NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382890 |
1joo   |
494 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1joo
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 1656
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 1.335
_Distance_constraint_stats_list.Viol_max 0.418
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 7 LEU 0.000 0.000 . 0 "[ ]"
1 8 HIS 0.055 0.025 1 0 "[ ]"
1 9 LYS 0.030 0.018 1 0 "[ ]"
1 10 GLU 0.000 0.000 . 0 "[ ]"
1 11 PRO 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.000 0.000 . 0 "[ ]"
1 13 THR 0.000 0.000 . 0 "[ ]"
1 14 LEU 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.002 0.002 1 0 "[ ]"
1 16 LYS 0.000 0.000 . 0 "[ ]"
1 17 ALA 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 GLY 0.000 0.000 . 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 THR 0.003 0.003 1 0 "[ ]"
1 23 VAL 0.000 0.000 . 0 "[ ]"
1 24 LYS 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.002 0.002 1 0 "[ ]"
1 26 MET 0.000 0.000 . 0 "[ ]"
1 27 TYR 0.047 0.026 1 0 "[ ]"
1 28 LYS 0.000 0.000 . 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 GLN 0.057 0.031 1 0 "[ ]"
1 31 PRO 0.000 0.000 . 0 "[ ]"
1 32 MET 0.014 0.014 1 0 "[ ]"
1 33 THR 0.010 0.010 1 0 "[ ]"
1 34 PHE 0.036 0.021 1 0 "[ ]"
1 35 ARG 0.000 0.000 . 0 "[ ]"
1 36 LEU 0.004 0.003 1 0 "[ ]"
1 37 LEU 0.001 0.001 1 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.000 0.000 . 0 "[ ]"
1 40 ASP 0.000 0.000 . 0 "[ ]"
1 41 THR 0.000 0.000 . 0 "[ ]"
1 42 PRO 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 LYS 0.000 0.000 . 0 "[ ]"
1 46 HIS 0.122 0.122 1 0 "[ ]"
1 47 PRO 0.122 0.122 1 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.022 0.022 1 0 "[ ]"
1 54 TYR 0.022 0.022 1 0 "[ ]"
1 55 GLY 0.000 0.000 . 0 "[ ]"
1 56 PRO 0.000 0.000 . 0 "[ ]"
1 57 GLU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 PHE 0.021 0.015 1 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 LYS 0.017 0.017 1 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 MET 0.020 0.015 1 0 "[ ]"
1 66 VAL 0.005 0.005 1 0 "[ ]"
1 67 GLU 0.014 0.014 1 0 "[ ]"
1 68 ASN 0.016 0.014 1 0 "[ ]"
1 69 ALA 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 LYS 0.000 0.000 . 0 "[ ]"
1 72 ILE 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
1 74 VAL 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 76 PHE 0.000 0.000 . 0 "[ ]"
1 77 ASP 0.002 0.002 1 0 "[ ]"
1 78 LYS 0.001 0.001 1 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 80 GLN 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 82 THR 0.000 0.000 . 0 "[ ]"
1 83 ASP 0.000 0.000 . 0 "[ ]"
1 84 LYS 0.000 0.000 . 0 "[ ]"
1 85 TYR 0.000 0.000 . 0 "[ ]"
1 86 GLY 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.010 0.010 1 0 "[ ]"
1 88 GLY 0.000 0.000 . 0 "[ ]"
1 89 LEU 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.001 0.001 1 0 "[ ]"
1 91 TYR 0.008 0.008 1 0 "[ ]"
1 92 ILE 0.040 0.021 1 0 "[ ]"
1 93 TYR 0.008 0.008 1 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 95 ASP 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 LYS 0.017 0.017 1 0 "[ ]"
1 98 MET 0.000 0.000 . 0 "[ ]"
1 99 VAL 0.000 0.000 . 0 "[ ]"
1 100 ASN 0.021 0.021 1 0 "[ ]"
1 101 GLU 0.000 0.000 . 0 "[ ]"
1 102 ALA 0.063 0.063 1 0 "[ ]"
1 103 LEU 0.069 0.063 1 0 "[ ]"
1 104 VAL 0.000 0.000 . 0 "[ ]"
1 105 ARG 0.000 0.000 . 0 "[ ]"
1 106 GLN 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.004 0.004 1 0 "[ ]"
1 108 LEU 0.000 0.000 . 0 "[ ]"
1 109 ALA 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.000 0.000 . 0 "[ ]"
1 111 VAL 0.000 0.000 . 0 "[ ]"
1 112 ALA 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.555 0.418 1 0 "[ ]"
1 114 VAL 0.012 0.012 1 0 "[ ]"
1 115 TYR 0.555 0.418 1 0 "[ ]"
1 116 LYS 0.000 0.000 . 0 "[ ]"
1 117 PRO 0.000 0.000 . 0 "[ ]"
1 118 ASN 0.013 0.011 1 0 "[ ]"
1 119 ASN 0.028 0.016 1 0 "[ ]"
1 120 THR 0.066 0.064 1 0 "[ ]"
1 121 HIS 0.064 0.064 1 0 "[ ]"
1 122 GLU 0.000 0.000 . 0 "[ ]"
1 123 GLN 0.000 0.000 . 0 "[ ]"
1 124 LEU 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.000 0.000 . 0 "[ ]"
1 128 SER 0.000 0.000 . 0 "[ ]"
1 129 GLU 0.000 0.000 . 0 "[ ]"
1 130 ALA 0.000 0.000 . 0 "[ ]"
1 131 GLN 0.000 0.000 . 0 "[ ]"
1 132 ALA 0.015 0.015 1 0 "[ ]"
1 133 LYS 0.015 0.015 1 0 "[ ]"
1 134 LYS 0.000 0.000 . 0 "[ ]"
1 135 GLU 0.049 0.049 1 0 "[ ]"
1 136 LYS 0.042 0.042 1 0 "[ ]"
1 137 LEU 0.091 0.049 1 0 "[ ]"
1 138 ASN 0.000 0.000 . 0 "[ ]"
1 139 ILE 0.061 0.061 1 0 "[ ]"
1 140 TRP 0.004 0.004 1 0 "[ ]"
1 141 SER 0.006 0.006 1 0 "[ ]"
1 142 GLU 0.006 0.006 1 0 "[ ]"
1 143 ASP 0.001 0.001 1 0 "[ ]"
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 8 HIS H 1 8 HIS HB2 3.800 . 5.300 2.428 2.428 2.428 . 0 0 "[ ]" 1
2 1 8 HIS H 1 8 HIS HB3 3.300 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
3 1 8 HIS H 1 75 GLU HA 5.500 . 6.500 5.810 5.810 5.810 . 0 0 "[ ]" 1
4 1 8 HIS H 1 75 GLU HG3 4.000 . 5.300 3.979 3.979 3.979 . 0 0 "[ ]" 1
5 1 7 LEU MD1 1 8 HIS H 5.400 . 6.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
6 1 7 LEU HG 1 8 HIS H 5.200 . 5.300 4.404 4.404 4.404 . 0 0 "[ ]" 1
7 1 7 LEU QB 1 8 HIS H 3.500 . 5.300 3.124 3.124 3.124 . 0 0 "[ ]" 1
8 1 7 LEU HA 1 8 HIS H 3.800 . 5.300 2.240 2.240 2.240 . 0 0 "[ ]" 1
9 1 8 HIS HA 1 8 HIS HB3 2.800 . 3.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
10 1 8 HIS HA 1 8 HIS HB2 2.800 . 3.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
11 1 8 HIS HB2 1 8 HIS HD2 3.500 . 5.300 3.996 3.996 3.996 . 0 0 "[ ]" 1
12 1 8 HIS HA 1 9 LYS H 2.500 . 2.700 2.718 2.718 2.718 0.018 1 0 "[ ]" 1
13 1 8 HIS HB2 1 9 LYS H 3.200 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
14 1 8 HIS HB3 1 9 LYS H 3.900 . 5.300 1.964 1.964 1.964 . 0 0 "[ ]" 1
15 1 9 LYS H 1 9 LYS HG2 3.500 . 5.300 3.397 3.397 3.397 . 0 0 "[ ]" 1
16 1 9 LYS H 1 9 LYS HG3 3.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
17 1 9 LYS H 1 9 LYS HB3 3.500 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1
18 1 9 LYS H 1 9 LYS HB2 2.700 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
19 1 9 LYS HA 1 9 LYS HB3 2.500 . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1
20 1 9 LYS HA 1 10 GLU H 2.800 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
21 1 10 GLU H 1 10 GLU HB3 3.900 . 5.300 3.643 3.643 3.643 . 0 0 "[ ]" 1
22 1 10 GLU H 1 10 GLU HB2 3.700 . 5.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
23 1 10 GLU H 1 10 GLU HG2 3.100 . 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 1
24 1 9 LYS QE 1 10 GLU H 5.500 . 6.500 5.786 5.786 5.786 . 0 0 "[ ]" 1
25 1 9 LYS HB3 1 10 GLU H 3.000 . 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 1
26 1 9 LYS HB2 1 10 GLU H 4.100 . 5.300 3.995 3.995 3.995 . 0 0 "[ ]" 1
27 1 10 GLU H 1 74 VAL MG2 5.500 . 6.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
28 1 10 GLU H 1 75 GLU HB2 4.400 . 5.300 4.639 4.639 4.639 . 0 0 "[ ]" 1
29 1 9 LYS QG 1 10 GLU H 5.100 . 5.300 4.372 4.372 4.372 . 0 0 "[ ]" 1
30 1 10 GLU H 1 74 VAL HB 5.000 . 5.300 5.194 5.194 5.194 . 0 0 "[ ]" 1
31 1 10 GLU H 1 74 VAL H 3.500 . 5.300 3.204 3.204 3.204 . 0 0 "[ ]" 1
32 1 10 GLU HA 1 10 GLU HB3 2.700 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1
33 1 10 GLU HA 1 11 PRO QD 3.000 . 3.500 1.920 1.920 1.920 . 0 0 "[ ]" 1
34 1 11 PRO HA 1 11 PRO HB3 2.800 . 3.500 2.310 2.310 2.310 . 0 0 "[ ]" 1
35 1 11 PRO HA 1 73 GLU HB3 4.000 . 5.300 4.255 4.255 4.255 . 0 0 "[ ]" 1
36 1 11 PRO HA 1 12 ALA H 2.500 . 2.700 2.243 2.243 2.243 . 0 0 "[ ]" 1
37 1 12 ALA H 1 73 GLU HA 3.500 . 5.300 3.174 3.174 3.174 . 0 0 "[ ]" 1
38 1 11 PRO QG 1 12 ALA H 5.100 . 5.300 4.694 4.694 4.694 . 0 0 "[ ]" 1
39 1 11 PRO HB2 1 12 ALA H 3.200 . 3.500 3.427 3.427 3.427 . 0 0 "[ ]" 1
40 1 11 PRO HB3 1 12 ALA H 3.600 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1
41 1 12 ALA H 1 72 ILE MG 5.600 . 6.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
42 1 12 ALA H 1 74 VAL H 5.000 . 5.300 4.603 4.603 4.603 . 0 0 "[ ]" 1
43 1 12 ALA HA 1 27 TYR HA 4.500 . 5.300 3.471 3.471 3.471 . 0 0 "[ ]" 1
44 1 13 THR H 1 13 THR HB 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
45 1 13 THR H 1 26 MET HB2 3.800 . 5.300 4.535 4.535 4.535 . 0 0 "[ ]" 1
