 0 0 "[ . 1 . 2]" 2
45 1 96 SER O 1 100 ALA H 2.000 . 2.300 2.116 1.997 2.259 . 0 0 "[ . 1 . 2]" 2
46 1 96 SER O 1 100 ALA N 3.000 2.500 3.300 2.936 2.820 3.099 . 0 0 "[ . 1 . 2]" 2
47 1 97 ALA O 1 101 ILE H 2.000 . 2.300 1.762 1.671 1.821 . 0 0 "[ . 1 . 2]" 2
48 1 97 ALA O 1 101 ILE N 3.000 2.500 3.300 2.732 2.640 2.792 . 0 0 "[ . 1 . 2]" 2
49 1 98 GLN O 1 102 ALA H 2.000 . 2.300 2.307 2.301 2.313 0.013 10 0 "[ . 1 . 2]" 2
50 1 98 GLN O 1 102 ALA N 3.000 2.500 3.300 3.026 2.990 3.066 . 0 0 "[ . 1 . 2]" 2
51 1 99 GLN O 1 103 GLY H 2.000 . 2.300 2.183 2.023 2.306 0.006 19 0 "[ . 1 . 2]" 2
52 1 99 GLN O 1 103 GLY N 3.000 2.500 3.300 3.060 2.925 3.155 . 0 0 "[ . 1 . 2]" 2
53 1 100 ALA O 1 104 LEU H 2.000 . 2.300 2.040 1.934 2.108 . 0 0 "[ . 1 . 2]" 2
54 1 100 ALA O 1 104 LEU N 3.000 2.500 3.300 2.554 2.522 2.590 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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