46 1 13 THR H 1 26 MET HB3 3.500 . 5.300 2.849 2.849 2.849 . 0 0 "[ ]" 1
47 1 12 ALA HA 1 13 THR H 2.500 . 2.700 2.424 2.424 2.424 . 0 0 "[ ]" 1
48 1 12 ALA MB 1 13 THR H 3.800 . 5.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
49 1 13 THR H 1 25 LEU HB2 3.500 . 5.300 4.834 4.834 4.834 . 0 0 "[ ]" 1
50 1 13 THR H 1 26 MET H 3.100 . 3.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
51 1 13 THR H 1 13 THR MG 4.400 . 5.300 3.900 3.900 3.900 . 0 0 "[ ]" 1
52 1 13 THR H 1 72 ILE HB 5.000 . 5.300 5.196 5.196 5.196 . 0 0 "[ ]" 1
53 1 13 THR HA 1 14 LEU HB2 5.000 . 5.300 4.618 4.618 4.618 . 0 0 "[ ]" 1
54 1 13 THR HA 1 72 ILE MD 5.000 . 5.300 3.105 3.105 3.105 . 0 0 "[ ]" 1
55 1 13 THR HB 1 26 MET HB3 2.700 . 3.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
56 1 13 THR HB 1 26 MET HB2 4.000 . 5.300 3.591 3.591 3.591 . 0 0 "[ ]" 1
57 1 14 LEU H 1 14 LEU MD1 4.600 . 5.300 4.191 4.191 4.191 . 0 0 "[ ]" 1
58 1 14 LEU H 1 72 ILE MD 4.400 . 5.300 3.194 3.194 3.194 . 0 0 "[ ]" 1
59 1 14 LEU H 1 14 LEU HB3 2.500 . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1
60 1 14 LEU H 1 14 LEU HB2 2.800 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
61 1 14 LEU H 1 14 LEU HA 2.900 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
62 1 14 LEU H 1 14 LEU HG 4.000 . 5.300 4.338 4.338 4.338 . 0 0 "[ ]" 1
63 1 13 THR HB 1 14 LEU H 4.500 . 5.300 3.124 3.124 3.124 . 0 0 "[ ]" 1
64 1 13 THR HA 1 14 LEU H 2.500 . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
65 1 13 THR H 1 14 LEU H 4.500 . 5.300 4.518 4.518 4.518 . 0 0 "[ ]" 1
66 1 14 LEU H 1 15 ILE H 5.000 . 5.300 4.594 4.594 4.594 . 0 0 "[ ]" 1
67 1 14 LEU HA 1 25 LEU MD2 4.000 . 5.300 2.426 2.426 2.426 . 0 0 "[ ]" 1
68 1 14 LEU HA 1 14 LEU MD1 4.000 . 5.300 2.178 2.178 2.178 . 0 0 "[ ]" 1
69 1 14 LEU HA 1 14 LEU HG 4.100 . 5.300 3.006 3.006 3.006 . 0 0 "[ ]" 1
70 1 15 ILE H 1 16 LYS H 2.700 . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
71 1 15 ILE H 1 25 LEU HA 2.900 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
72 1 14 LEU HA 1 15 ILE H 2.700 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
73 1 15 ILE H 1 15 ILE HB 3.100 . 3.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
74 1 15 ILE H 1 15 ILE HG13 3.100 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
75 1 15 ILE H 1 15 ILE HG12 4.300 . 5.300 3.898 3.898 3.898 . 0 0 "[ ]" 1
76 1 15 ILE H 1 15 ILE MD 5.200 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1
77 1 14 LEU HB2 1 15 ILE H 4.500 . 5.300 4.100 4.100 4.100 . 0 0 "[ ]" 1
78 1 14 LEU MD1 1 15 ILE H 4.300 . 5.300 2.165 2.165 2.165 . 0 0 "[ ]" 1
79 1 15 ILE H 1 24 LYS HB3 4.500 . 5.300 4.073 4.073 4.073 . 0 0 "[ ]" 1
80 1 15 ILE H 1 25 LEU HB2 5.000 . 5.300 5.302 5.302 5.302 0.002 1 0 "[ ]" 1
81 1 16 LYS H 1 24 LYS HB3 2.700 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
82 1 15 ILE HA 1 16 LYS H 4.000 . 5.300 3.583 3.583 3.583 . 0 0 "[ ]" 1
83 1 16 LYS H 1 16 LYS HB3 2.800 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
84 1 15 ILE HB 1 16 LYS H 2.500 . 2.700 2.117 2.117 2.117 . 0 0 "[ ]" 1
85 1 15 ILE HG13 1 16 LYS H 4.000 . 5.300 4.189 4.189 4.189 . 0 0 "[ ]" 1
86 1 14 LEU MD1 1 16 LYS H 4.500 . 5.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
87 1 16 LYS H 1 16 LYS HB2 3.500 . 5.300 4.046 4.046 4.046 . 0 0 "[ ]" 1
88 1 16 LYS H 1 25 LEU HA 4.500 . 5.300 3.895 3.895 3.895 . 0 0 "[ ]" 1
89 1 16 LYS H 1 24 LYS H 3.300 . 3.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
90 1 15 ILE MG 1 16 LYS H 4.000 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 1
91 1 14 LEU HA 1 16 LYS H 3.500 . 5.300 4.618 4.618 4.618 . 0 0 "[ ]" 1
92 1 16 LYS HA 1 16 LYS HB2 3.000 . 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
93 1 17 ALA H 1 17 ALA HA 3.000 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
94 1 16 LYS H 1 17 ALA H 4.000 . 5.300 3.837 3.837 3.837 . 0 0 "[ ]" 1
95 1 17 ALA H 1 18 ILE H 4.300 . 5.300 4.645 4.645 4.645 . 0 0 "[ ]" 1
96 1 16 LYS HB3 1 17 ALA H 3.500 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1
97 1 14 LEU HG 1 17 ALA H 4.500 . 5.300 4.505 4.505 4.505 . 0 0 "[ ]" 1
98 1 17 ALA H 1 66 VAL MG2 5.900 . 6.500 4.206 4.206 4.206 . 0 0 "[ ]" 1
99 1 16 LYS QD 1 17 ALA H 5.600 . 6.500 5.709 5.709 5.709 . 0 0 "[ ]" 1
100 1 14 LEU MD1 1 17 ALA H 4.900 . 5.300 3.492 3.492 3.492 . 0 0 "[ ]" 1
101 1 14 LEU MD2 1 17 ALA H 5.100 . 5.300 3.874 3.874 3.874 . 0 0 "[ ]" 1
102 1 17 ALA HA 1 18 ILE H 3.000 . 3.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
103 1 18 ILE H 1 22 THR HB 4.700 . 5.300 3.803 3.803 3.803 . 0 0 "[ ]" 1
104 1 18 ILE H 1 23 VAL HA 4.500 . 5.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
105 1 18 ILE H 1 18 ILE HA 3.000 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1
106 1 18 ILE H 1 23 VAL MG1 4.100 . 5.300 3.192 3.192 3.192 . 0 0 "[ ]" 1
107 1 18 ILE H 1 22 THR MG 5.400 . 6.500 4.383 4.383 4.383 . 0 0 "[ ]" 1
108 1 18 ILE H 1 18 ILE HB 2.800 . 3.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
109 1 17 ALA MB 1 18 ILE H 4.500 . 5.300 2.800 2.800 2.800 . 0 0 "[ ]" 1
110 1 18 ILE H 1 18 ILE HG12 4.600 . 5.300 4.217 4.217 4.217 . 0 0 "[ ]" 1
111 1 18 ILE H 1 18 ILE HG13 2.700 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
112 1 18 ILE H 1 19 ASP HA 4.500 . 5.300 4.708 4.708 4.708 . 0 0 "[ ]" 1
113 1 18 ILE H 1 19 ASP H 2.900 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
114 1 18 ILE H 1 24 LYS H 4.000 . 5.300 3.834 3.834 3.834 . 0 0 "[ ]" 1
115 1 18 ILE HA 1 18 ILE HB 3.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
116 1 18 ILE HA 1 18 ILE HG13 3.100 . 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 1
117 1 18 ILE HA 1 18 ILE HG12 2.300 . 2.700 2.576 2.576 2.576 . 0 0 "[ ]" 1
118 1 19 ASP H 1 22 THR H 3.200 . 3.500 3.202 3.202 3.202 . 0 0 "[ ]" 1
119 1 19 ASP H 1 22 THR HB 3.500 . 5.300 2.393 2.393 2.393 . 0 0 "[ ]" 1
120 1 19 ASP H 1 19 ASP HB2 3.500 . 5.300 2.419 2.419 2.419 . 0 0 "[ ]" 1
121 1 18 ILE HA 1 19 ASP H 3.800 . 5.300 3.588 3.588 3.588 . 0 0 "[ ]" 1
122 1 18 ILE MG 1 19 ASP H 5.100 . 5.300 2.901 2.901 2.901 . 0 0 "[ ]" 1
123 1 18 ILE HG13 1 19 ASP H 5.000 . 5.300 4.294 4.294 4.294 . 0 0 "[ ]" 1
124 1 17 ALA MB 1 19 ASP H 5.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1
125 1 18 ILE HB 1 19 ASP H 2.800 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
126 1 19 ASP H 1 23 VAL MG1 5.400 . 6.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
127 1 19 ASP H 1 22 THR MG 5.500 . 6.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
128 1 19 ASP HA 1 19 ASP HB3 2.800 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
129 1 20 GLY H 1 20 GLY HA3 3.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
130 1 20 GLY H 1 59 SER HA 4.500 . 5.300 3.885 3.885 3.885 . 0 0 "[ ]" 1
131 1 20 GLY H 1 58 ALA MB 6.000 . 6.500 3.926 3.926 3.926 . 0 0 "[ ]" 1
132 1 20 GLY H 1 21 ASP H 3.300 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
133 1 19 ASP HB2 1 20 GLY H 3.500 . 5.300 3.409 3.409 3.409 . 0 0 "[ ]" 1
134 1 19 ASP HB3 1 20 GLY H 2.800 . 3.500 1.872 1.872 1.872 . 0 0 "[ ]" 1
135 1 19 ASP HA 1 20 GLY H 3.800 . 5.300 2.756 2.756 2.756 . 0 0 "[ ]" 1
136 1 20 GLY HA2 1 41 THR MG 5.600 . 6.500 3.592 3.592 3.592 . 0 0 "[ ]" 1
137 1 20 GLY H 1 44 THR MG 5.900 . 6.500 5.296 5.296 5.296 . 0 0 "[ ]" 1
138 1 20 GLY HA3 1 103 LEU MD1 6.000 . 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
139 1 21 ASP H 1 22 THR H 2.600 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
140 1 20 GLY HA2 1 21 ASP H 3.900 . 5.300 3.464 3.464 3.464 . 0 0 "[ ]" 1
141 1 20 GLY HA3 1 21 ASP H 3.400 . 3.500 3.081 3.081 3.081 . 0 0 "[ ]" 1
142 1 21 ASP H 1 21 ASP QB 3.700 . 5.300 2.369 2.369 2.369 . 0 0 "[ ]" 1
143 1 21 ASP HA 1 36 LEU MD1 4.300 . 5.300 2.441 2.441 2.441 . 0 0 "[ ]" 1
144 1 22 THR H 1 23 VAL MG1 4.900 . 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
145 1 22 THR H 1 22 THR HB 3.100 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
146 1 18 ILE HB 1 22 THR H 4.200 . 5.300 4.783 4.783 4.783 . 0 0 "[ ]" 1
147 1 21 ASP HA 1 22 THR H 3.400 . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
148 1 21 ASP QB 1 22 THR H 5.700 . 6.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
149 1 18 ILE H 1 22 THR H 4.800 . 5.300 4.877 4.877 4.877 . 0 0 "[ ]" 1
150 1 20 GLY H 1 22 THR H 4.500 . 5.300 3.724 3.724 3.724 . 0 0 "[ ]" 1
151 1 22 THR H 1 23 VAL H 4.100 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 1
152 1 22 THR H 1 62 THR MG 5.500 . 6.500 4.812 4.812 4.812 . 0 0 "[ ]" 1
153 1 22 THR HA 1 22 THR HB 3.000 . 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
154 1 22 THR HA 1 35 ARG HA 2.700 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
155 1 22 THR HA 1 36 LEU HB2 5.500 . 6.500 6.503 6.503 6.503 0.003 1 0 "[ ]" 1
156 1 22 THR HA 1 23 VAL MG2 5.000 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 1
157 1 22 THR HA 1 33 THR MG 5.900 . 6.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
158 1 22 THR HA 1 23 VAL H 2.500 . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1
159 1 22 THR MG 1 23 VAL H 4.800 . 5.300 2.965 2.965 2.965 . 0 0 "[ ]" 1
160 1 23 VAL H 1 23 VAL MG2 4.200 . 5.300 2.125 2.125 2.125 . 0 0 "[ ]" 1
161 1 23 VAL H 1 23 VAL MG1 4.200 . 5.300 2.905 2.905 2.905 . 0 0 "[ ]" 1
162 1 23 VAL H 1 33 THR MG 5.000 . 5.300 3.374 3.374 3.374 . 0 0 "[ ]" 1
163 1 19 ASP H 1 23 VAL H 5.100 . 5.300 5.128 5.128 5.128 . 0 0 "[ ]" 1
164 1 18 ILE H 1 23 VAL H 4.600 . 5.300 4.838 4.838 4.838 . 0 0 "[ ]" 1
165 1 18 ILE HB 1 23 VAL HA 3.500 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 1
166 1 17 ALA MB 1 23 VAL HA 4.600 . 5.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
167 1 23 VAL HA 1 23 VAL HB 2.700 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
168 1 17 ALA HA 1 24 LYS H 4.000 . 5.300 2.251 2.251 2.251 . 0 0 "[ ]" 1
169 1 23 VAL HA 1 24 LYS H 3.500 . 5.300 2.207 2.207 2.207 . 0 0 "[ ]" 1
170 1 15 ILE H 1 24 LYS H 3.600 . 5.300 4.968 4.968 4.968 . 0 0 "[ ]" 1
171 1 15 ILE MG 1 24 LYS H 6.000 . 6.500 5.179 5.179 5.179 . 0 0 "[ ]" 1
172 1 23 VAL H 1 24 LYS H 4.000 . 5.300 4.309 4.309 4.309 . 0 0 "[ ]" 1
173 1 23 VAL HB 1 24 LYS H 2.800 . 3.500 3.267 3.267 3.267 . 0 0 "[ ]" 1
174 1 24 LYS H 1 24 LYS HB3 2.800 . 3.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
175 1 24 LYS H 1 24 LYS QG 4.600 . 5.300 4.035 4.035 4.035 . 0 0 "[ ]" 1
176 1 24 LYS H 1 24 LYS HB2 3.000 . 3.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
177 1 18 ILE HG13 1 24 LYS H 5.000 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
178 1 14 LEU MD1 1 24 LYS H 5.300 . 6.500 4.205 4.205 4.205 . 0 0 "[ ]" 1
179 1 22 THR MG 1 24 LYS H 6.000 . 6.500 4.919 4.919 4.919 . 0 0 "[ ]" 1
180 1 23 VAL MG2 1 24 LYS H 4.300 . 5.300 3.926 3.926 3.926 . 0 0 "[ ]" 1
181 1 23 VAL MG1 1 24 LYS H 4.700 . 5.300 4.018 4.018 4.018 . 0 0 "[ ]" 1
182 1 24 LYS HA 1 24 LYS HB2 3.000 . 3.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
183 1 15 ILE HB 1 24 LYS HA 4.000 . 5.300 4.286 4.286 4.286 . 0 0 "[ ]" 1
184 1 24 LYS HA 1 33 THR HA 5.000 . 5.300 2.173 2.173 2.173 . 0 0 "[ ]" 1
185 1 25 LEU H 1 31 PRO HA 3.700 . 5.300 4.828 4.828 4.828 . 0 0 "[ ]" 1
186 1 24 LYS HA 1 25 LEU H 2.700 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
187 1 25 LEU H 1 34 PHE HD1 3.600 . 5.300 2.438 2.438 2.438 . 0 0 "[ ]" 1
188 1 24 LYS HB2 1 25 LEU H 4.800 . 5.300 4.465 4.465 4.465 . 0 0 "[ ]" 1
189 1 25 LEU H 1 25 LEU HB2 3.300 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
190 1 25 LEU H 1 25 LEU HB3 4.000 . 5.300 3.904 3.904 3.904 . 0 0 "[ ]" 1
191 1 25 LEU H 1 25 LEU MD1 5.500 . 6.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
192 1 25 LEU H 1 25 LEU MD2 5.000 . 5.300 3.294 3.294 3.294 . 0 0 "[ ]" 1
193 1 24 LYS QG 1 25 LEU H 3.900 . 5.300 2.750 2.750 2.750 . 0 0 "[ ]" 1
194 1 23 VAL MG2 1 25 LEU H 5.700 . 6.500 4.481 4.481 4.481 . 0 0 "[ ]" 1
195 1 24 LYS HB3 1 25 LEU H 3.800 . 5.300 3.864 3.864 3.864 . 0 0 "[ ]" 1
196 1 25 LEU H 1 32 MET H 3.200 . 3.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
197 1 25 LEU H 1 25 LEU HG 3.100 . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1
198 1 14 LEU HA 1 25 LEU HA 2.900 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
199 1 12 ALA MB 1 25 LEU HA 6.000 . 6.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
200 1 25 LEU HA 1 25 LEU HB3 2.700 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
201 1 25 LEU HA 1 25 LEU HG 2.900 . 3.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
202 1 25 LEU HA 1 25 LEU MD1 4.400 . 5.300 3.904 3.904 3.904 . 0 0 "[ ]" 1
203 1 25 LEU HA 1 25 LEU MD2 3.700 . 5.300 2.039 2.039 2.039 . 0 0 "[ ]" 1
204 1 14 LEU MD1 1 25 LEU HA 5.000 . 5.300 3.571 3.571 3.571 . 0 0 "[ ]" 1
205 1 12 ALA MB 1 25 LEU MD1 5.300 . 6.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
206 1 25 LEU MD1 1 92 ILE HG13 5.000 . 5.300 3.487 3.487 3.487 . 0 0 "[ ]" 1
207 1 25 LEU MD1 1 92 ILE MD 5.400 . 6.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
208 1 25 LEU MD1 1 92 ILE MG 6.000 . 6.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
209 1 25 LEU MD1 1 74 VAL MG2 6.000 . 6.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
210 1 15 ILE H 1 26 MET H 4.000 . 5.300 3.891 3.891 3.891 . 0 0 "[ ]" 1
211 1 25 LEU HA 1 26 MET H 2.900 . 3.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
212 1 14 LEU HA 1 26 MET H 4.200 . 5.300 3.678 3.678 3.678 . 0 0 "[ ]" 1
213 1 26 MET H 1 26 MET HB3 3.200 . 3.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
214 1 13 THR MG 1 26 MET H 5.300 . 6.500 4.741 4.741 4.741 . 0 0 "[ ]" 1
215 1 25 LEU MD2 1 26 MET H 5.500 . 6.500 3.880 3.880 3.880 . 0 0 "[ ]" 1
216 1 25 LEU HG 1 26 MET H 5.000 . 5.300 5.106 5.106 5.106 . 0 0 "[ ]" 1
217 1 26 MET H 1 26 MET HB2 3.300 . 3.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
218 1 25 LEU HB2 1 26 MET H 3.600 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1
219 1 15 ILE HB 1 26 MET H 4.000 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
220 1 15 ILE HG12 1 26 MET H 4.100 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1
221 1 15 ILE MD 1 26 MET H 5.800 . 6.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
222 1 26 MET HA 1 26 MET ME 4.600 . 5.300 2.516 2.516 2.516 . 0 0 "[ ]" 1
223 1 26 MET HA 1 26 MET HB2 2.700 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
224 1 26 MET HA 1 26 MET HB3 2.800 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
225 1 26 MET HA 1 26 MET HG3 3.400 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
226 1 15 ILE MD 1 26 MET HA 4.800 . 5.300 1.848 1.848 1.848 . 0 0 "[ ]" 1
227 1 27 TYR H 1 30 GLN H 3.200 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
228 1 27 TYR H 1 29 GLY H 4.000 . 5.300 4.236 4.236 4.236 . 0 0 "[ ]" 1
229 1 27 TYR H 1 27 TYR QD 4.700 . 5.300 4.352 4.352 4.352 . 0 0 "[ ]" 1
230 1 26 MET HA 1 27 TYR H 2.500 . 2.700 2.207 2.207 2.207 . 0 0 "[ ]" 1
231 1 27 TYR H 1 27 TYR HB2 3.300 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
232 1 27 TYR H 1 27 TYR HB3 3.000 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
233 1 27 TYR H 1 30 GLN HB3 5.500 . 6.500 5.751 5.751 5.751 . 0 0 "[ ]" 1
234 1 27 TYR H 1 30 GLN HB2 5.000 . 5.300 5.326 5.326 5.326 0.026 1 0 "[ ]" 1
235 1 26 MET HB2 1 27 TYR H 4.400 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 1
236 1 12 ALA MB 1 27 TYR H 6.000 . 6.500 4.693 4.693 4.693 . 0 0 "[ ]" 1
237 1 26 MET H 1 27 TYR H 4.800 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 1
238 1 15 ILE MD 1 27 TYR H 5.500 . 6.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
239 1 26 MET HA 1 27 TYR HA 3.600 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1
240 1 27 TYR HA 1 27 TYR HB2 2.700 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
241 1 12 ALA MB 1 27 TYR HA 3.600 . 5.300 3.198 3.198 3.198 . 0 0 "[ ]" 1
242 1 10 GLU HB2 1 27 TYR QE 2.700 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
243 1 27 TYR QE 1 28 LYS HB3 5.500 . 6.500 5.276 5.276 5.276 . 0 0 "[ ]" 1
244 1 27 TYR QE 1 76 PHE HD2 6.000 . 6.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
245 1 27 TYR QE 1 74 VAL MG2 4.300 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1
246 1 27 TYR QE 1 74 VAL HB 5.300 . 6.500 5.519 5.519 5.519 . 0 0 "[ ]" 1
247 1 10 GLU HB3 1 27 TYR QE 4.500 . 5.300 1.885 1.885 1.885 . 0 0 "[ ]" 1
248 1 27 TYR QE 1 28 LYS H 4.500 . 5.300 3.577 3.577 3.577 . 0 0 "[ ]" 1
249 1 27 TYR QD 1 74 VAL MG1 5.700 . 6.500 4.593 4.593 4.593 . 0 0 "[ ]" 1
250 1 27 TYR QD 1 74 VAL MG2 4.900 . 5.300 3.215 3.215 3.215 . 0 0 "[ ]" 1
251 1 27 TYR HB2 1 27 TYR QD 2.800 . 3.500 2.713 2.713 2.713 . 0 0 "[ ]" 1
252 1 27 TYR HB3 1 27 TYR QD 2.900 . 3.500 2.310 2.310 2.310 . 0 0 "[ ]" 1
253 1 27 TYR HA 1 27 TYR QD 2.800 . 3.500 2.065 2.065 2.065 . 0 0 "[ ]" 1
254 1 27 TYR QD 1 28 LYS H 3.400 . 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
255 1 12 ALA MB 1 27 TYR QD 4.600 . 5.300 2.860 2.860 2.860 . 0 0 "[ ]" 1
256 1 27 TYR QD 1 32 MET HB2 4.100 . 5.300 4.238 4.238 4.238 . 0 0 "[ ]" 1
257 1 27 TYR QD 1 30 GLN QG 4.800 . 5.300 4.507 4.507 4.507 . 0 0 "[ ]" 1
258 1 27 TYR QD 1 34 PHE HZ 3.500 . 5.300 2.792 2.792 2.792 . 0 0 "[ ]" 1
259 1 27 TYR HB2 1 28 LYS H 4.000 . 5.300 4.106 4.106 4.106 . 0 0 "[ ]" 1
260 1 28 LYS H 1 29 GLY H 2.900 . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
261 1 27 TYR H 1 28 LYS H 4.000 . 5.300 4.444 4.444 4.444 . 0 0 "[ ]" 1
262 1 28 LYS H 1 30 GLN H 3.900 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1
263 1 27 TYR HA 1 28 LYS H 2.400 . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
264 1 28 LYS H 1 28 LYS HA 2.400 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
265 1 28 LYS H 1 28 LYS HB3 3.900 . 5.300 4.110 4.110 4.110 . 0 0 "[ ]" 1
266 1 28 LYS H 1 28 LYS HB2 3.300 . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
267 1 28 LYS H 1 28 LYS HG3 3.300 . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
268 1 28 LYS H 1 28 LYS QD 4.600 . 5.300 4.670 4.670 4.670 . 0 0 "[ ]" 1
269 1 27 TYR HB3 1 28 LYS H 4.100 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1
270 1 28 LYS HA 1 28 LYS HB3 2.400 . 2.700 2.530 2.530 2.530 . 0 0 "[ ]" 1
271 1 28 LYS HA 1 28 LYS HB2 2.900 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
272 1 28 LYS HA 1 28 LYS QD 4.600 . 5.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
273 1 28 LYS HA 1 28 LYS HG3 3.000 . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
274 1 28 LYS HB2 1 28 LYS HG3 2.900 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1
275 1 29 GLY H 1 29 GLY HA2 2.300 . 2.700 2.349 2.349 2.349 . 0 0 "[ ]" 1
276 1 28 LYS HA 1 29 GLY H 2.700 . 3.500 3.012 3.012 3.012 . 0 0 "[ ]" 1
277 1 29 GLY H 1 29 GLY HA3 2.700 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
278 1 27 TYR HA 1 29 GLY H 4.100 . 5.300 3.420 3.420 3.420 . 0 0 "[ ]" 1
279 1 29 GLY H 1 30 GLN H 3.000 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
280 1 28 LYS HB3 1 29 GLY H 4.100 . 5.300 4.423 4.423 4.423 . 0 0 "[ ]" 1
281 1 26 MET HG2 1 29 GLY H 4.600 . 5.300 4.005 4.005 4.005 . 0 0 "[ ]" 1
282 1 28 LYS QG 1 29 GLY H 4.900 . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 1
283 1 28 LYS HB2 1 29 GLY H 4.500 . 5.300 4.044 4.044 4.044 . 0 0 "[ ]" 1
284 1 28 LYS HG3 1 29 GLY H 5.000 . 5.300 5.275 5.275 5.275 . 0 0 "[ ]" 1
285 1 26 MET HA 1 30 GLN H 3.900 . 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1
286 1 30 GLN H 1 30 GLN HB3 3.400 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
287 1 30 GLN H 1 30 GLN HB2 3.800 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
288 1 30 GLN H 1 30 GLN QG 3.400 . 3.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
289 1 29 GLY HA2 1 30 GLN H 2.900 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
290 1 29 GLY HA3 1 30 GLN H 3.800 . 5.300 3.551 3.551 3.551 . 0 0 "[ ]" 1
291 1 28 LYS HB3 1 30 GLN H 4.500 . 5.300 4.908 4.908 4.908 . 0 0 "[ ]" 1
292 1 28 LYS HB2 1 30 GLN H 4.500 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1
293 1 27 TYR HB3 1 30 GLN H 4.500 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1
294 1 30 GLN HA 1 30 GLN HB2 2.500 . 2.700 2.528 2.528 2.528 . 0 0 "[ ]" 1
295 1 30 GLN HA 1 30 GLN HB3 2.800 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
296 1 31 PRO HA 1 31 PRO HB3 2.500 . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 1
297 1 30 GLN HA 1 31 PRO HD2 2.700 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
298 1 27 TYR H 1 32 MET H 4.200 . 5.300 3.413 3.413 3.413 . 0 0 "[ ]" 1
299 1 15 ILE MD 1 32 MET H 4.500 . 5.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
300 1 31 PRO HA 1 32 MET H 2.500 . 2.700 2.249 2.249 2.249 . 0 0 "[ ]" 1
301 1 31 PRO HB2 1 32 MET H 3.600 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1
302 1 32 MET H 1 32 MET HB2 2.800 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
303 1 32 MET H 1 32 MET HB3 3.500 . 5.300 3.588 3.588 3.588 . 0 0 "[ ]" 1
304 1 32 MET HA 1 32 MET HB3 2.800 . 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
305 1 32 MET HA 1 32 MET HG3 3.600 . 5.300 2.722 2.722 2.722 . 0 0 "[ ]" 1
306 1 32 MET HA 1 33 THR H 3.300 . 3.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
307 1 32 MET H 1 33 THR H 4.500 . 5.300 4.419 4.419 4.419 . 0 0 "[ ]" 1
308 1 32 MET HG3 1 33 THR H 4.300 . 5.300 4.663 4.663 4.663 . 0 0 "[ ]" 1
309 1 32 MET HB2 1 33 THR H 4.000 . 5.300 4.333 4.333 4.333 . 0 0 "[ ]" 1
310 1 32 MET HB3 1 33 THR H 2.800 . 3.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
311 1 33 THR H 1 33 THR HB 2.800 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
312 1 33 THR H 1 87 ARG HB3 5.500 . 6.500 6.510 6.510 6.510 0.010 1 0 "[ ]" 1
313 1 32 MET ME 1 33 THR H 5.700 . 6.500 3.645 3.645 3.645 . 0 0 "[ ]" 1
314 1 32 MET QG 1 33 THR H 4.500 . 5.300 3.408 3.408 3.408 . 0 0 "[ ]" 1
315 1 34 PHE H 1 34 PHE HA 3.000 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
316 1 22 THR HA 1 34 PHE H 4.500 . 5.300 4.144 4.144 4.144 . 0 0 "[ ]" 1
317 1 24 LYS HA 1 34 PHE H 3.900 . 5.300 3.335 3.335 3.335 . 0 0 "[ ]" 1
318 1 34 PHE H 1 34 PHE HD1 3.000 . 3.500 3.224 3.224 3.224 . 0 0 "[ ]" 1
319 1 23 VAL H 1 34 PHE H 3.500 . 5.300 2.759 2.759 2.759 . 0 0 "[ ]" 1
320 1 34 PHE H 1 34 PHE HB3 3.600 . 5.300 3.771 3.771 3.771 . 0 0 "[ ]" 1
321 1 34 PHE H 1 34 PHE HB2 3.000 . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
322 1 23 VAL MG2 1 34 PHE H 4.800 . 5.300 3.197 3.197 3.197 . 0 0 "[ ]" 1
323 1 33 THR MG 1 34 PHE H 4.700 . 5.300 2.450 2.450 2.450 . 0 0 "[ ]" 1
324 1 22 THR MG 1 34 PHE H 5.500 . 6.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
325 1 24 LYS HG3 1 34 PHE H 5.000 . 5.300 4.789 4.789 4.789 . 0 0 "[ ]" 1
326 1 34 PHE HA 1 34 PHE HB3 2.800 . 3.500 2.608 2.608 2.608 . 0 0 "[ ]" 1
327 1 34 PHE HE2 1 74 VAL MG1 4.700 . 5.300 3.160 3.160 3.160 . 0 0 "[ ]" 1
328 1 34 PHE HE2 1 74 VAL MG2 5.400 . 6.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
329 1 34 PHE HE2 1 74 VAL HB 3.500 . 5.300 3.139 3.139 3.139 . 0 0 "[ ]" 1
330 1 25 LEU MD1 1 34 PHE HE1 4.500 . 5.300 3.974 3.974 3.974 . 0 0 "[ ]" 1
331 1 34 PHE HE2 1 90 ALA MB 3.900 . 5.300 3.154 3.154 3.154 . 0 0 "[ ]" 1
332 1 34 PHE HE2 1 92 ILE MD 5.800 . 6.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
333 1 25 LEU HB2 1 34 PHE HE1 2.700 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
334 1 25 LEU HB2 1 34 PHE HD1 2.700 . 3.500 3.172 3.172 3.172 . 0 0 "[ ]" 1
335 1 32 MET HB3 1 34 PHE HE1 3.500 . 5.300 2.958 2.958 2.958 . 0 0 "[ ]" 1
336 1 32 MET HB2 1 34 PHE HE1 2.600 . 2.700 2.714 2.714 2.714 0.014 1 0 "[ ]" 1
337 1 34 PHE HE2 1 88 GLY H 5.300 . 6.500 6.116 6.116 6.116 . 0 0 "[ ]" 1
338 1 34 PHE HA 1 34 PHE QD 3.500 . 5.300 2.960 2.960 2.960 . 0 0 "[ ]" 1
339 1 34 PHE HD2 1 88 GLY HA3 3.500 . 5.300 3.445 3.445 3.445 . 0 0 "[ ]" 1
340 1 34 PHE HD2 1 88 GLY H 5.000 . 5.300 5.020 5.020 5.020 . 0 0 "[ ]" 1
341 1 32 MET ME 1 34 PHE HD1 5.700 . 6.500 5.079 5.079 5.079 . 0 0 "[ ]" 1
342 1 32 MET HB2 1 34 PHE HD1 5.000 . 5.300 4.593 4.593 4.593 . 0 0 "[ ]" 1
343 1 32 MET HB3 1 34 PHE HD1 4.000 . 5.300 4.086 4.086 4.086 . 0 0 "[ ]" 1
344 1 34 PHE HB2 1 34 PHE QD 2.900 . 3.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
345 1 34 PHE HB3 1 34 PHE QD 2.700 . 3.500 2.372 2.372 2.372 . 0 0 "[ ]" 1
346 1 34 PHE HD2 1 92 ILE HG12 5.000 . 5.300 5.211 5.211 5.211 . 0 0 "[ ]" 1
347 1 34 PHE HD2 1 92 ILE MD 4.600 . 5.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
348 1 25 LEU MD1 1 34 PHE HD1 4.500 . 5.300 3.057 3.057 3.057 . 0 0 "[ ]" 1
349 1 34 PHE HD2 1 90 ALA MB 3.900 . 5.300 2.714 2.714 2.714 . 0 0 "[ ]" 1
350 1 25 LEU HG 1 34 PHE HD1 2.700 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
351 1 25 LEU HB3 1 34 PHE HD1 4.000 . 5.300 4.596 4.596 4.596 . 0 0 "[ ]" 1
352 1 25 LEU HB3 1 34 PHE HE1 4.000 . 5.300 4.589 4.589 4.589 . 0 0 "[ ]" 1
353 1 34 PHE HD2 1 76 PHE HE1 4.500 . 5.300 4.459 4.459 4.459 . 0 0 "[ ]" 1
354 1 34 PHE HZ 1 74 VAL MG1 5.500 . 6.500 3.719 3.719 3.719 . 0 0 "[ ]" 1
355 1 34 PHE HZ 1 74 VAL MG2 5.600 . 6.500 3.569 3.569 3.569 . 0 0 "[ ]" 1
356 1 27 TYR HB3 1 34 PHE HZ 4.000 . 5.300 2.610 2.610 2.610 . 0 0 "[ ]" 1
357 1 27 TYR HB2 1 34 PHE HZ 3.600 . 5.300 2.581 2.581 2.581 . 0 0 "[ ]" 1
358 1 34 PHE HZ 1 90 ALA MB 6.000 . 6.500 5.242 5.242 5.242 . 0 0 "[ ]" 1
359 1 34 PHE HZ 1 76 PHE HZ 3.200 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
360 1 27 TYR HA 1 34 PHE HE1 5.000 . 5.300 5.321 5.321 5.321 0.021 1 0 "[ ]" 1
361 1 27 TYR HB2 1 34 PHE HE1 3.500 . 5.300 3.170 3.170 3.170 . 0 0 "[ ]" 1
362 1 34 PHE HD2 1 74 VAL MG1 5.500 . 6.500 3.546 3.546 3.546 . 0 0 "[ ]" 1
363 1 35 ARG H 1 35 ARG HB2 3.300 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
364 1 34 PHE HB3 1 35 ARG H 4.200 . 5.300 3.583 3.583 3.583 . 0 0 "[ ]" 1
365 1 34 PHE HA 1 35 ARG H 3.000 . 3.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
366 1 34 PHE QD 1 35 ARG H 4.300 . 5.300 4.181 4.181 4.181 . 0 0 "[ ]" 1
367 1 35 ARG H 1 89 LEU HA 4.000 . 5.300 3.648 3.648 3.648 . 0 0 "[ ]" 1
368 1 35 ARG H 1 90 ALA H 3.500 . 5.300 4.043 4.043 4.043 . 0 0 "[ ]" 1
369 1 35 ARG H 1 35 ARG QG 4.600 . 5.300 4.052 4.052 4.052 . 0 0 "[ ]" 1
370 1 35 ARG HA 1 35 ARG HB2 2.600 . 2.700 2.606 2.606 2.606 . 0 0 "[ ]" 1
371 1 35 ARG HA 1 35 ARG HB3 2.800 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
372 1 33 THR MG 1 35 ARG H 5.700 . 6.500 4.973 4.973 4.973 . 0 0 "[ ]" 1
373 1 35 ARG HA 1 36 LEU H 2.700 . 3.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
374 1 36 LEU H 1 36 LEU HA 2.700 . 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 1
375 1 36 LEU H 1 36 LEU HG 2.500 . 2.700 1.944 1.944 1.944 . 0 0 "[ ]" 1
376 1 36 LEU H 1 36 LEU HB3 3.500 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
377 1 36 LEU H 1 36 LEU HB2 2.600 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
378 1 21 ASP HA 1 36 LEU H 4.100 . 5.300 3.097 3.097 3.097 . 0 0 "[ ]" 1
379 1 22 THR HA 1 36 LEU H 4.000 . 5.300 4.295 4.295 4.295 . 0 0 "[ ]" 1
380 1 35 ARG HB2 1 36 LEU H 4.100 . 5.300 4.528 4.528 4.528 . 0 0 "[ ]" 1
381 1 36 LEU HA 1 36 LEU HB3 2.700 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
382 1 36 LEU HA 1 36 LEU HG 3.400 . 3.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
383 1 36 LEU HA 1 37 LEU H 2.900 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
384 1 37 LEU H 1 37 LEU HA 3.000 . 3.500 2.925 2.925 2.925 . 0 0 "[ ]" 1
385 1 37 LEU H 1 37 LEU HG 3.500 . 5.300 3.709 3.709 3.709 . 0 0 "[ ]" 1
386 1 37 LEU H 1 37 LEU MD2 5.200 . 5.300 4.268 4.268 4.268 . 0 0 "[ ]" 1
387 1 37 LEU H 1 37 LEU MD1 4.700 . 5.300 4.048 4.048 4.048 . 0 0 "[ ]" 1
388 1 37 LEU H 1 37 LEU HB3 4.000 . 5.300 3.261 3.261 3.261 . 0 0 "[ ]" 1
389 1 37 LEU H 1 37 LEU HB2 2.700 . 3.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
390 1 36 LEU MD2 1 37 LEU H 4.200 . 5.300 3.624 3.624 3.624 . 0 0 "[ ]" 1
391 1 36 LEU MD1 1 37 LEU H 6.000 . 6.500 5.063 5.063 5.063 . 0 0 "[ ]" 1
392 1 36 LEU HB3 1 37 LEU H 4.900 . 5.300 3.481 3.481 3.481 . 0 0 "[ ]" 1
393 1 36 LEU HG 1 37 LEU H 5.300 . 6.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
394 1 37 LEU H 1 90 ALA H 3.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
395 1 37 LEU H 1 91 TYR HE1 5.300 . 6.500 4.541 4.541 4.541 . 0 0 "[ ]" 1
396 1 37 LEU H 1 38 LEU H 4.800 . 5.300 4.640 4.640 4.640 . 0 0 "[ ]" 1
397 1 37 LEU H 1 100 ASN HD22 3.600 . 5.300 2.342 2.342 2.342 . 0 0 "[ ]" 1
398 1 37 LEU H 1 100 ASN HD21 3.500 . 5.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
399 1 37 LEU HA 1 37 LEU HG 3.000 . 3.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
400 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.300 2.273 2.273 2.273 . 0 0 "[ ]" 1
401 1 37 LEU HA 1 37 LEU HB3 2.800 . 3.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
402 1 38 LEU H 1 38 LEU HA 2.500 . 2.700 2.345 2.345 2.345 . 0 0 "[ ]" 1
403 1 37 LEU HA 1 38 LEU H 2.400 . 2.700 2.272 2.272 2.272 . 0 0 "[ ]" 1
404 1 38 LEU H 1 38 LEU HB2 3.900 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1
405 1 37 LEU HG 1 38 LEU H 4.600 . 5.300 3.928 3.928 3.928 . 0 0 "[ ]" 1
406 1 38 LEU H 1 38 LEU HG 3.500 . 5.300 2.892 2.892 2.892 . 0 0 "[ ]" 1
407 1 38 LEU H 1 38 LEU MD1 5.500 . 6.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
408 1 37 LEU MD1 1 38 LEU H 5.200 . 6.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
409 1 37 LEU MD2 1 38 LEU H 4.600 . 5.300 2.089 2.089 2.089 . 0 0 "[ ]" 1
410 1 37 LEU HB3 1 38 LEU H 3.000 . 3.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
411 1 37 LEU HB2 1 38 LEU H 3.700 . 5.300 4.312 4.312 4.312 . 0 0 "[ ]" 1
412 1 38 LEU HA 1 125 LEU MD1 6.000 . 6.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
413 1 39 VAL H 1 39 VAL MG2 3.900 . 5.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
414 1 39 VAL H 1 39 VAL MG1 4.200 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1
415 1 38 LEU HA 1 39 VAL H 3.400 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
416 1 37 LEU HA 1 39 VAL H 3.700 . 5.300 3.495 3.495 3.495 . 0 0 "[ ]" 1
417 1 39 VAL H 1 112 ALA MB 4.900 . 5.300 2.189 2.189 2.189 . 0 0 "[ ]" 1
418 1 38 LEU HB2 1 39 VAL H 3.700 . 5.300 4.083 4.083 4.083 . 0 0 "[ ]" 1
419 1 39 VAL H 1 40 ASP H 3.900 . 5.300 4.451 4.451 4.451 . 0 0 "[ ]" 1
420 1 38 LEU H 1 39 VAL H 3.000 . 3.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
421 1 37 LEU HB3 1 39 VAL H 5.000 . 5.300 5.092 5.092 5.092 . 0 0 "[ ]" 1
422 1 38 LEU MD2 1 39 VAL H 5.600 . 6.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
423 1 39 VAL HA 1 111 VAL HA 3.500 . 5.300 2.789 2.789 2.789 . 0 0 "[ ]" 1
424 1 39 VAL HA 1 111 VAL H 5.100 . 5.300 5.086 5.086 5.086 . 0 0 "[ ]" 1
425 1 39 VAL HA 1 39 VAL HB 3.000 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
426 1 38 LEU HB2 1 39 VAL HA 5.000 . 5.300 4.764 4.764 4.764 . 0 0 "[ ]" 1
427 1 39 VAL HA 1 112 ALA MB 5.200 . 5.300 3.138 3.138 3.138 . 0 0 "[ ]" 1
428 1 39 VAL HA 1 109 ALA MB 5.400 . 6.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
429 1 39 VAL HA 1 111 VAL MG1 5.300 . 6.500 4.063 4.063 4.063 . 0 0 "[ ]" 1
430 1 39 VAL HA 1 111 VAL MG2 5.500 . 6.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
431 1 39 VAL HA 1 40 ASP H 2.600 . 2.700 2.322 2.322 2.322 . 0 0 "[ ]" 1
432 1 40 ASP H 1 112 ALA H 3.800 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 1
433 1 40 ASP H 1 40 ASP HB2 3.400 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
434 1 40 ASP H 1 40 ASP HB3 3.500 . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1
435 1 39 VAL MG2 1 40 ASP H 4.800 . 5.300 4.203 4.203 4.203 . 0 0 "[ ]" 1
436 1 39 VAL MG1 1 40 ASP H 4.800 . 5.300 2.413 2.413 2.413 . 0 0 "[ ]" 1
437 1 39 VAL HB 1 40 ASP H 2.700 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
438 1 40 ASP HA 1 40 ASP HB2 3.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
439 1 40 ASP H 1 112 ALA MB 4.600 . 5.300 3.771 3.771 3.771 . 0 0 "[ ]" 1
440 1 40 ASP H 1 109 ALA MB 4.800 . 5.300 2.942 2.942 2.942 . 0 0 "[ ]" 1
441 1 40 ASP HA 1 41 THR H 3.200 . 3.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
442 1 41 THR HA 1 109 ALA HA 3.300 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
443 1 41 THR HA 1 41 THR HB 2.600 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1
444 1 41 THR HA 1 109 ALA MB 5.500 . 6.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
445 1 41 THR HA 1 103 LEU HB3 5.800 . 6.500 6.071 6.071 6.071 . 0 0 "[ ]" 1
446 1 41 THR HB 1 58 ALA MB 4.300 . 5.300 3.636 3.636 3.636 . 0 0 "[ ]" 1
447 1 41 THR HA 1 42 PRO HD3 5.600 . 6.500 2.042 2.042 2.042 . 0 0 "[ ]" 1
448 1 41 THR HA 1 42 PRO HD2 5.500 . 6.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
449 1 43 GLU H 1 43 GLU QG 4.300 . 5.300 3.658 3.658 3.658 . 0 0 "[ ]" 1
450 1 44 THR H 1 44 THR HB 3.500 . 5.300 3.798 3.798 3.798 . 0 0 "[ ]" 1
451 1 44 THR H 1 45 LYS H 3.500 . 5.300 2.323 2.323 2.323 . 0 0 "[ ]" 1
452 1 43 GLU HB2 1 44 THR H 4.000 . 5.300 4.251 4.251 4.251 . 0 0 "[ ]" 1
453 1 43 GLU HB3 1 44 THR H 3.600 . 5.300 3.064 3.064 3.064 . 0 0 "[ ]" 1
454 1 43 GLU HA 1 44 THR H 3.000 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
455 1 43 GLU QG 1 44 THR H 4.500 . 5.300 3.361 3.361 3.361 . 0 0 "[ ]" 1
456 1 44 THR H 1 45 LYS HA 5.000 . 5.300 4.742 4.742 4.742 . 0 0 "[ ]" 1
457 1 44 THR H 1 44 THR HA 3.000 . 3.500 2.993 2.993 2.993 . 0 0 "[ ]" 1
458 1 44 THR HA 1 44 THR HB 2.300 . 2.700 2.407 2.407 2.407 . 0 0 "[ ]" 1
459 1 46 HIS H 1 46 HIS HB3 3.800 . 5.300 3.368 3.368 3.368 . 0 0 "[ ]" 1
460 1 46 HIS H 1 46 HIS HB2 3.500 . 5.300 2.102 2.102 2.102 . 0 0 "[ ]" 1
461 1 45 LYS HA 1 46 HIS H 3.200 . 3.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
462 1 46 HIS HA 1 46 HIS HB3 2.700 . 3.500 2.843 2.843 2.843 . 0 0 "[ ]" 1
463 1 46 HIS HA 1 46 HIS HB2 2.700 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 1
464 1 46 HIS HB2 1 46 HIS HD2 3.100 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
465 1 46 HIS HA 1 47 PRO HD3 3.000 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1
466 1 46 HIS H 1 47 PRO HD3 5.300 . 6.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
467 1 48 LYS H 1 48 LYS HA 2.800 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
468 1 48 LYS H 1 48 LYS QD 5.000 . 5.300 2.658 2.658 2.658 . 0 0 "[ ]" 1
469 1 48 LYS H 1 49 LYS H 3.000 . 3.500 2.118 2.118 2.118 . 0 0 "[ ]" 1
470 1 48 LYS H 1 50 GLY H 3.800 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1
471 1 49 LYS H 1 49 LYS HA 2.700 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
472 1 48 LYS HA 1 49 LYS H 2.600 . 3.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
473 1 50 GLY H 1 51 VAL H 4.000 . 5.300 4.103 4.103 4.103 . 0 0 "[ ]" 1
474 1 50 GLY H 1 50 GLY HA2 2.900 . 3.500 2.385 2.385 2.385 . 0 0 "[ ]" 1
475 1 48 LYS HA 1 50 GLY H 5.100 . 5.300 3.307 3.307 3.307 . 0 0 "[ ]" 1
476 1 49 LYS H 1 50 GLY H 2.900 . 3.500 2.717 2.717 2.717 . 0 0 "[ ]" 1
477 1 49 LYS HA 1 50 GLY H 3.100 . 3.500 3.114 3.114 3.114 . 0 0 "[ ]" 1
478 1 49 LYS QB 1 50 GLY H 4.900 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
479 1 51 VAL H 1 51 VAL QG 3.800 . 5.300 2.286 2.286 2.286 . 0 0 "[ ]" 1
480 1 51 VAL H 1 51 VAL HA 2.700 . 3.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
481 1 50 GLY HA2 1 51 VAL H 3.300 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
482 1 51 VAL H 1 51 VAL HB 2.600 . 2.700 2.557 2.557 2.557 . 0 0 "[ ]" 1
483 1 51 VAL HA 1 51 VAL HB 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
484 1 51 VAL H 1 52 GLU H 4.100 . 5.300 4.542 4.542 4.542 . 0 0 "[ ]" 1
485 1 51 VAL QG 1 52 GLU H 4.900 . 5.300 2.736 2.736 2.736 . 0 0 "[ ]" 1
486 1 52 GLU H 1 52 GLU HB2 2.700 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
487 1 52 GLU H 1 52 GLU HB3 3.500 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
488 1 51 VAL HA 1 52 GLU H 2.600 . 2.700 2.188 2.188 2.188 . 0 0 "[ ]" 1
489 1 52 GLU H 1 52 GLU HA 3.000 . 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
490 1 52 GLU HA 1 53 LYS H 3.300 . 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
491 1 53 LYS HA 1 54 TYR H 2.800 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
492 1 54 TYR H 1 54 TYR QD 4.000 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 1
493 1 54 TYR HE1 1 108 LEU MD2 5.700 . 6.500 4.860 4.860 4.860 . 0 0 "[ ]" 1
494 1 54 TYR HE2 1 139 ILE HA 3.200 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
495 1 54 TYR HE1 1 138 ASN HB3 3.600 . 5.300 3.964 3.964 3.964 . 0 0 "[ ]" 1
496 1 54 TYR HE1 1 138 ASN HA 3.200 . 3.500 3.476 3.476 3.476 . 0 0 "[ ]" 1
497 1 53 LYS HB2 1 54 TYR HE2 5.600 . 6.500 5.757 5.757 5.757 . 0 0 "[ ]" 1
498 1 54 TYR HD2 1 139 ILE MD 6.000 . 6.500 4.851 4.851 4.851 . 0 0 "[ ]" 1
499 1 54 TYR HD2 1 139 ILE MG 5.400 . 6.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
500 1 54 TYR HD2 1 139 ILE QG 4.300 . 5.300 4.079 4.079 4.079 . 0 0 "[ ]" 1
501 1 54 TYR HD1 1 108 LEU MD2 4.700 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1
502 1 54 TYR HA 1 54 TYR HD1 2.900 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
503 1 54 TYR HB2 1 54 TYR QD 2.900 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
504 1 55 GLY H 1 55 GLY HA3 3.000 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
505 1 55 GLY H 1 55 GLY HA2 3.000 . 3.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
506 1 44 THR MG 1 55 GLY H 5.900 . 6.500 4.376 4.376 4.376 . 0 0 "[ ]" 1
507 1 54 TYR H 1 55 GLY H 2.900 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
508 1 51 VAL MG1 1 55 GLY H 5.300 . 6.500 2.102 2.102 2.102 . 0 0 "[ ]" 1
509 1 58 ALA H 1 59 SER H 2.900 . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
510 1 58 ALA H 1 60 ALA H 4.500 . 5.300 4.157 4.157 4.157 . 0 0 "[ ]" 1
511 1 58 ALA H 1 61 PHE H 5.000 . 5.300 4.786 4.786 4.786 . 0 0 "[ ]" 1
512 1 58 ALA H 1 108 LEU MD2 5.300 . 6.500 4.099 4.099 4.099 . 0 0 "[ ]" 1
513 1 57 GLU QG 1 58 ALA H 5.800 . 6.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
514 1 58 ALA HA 1 61 PHE HB3 2.900 . 3.500 2.626 2.626 2.626 . 0 0 "[ ]" 1
515 1 58 ALA HA 1 108 LEU MD1 5.000 . 5.300 2.901 2.901 2.901 . 0 0 "[ ]" 1
516 1 59 SER H 1 59 SER HA 3.000 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
517 1 58 ALA HA 1 59 SER H 3.900 . 5.300 3.521 3.521 3.521 . 0 0 "[ ]" 1
518 1 20 GLY HA2 1 59 SER H 4.100 . 5.300 4.701 4.701 4.701 . 0 0 "[ ]" 1
519 1 59 SER H 1 59 SER HB3 3.300 . 3.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
520 1 58 ALA MB 1 59 SER H 4.400 . 5.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
521 1 59 SER H 1 60 ALA H 3.000 . 3.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
522 1 59 SER H 1 60 ALA MB 5.500 . 6.500 4.200 4.200 4.200 . 0 0 "[ ]" 1
523 1 59 SER H 1 61 PHE H 4.500 . 5.300 4.026 4.026 4.026 . 0 0 "[ ]" 1
524 1 56 PRO HA 1 59 SER H 6.000 . 6.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
525 1 60 ALA H 1 60 ALA HA 3.000 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
526 1 59 SER HA 1 60 ALA H 4.000 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
527 1 59 SER HB3 1 60 ALA H 3.000 . 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
528 1 60 ALA H 1 62 THR H 5.000 . 5.300 3.808 3.808 3.808 . 0 0 "[ ]" 1
529 1 60 ALA HA 1 63 LYS HB2 3.500 . 5.300 3.714 3.714 3.714 . 0 0 "[ ]" 1
530 1 61 PHE H 1 61 PHE HB2 2.700 . 3.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
531 1 61 PHE H 1 61 PHE HB3 2.700 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
532 1 61 PHE H 1 61 PHE HA 2.900 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
533 1 58 ALA HA 1 61 PHE H 3.300 . 3.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
534 1 61 PHE H 1 61 PHE QD 4.800 . 5.300 4.107 4.107 4.107 . 0 0 "[ ]" 1
535 1 61 PHE H 1 108 LEU MD1 5.400 . 6.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
536 1 61 PHE H 1 103 LEU MD2 6.000 . 6.500 4.281 4.281 4.281 . 0 0 "[ ]" 1
537 1 60 ALA H 1 61 PHE H 2.700 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
538 1 60 ALA MB 1 61 PHE H 4.000 . 5.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
539 1 60 ALA HA 1 61 PHE H 3.600 . 5.300 3.542 3.542 3.542 . 0 0 "[ ]" 1
540 1 61 PHE HA 1 61 PHE HB2 2.600 . 2.700 2.400 2.400 2.400 . 0 0 "[ ]" 1
541 1 61 PHE HA 1 64 LYS QB 3.700 . 5.300 2.418 2.418 2.418 . 0 0 "[ ]" 1
542 1 61 PHE HD1 1 62 THR HB 5.000 . 5.300 4.947 4.947 4.947 . 0 0 "[ ]" 1
543 1 61 PHE HB2 1 61 PHE QD 2.800 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
544 1 61 PHE HB3 1 61 PHE QD 2.700 . 3.500 2.436 2.436 2.436 . 0 0 "[ ]" 1
545 1 61 PHE HD1 1 62 THR HA 2.900 . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
546 1 61 PHE HD2 1 108 LEU MD1 4.500 . 5.300 4.323 4.323 4.323 . 0 0 "[ ]" 1
547 1 61 PHE HD1 1 103 LEU MD1 4.200 . 5.300 2.708 2.708 2.708 . 0 0 "[ ]" 1
548 1 61 PHE HD1 1 103 LEU HG 2.900 . 3.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
549 1 61 PHE HD1 1 102 ALA MB 5.700 . 6.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
550 1 61 PHE HD1 1 103 LEU HB3 5.000 . 5.300 5.110 5.110 5.110 . 0 0 "[ ]" 1
551 1 61 PHE HD1 1 103 LEU HB2 5.300 . 6.500 5.193 5.193 5.193 . 0 0 "[ ]" 1
552 1 61 PHE HA 1 61 PHE QD 3.500 . 5.300 3.001 3.001 3.001 . 0 0 "[ ]" 1
553 1 61 PHE HE2 1 108 LEU MD1 5.600 . 6.500 5.292 5.292 5.292 . 0 0 "[ ]" 1
554 1 61 PHE HE1 1 103 LEU MD1 5.000 . 5.300 2.856 2.856 2.856 . 0 0 "[ ]" 1
555 1 61 PHE HE1 1 103 LEU H 3.500 . 5.300 3.682 3.682 3.682 . 0 0 "[ ]" 1
556 1 61 PHE HE1 1 102 ALA MB 4.100 . 5.300 2.824 2.824 2.824 . 0 0 "[ ]" 1
557 1 61 PHE HE1 1 103 LEU HG 3.200 . 3.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
558 1 61 PHE HE1 1 103 LEU HB3 4.100 . 5.300 5.306 5.306 5.306 0.006 1 0 "[ ]" 1
559 1 62 THR H 1 62 THR HA 2.800 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
560 1 61 PHE HB2 1 62 THR H 3.500 . 5.300 4.216 4.216 4.216 . 0 0 "[ ]" 1
561 1 61 PHE HB3 1 62 THR H 2.900 . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
562 1 61 PHE HA 1 62 THR H 3.000 . 3.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
563 1 62 THR H 1 62 THR HB 2.600 . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
564 1 61 PHE HD1 1 62 THR H 3.300 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
565 1 62 THR H 1 63 LYS H 2.900 . 3.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
566 1 62 THR H 1 64 LYS H 4.700 . 5.300 3.670 3.670 3.670 . 0 0 "[ ]" 1
567 1 61 PHE H 1 62 THR H 3.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
568 1 62 THR H 1 63 LYS HB2 5.000 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1
569 1 60 ALA MB 1 62 THR H 5.500 . 6.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
570 1 62 THR H 1 62 THR MG 4.300 . 5.300 3.778 3.778 3.778 . 0 0 "[ ]" 1
571 1 62 THR H 1 103 LEU MD2 4.700 . 5.300 4.071 4.071 4.071 . 0 0 "[ ]" 1
572 1 62 THR H 1 103 LEU MD1 5.800 . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
573 1 62 THR HA 1 65 MET HB3 2.700 . 3.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
574 1 62 THR HA 1 62 THR HB 2.900 . 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
575 1 63 LYS H 1 63 LYS HA 2.800 . 3.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
576 1 62 THR HA 1 63 LYS H 3.800 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1
577 1 61 PHE HA 1 63 LYS H 5.000 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1
578 1 63 LYS H 1 65 MET H 4.500 . 5.300 4.174 4.174 4.174 . 0 0 "[ ]" 1
579 1 63 LYS H 1 64 LYS H 2.700 . 3.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
580 1 63 LYS H 1 63 LYS HB2 2.500 . 2.700 2.239 2.239 2.239 . 0 0 "[ ]" 1
581 1 63 LYS H 1 63 LYS QD 5.200 . 5.300 4.450 4.450 4.450 . 0 0 "[ ]" 1
582 1 62 THR MG 1 63 LYS H 4.800 . 5.300 3.476 3.476 3.476 . 0 0 "[ ]" 1
583 1 63 LYS H 1 63 LYS HG2 3.600 . 5.300 4.502 4.502 4.502 . 0 0 "[ ]" 1
584 1 63 LYS H 1 63 LYS HG3 3.500 . 5.300 4.136 4.136 4.136 . 0 0 "[ ]" 1
585 1 60 ALA HA 1 63 LYS H 5.500 . 6.500 3.525 3.525 3.525 . 0 0 "[ ]" 1
586 1 62 THR HB 1 63 LYS H 2.500 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
587 1 63 LYS HA 1 63 LYS HB3 3.000 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
588 1 63 LYS HA 1 63 LYS HB2 2.200 . 2.700 2.717 2.717 2.717 0.017 1 0 "[ ]" 1
589 1 63 LYS HA 1 63 LYS HG2 2.300 . 2.700 2.436 2.436 2.436 . 0 0 "[ ]" 1
590 1 63 LYS HA 1 63 LYS QD 3.700 . 5.300 3.930 3.930 3.930 . 0 0 "[ ]" 1
591 1 62 THR MG 1 63 LYS HA 4.900 . 5.300 3.661 3.661 3.661 . 0 0 "[ ]" 1
592 1 63 LYS HA 1 66 VAL HB 4.500 . 5.300 4.493 4.493 4.493 . 0 0 "[ ]" 1
593 1 63 LYS HA 1 64 LYS H 3.200 . 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
594 1 64 LYS H 1 64 LYS HA 2.700 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
595 1 61 PHE HA 1 64 LYS H 3.500 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1
596 1 64 LYS H 1 65 MET H 2.600 . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
597 1 64 LYS H 1 66 VAL MG2 6.000 . 6.500 3.750 3.750 3.750 . 0 0 "[ ]" 1
598 1 64 LYS H 1 64 LYS HG2 4.500 . 5.300 4.404 4.404 4.404 . 0 0 "[ ]" 1
599 1 64 LYS H 1 64 LYS HG3 3.600 . 5.300 3.318 3.318 3.318 . 0 0 "[ ]" 1
600 1 64 LYS H 1 64 LYS QD 5.100 . 5.300 3.593 3.593 3.593 . 0 0 "[ ]" 1
601 1 64 LYS H 1 64 LYS HB2 2.300 . 2.700 2.154 2.154 2.154 . 0 0 "[ ]" 1
602 1 63 LYS HB2 1 64 LYS H 4.000 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 1
603 1 64 LYS HA 1 67 GLU HB2 3.400 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1
604 1 64 LYS HA 1 64 LYS HB2 2.700 . 3.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
605 1 64 LYS HA 1 64 LYS HG3 3.700 . 5.300 2.217 2.217 2.217 . 0 0 "[ ]" 1
606 1 62 THR HA 1 65 MET H 3.500 . 5.300 3.747 3.747 3.747 . 0 0 "[ ]" 1
607 1 65 MET H 1 65 MET HA 2.900 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
608 1 65 MET H 1 65 MET QG 4.600 . 5.300 4.015 4.015 4.015 . 0 0 "[ ]" 1
609 1 65 MET H 1 65 MET HB2 3.200 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
610 1 65 MET H 1 66 VAL MG2 5.100 . 5.300 3.746 3.746 3.746 . 0 0 "[ ]" 1
611 1 65 MET H 1 66 VAL MG1 6.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
612 1 64 LYS QG 1 65 MET H 4.400 . 5.300 4.395 4.395 4.395 . 0 0 "[ ]" 1
613 1 63 LYS HB2 1 65 MET H 5.500 . 6.500 5.811 5.811 5.811 . 0 0 "[ ]" 1
614 1 64 LYS HB2 1 65 MET H 4.400 . 5.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
615 1 65 MET H 1 65 MET HB3 2.500 . 2.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
616 1 61 PHE HA 1 65 MET H 3.400 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
617 1 64 LYS HA 1 65 MET H 4.000 . 5.300 3.561 3.561 3.561 . 0 0 "[ ]" 1
618 1 65 MET H 1 66 VAL H 2.800 . 3.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
619 1 65 MET H 1 66 VAL HA 5.300 . 6.500 5.213 5.213 5.213 . 0 0 "[ ]" 1
620 1 65 MET HA 1 65 MET HB3 3.000 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
621 1 65 MET HA 1 65 MET HB2 2.900 . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
622 1 65 MET HA 1 68 ASN HB2 2.900 . 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
623 1 66 VAL H 1 66 VAL MG2 3.800 . 5.300 1.901 1.901 1.901 . 0 0 "[ ]" 1
624 1 66 VAL H 1 66 VAL MG1 3.800 . 5.300 2.262 2.262 2.262 . 0 0 "[ ]" 1
625 1 65 MET HB3 1 66 VAL H 2.900 . 3.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
626 1 66 VAL H 1 66 VAL HB 3.500 . 5.300 3.663 3.663 3.663 . 0 0 "[ ]" 1
627 1 66 VAL H 1 68 ASN H 3.800 . 5.300 3.858 3.858 3.858 . 0 0 "[ ]" 1
628 1 65 MET HA 1 66 VAL H 2.800 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
629 1 63 LYS HA 1 66 VAL H 3.500 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 1
630 1 62 THR MG 1 66 VAL H 5.300 . 6.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
631 1 66 VAL H 1 66 VAL HA 2.800 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
632 1 66 VAL H 1 67 GLU H 2.700 . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
633 1 66 VAL HA 1 66 VAL HB 2.500 . 2.700 2.441 2.441 2.441 . 0 0 "[ ]" 1
634 1 66 VAL HA 1 69 ALA MB 4.900 . 5.300 2.549 2.549 2.549 . 0 0 "[ ]" 1
635 1 66 VAL HA 1 94 ALA MB 4.500 . 5.300 3.224 3.224 3.224 . 0 0 "[ ]" 1
636 1 67 GLU H 1 67 GLU HB2 2.600 . 2.700 2.209 2.209 2.209 . 0 0 "[ ]" 1
637 1 66 VAL HB 1 67 GLU H 3.700 . 5.300 3.883 3.883 3.883 . 0 0 "[ ]" 1
638 1 67 GLU H 1 67 GLU HB3 3.500 . 5.300 3.529 3.529 3.529 . 0 0 "[ ]" 1
639 1 67 GLU H 1 67 GLU HG2 2.800 . 3.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
640 1 63 LYS HA 1 67 GLU H 3.700 . 5.300 3.720 3.720 3.720 . 0 0 "[ ]" 1
641 1 64 LYS HA 1 67 GLU H 3.500 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
642 1 64 LYS HB2 1 67 GLU H 5.500 . 6.500 5.604 5.604 5.604 . 0 0 "[ ]" 1
643 1 67 GLU H 1 67 GLU HA 2.800 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
644 1 67 GLU H 1 69 ALA H 4.000 . 5.300 4.194 4.194 4.194 . 0 0 "[ ]" 1
645 1 67 GLU H 1 68 ASN H 2.700 . 3.500 2.493 2.493 2.493 . 0 0 "[ ]" 1
646 1 65 MET H 1 67 GLU H 3.600 . 5.300 4.047 4.047 4.047 . 0 0 "[ ]" 1
647 1 65 MET HB3 1 67 GLU H 5.000 . 5.300 5.129 5.129 5.129 . 0 0 "[ ]" 1
648 1 66 VAL MG1 1 67 GLU H 4.300 . 5.300 3.843 3.843 3.843 . 0 0 "[ ]" 1
649 1 66 VAL MG2 1 67 GLU H 4.300 . 5.300 1.985 1.985 1.985 . 0 0 "[ ]" 1
650 1 66 VAL HA 1 67 GLU H 3.600 . 5.300 3.531 3.531 3.531 . 0 0 "[ ]" 1
651 1 14 LEU MD2 1 67 GLU H 5.500 . 6.500 3.295 3.295 3.295 . 0 0 "[ ]" 1
652 1 66 VAL MG2 1 67 GLU HA 4.700 . 5.300 3.296 3.296 3.296 . 0 0 "[ ]" 1
653 1 68 ASN H 1 69 ALA H 2.600 . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1
654 1 65 MET HA 1 68 ASN H 3.500 . 5.300 3.728 3.728 3.728 . 0 0 "[ ]" 1
655 1 67 GLU HA 1 68 ASN H 3.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
656 1 68 ASN H 1 68 ASN HB2 2.500 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
657 1 68 ASN H 1 68 ASN HB3 3.500 . 5.300 3.672 3.672 3.672 . 0 0 "[ ]" 1
658 1 67 GLU HB3 1 68 ASN H 3.700 . 5.300 3.528 3.528 3.528 . 0 0 "[ ]" 1
659 1 67 GLU HB2 1 68 ASN H 3.500 . 5.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
660 1 66 VAL MG2 1 68 ASN H 5.300 . 6.500 4.101 4.101 4.101 . 0 0 "[ ]" 1
661 1 68 ASN H 1 69 ALA MB 5.300 . 6.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
662 1 66 VAL HA 1 68 ASN H 3.700 . 5.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
663 1 68 ASN H 1 68 ASN HD22 3.400 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
664 1 68 ASN HB3 1 68 ASN HD21 3.500 . 5.300 3.073 3.073 3.073 . 0 0 "[ ]" 1
665 1 64 LYS HA 1 68 ASN HD21 4.200 . 5.300 4.474 4.474 4.474 . 0 0 "[ ]" 1
666 1 68 ASN HB3 1 68 ASN HD22 3.700 . 5.300 3.856 3.856 3.856 . 0 0 "[ ]" 1
667 1 64 LYS HA 1 68 ASN HD22 3.900 . 5.300 3.327 3.327 3.327 . 0 0 "[ ]" 1
668 1 66 VAL HA 1 69 ALA H 4.100 . 5.300 3.762 3.762 3.762 . 0 0 "[ ]" 1
669 1 68 ASN HA 1 69 ALA H 3.600 . 5.300 3.578 3.578 3.578 . 0 0 "[ ]" 1
670 1 65 MET HA 1 69 ALA H 3.300 . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
671 1 67 GLU HA 1 69 ALA H 3.900 . 5.300 5.043 5.043 5.043 . 0 0 "[ ]" 1
672 1 68 ASN HB2 1 69 ALA H 3.400 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
673 1 68 ASN HB3 1 69 ALA H 3.800 . 5.300 3.706 3.706 3.706 . 0 0 "[ ]" 1
674 1 69 ALA H 1 72 ILE HG13 4.800 . 5.300 5.172 5.172 5.172 . 0 0 "[ ]" 1
675 1 69 ALA H 1 72 ILE MD 5.900 . 6.500 4.485 4.485 4.485 . 0 0 "[ ]" 1
676 1 69 ALA H 1 70 LYS H 4.600 . 5.300 4.273 4.273 4.273 . 0 0 "[ ]" 1
677 1 66 VAL H 1 69 ALA H 4.900 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1
678 1 70 LYS H 1 70 LYS HA 3.000 . 3.500 2.883 2.883 2.883 . 0 0 "[ ]" 1
679 1 69 ALA HA 1 70 LYS H 3.200 . 3.500 2.267 2.267 2.267 . 0 0 "[ ]" 1
680 1 70 LYS H 1 95 ASP H 4.300 . 5.300 5.101 5.101 5.101 . 0 0 "[ ]" 1
681 1 70 LYS H 1 70 LYS HB3 4.000 . 5.300 3.601 3.601 3.601 . 0 0 "[ ]" 1
682 1 70 LYS H 1 70 LYS HB2 3.500 . 5.300 2.778 2.778 2.778 . 0 0 "[ ]" 1
683 1 70 LYS H 1 70 LYS HG2 3.300 . 3.500 2.434 2.434 2.434 . 0 0 "[ ]" 1
684 1 69 ALA MB 1 70 LYS H 4.800 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 1
685 1 70 LYS H 1 70 LYS HG3 3.200 . 3.500 2.064 2.064 2.064 . 0 0 "[ ]" 1
686 1 70 LYS HA 1 70 LYS HB3 2.800 . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
687 1 69 ALA MB 1 70 LYS HA 5.500 . 6.500 4.466 4.466 4.466 . 0 0 "[ ]" 1
688 1 70 LYS HA 1 70 LYS HD3 5.100 . 5.300 4.403 4.403 4.403 . 0 0 "[ ]" 1
689 1 70 LYS HA 1 71 LYS H 3.800 . 5.300 3.530 3.530 3.530 . 0 0 "[ ]" 1
690 1 71 LYS H 1 71 LYS HB3 3.500 . 5.300 3.696 3.696 3.696 . 0 0 "[ ]" 1
691 1 71 LYS H 1 71 LYS HB2 2.700 . 3.500 2.758 2.758 2.758 . 0 0 "[ ]" 1
692 1 71 LYS H 1 71 LYS HG3 3.200 . 3.500 2.177 2.177 2.177 . 0 0 "[ ]" 1
693 1 71 LYS H 1 71 LYS HG2 4.000 . 5.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
694 1 69 ALA MB 1 71 LYS H 4.900 . 5.300 3.539 3.539 3.539 . 0 0 "[ ]" 1
695 1 70 LYS H 1 71 LYS H 2.900 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
696 1 70 LYS HB2 1 71 LYS H 3.000 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
697 1 71 LYS HA 1 71 LYS HB3 2.900 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
698 1 72 ILE H 1 72 ILE MD 5.400 . 6.500 3.233 3.233 3.233 . 0 0 "[ ]" 1
699 1 72 ILE H 1 72 ILE HG12 4.300 . 5.300 4.077 4.077 4.077 . 0 0 "[ ]" 1
700 1 71 LYS HA 1 72 ILE H 2.700 . 3.500 2.331 2.331 2.331 . 0 0 "[ ]" 1
701 1 71 LYS HB2 1 72 ILE H 4.400 . 5.300 4.374 4.374 4.374 . 0 0 "[ ]" 1
702 1 71 LYS HB3 1 72 ILE H 3.500 . 5.300 4.158 4.158 4.158 . 0 0 "[ ]" 1
703 1 12 ALA H 1 72 ILE H 3.900 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1
704 1 72 ILE H 1 72 ILE HG13 3.200 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
705 1 71 LYS HG2 1 72 ILE H 4.000 . 5.300 4.867 4.867 4.867 . 0 0 "[ ]" 1
706 1 72 ILE H 1 72 ILE HB 2.500 . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
707 1 72 ILE HA 1 72 ILE HB 2.700 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
708 1 72 ILE HA 1 94 ALA HA 2.900 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
709 1 72 ILE HA 1 94 ALA MB 4.500 . 5.300 4.240 4.240 4.240 . 0 0 "[ ]" 1
710 1 69 ALA MB 1 72 ILE HA 5.700 . 6.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
711 1 12 ALA MB 1 72 ILE MG 5.600 . 6.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
712 1 73 GLU H 1 94 ALA MB 5.500 . 6.500 5.286 5.286 5.286 . 0 0 "[ ]" 1
713 1 73 GLU H 1 92 ILE MG 5.500 . 6.500 4.136 4.136 4.136 . 0 0 "[ ]" 1
714 1 72 ILE HA 1 73 GLU H 2.500 . 2.700 2.194 2.194 2.194 . 0 0 "[ ]" 1
715 1 72 ILE MG 1 73 GLU H 4.300 . 5.300 2.898 2.898 2.898 . 0 0 "[ ]" 1
716 1 73 GLU H 1 73 GLU QG 3.500 . 5.300 2.634 2.634 2.634 . 0 0 "[ ]" 1
717 1 73 GLU H 1 73 GLU QB 3.500 . 5.300 2.585 2.585 2.585 . 0 0 "[ ]" 1
718 1 73 GLU H 1 93 TYR HB2 3.500 . 5.300 2.798 2.798 2.798 . 0 0 "[ ]" 1
719 1 73 GLU H 1 94 ALA HA 4.000 . 5.300 4.064 4.064 4.064 . 0 0 "[ ]" 1
720 1 72 ILE HB 1 73 GLU H 4.300 . 5.300 4.383 4.383 4.383 . 0 0 "[ ]" 1
721 1 73 GLU H 1 93 TYR HD2 4.300 . 5.300 4.649 4.649 4.649 . 0 0 "[ ]" 1
722 1 73 GLU H 1 73 GLU HA 3.000 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
723 1 72 ILE HG13 1 73 GLU H 4.700 . 5.300 4.788 4.788 4.788 . 0 0 "[ ]" 1
724 1 72 ILE HG12 1 73 GLU H 4.200 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1
725 1 73 GLU H 1 93 TYR H 3.400 . 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 1
726 1 12 ALA MB 1 73 GLU HA 5.000 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
727 1 72 ILE HB 1 73 GLU HA 5.000 . 5.300 4.859 4.859 4.859 . 0 0 "[ ]" 1
728 1 11 PRO HA 1 73 GLU HA 2.700 . 3.500 3.070 3.070 3.070 . 0 0 "[ ]" 1
729 1 73 GLU HA 1 74 VAL H 2.600 . 2.700 2.299 2.299 2.299 . 0 0 "[ ]" 1
730 1 11 PRO HA 1 74 VAL H 4.500 . 5.300 4.355 4.355 4.355 . 0 0 "[ ]" 1
731 1 73 GLU QB 1 74 VAL H 4.000 . 5.300 2.797 2.797 2.797 . 0 0 "[ ]" 1
732 1 74 VAL H 1 74 VAL HB 3.600 . 5.300 3.716 3.716 3.716 . 0 0 "[ ]" 1
733 1 73 GLU H 1 74 VAL H 4.500 . 5.300 4.532 4.532 4.532 . 0 0 "[ ]" 1
734 1 72 ILE MG 1 74 VAL H 5.900 . 6.500 4.647 4.647 4.647 . 0 0 "[ ]" 1
735 1 74 VAL MG1 1 92 ILE MD 5.600 . 6.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
736 1 25 LEU MD1 1 74 VAL MG1 5.000 . 5.300 2.493 2.493 2.493 . 0 0 "[ ]" 1
737 1 74 VAL MG1 1 92 ILE MG 5.700 . 6.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
738 1 74 VAL MG1 1 90 ALA MB 5.800 . 6.500 3.966 3.966 3.966 . 0 0 "[ ]" 1
739 1 74 VAL MG1 1 92 ILE HG12 5.300 . 6.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
740 1 75 GLU H 1 93 TYR HE2 4.300 . 5.300 3.553 3.553 3.553 . 0 0 "[ ]" 1
741 1 75 GLU H 1 93 TYR HD2 4.200 . 5.300 3.620 3.620 3.620 . 0 0 "[ ]" 1
742 1 75 GLU H 1 90 ALA MB 4.300 . 5.300 2.959 2.959 2.959 . 0 0 "[ ]" 1
743 1 74 VAL MG1 1 75 GLU H 5.100 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
744 1 74 VAL MG2 1 75 GLU H 5.100 . 5.300 3.945 3.945 3.945 . 0 0 "[ ]" 1
745 1 74 VAL HB 1 75 GLU H 3.300 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
746 1 75 GLU H 1 75 GLU HB2 3.300 . 3.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
747 1 75 GLU H 1 75 GLU HB3 3.100 . 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
748 1 75 GLU H 1 91 TYR HB2 3.500 . 5.300 3.655 3.655 3.655 . 0 0 "[ ]" 1
749 1 74 VAL HA 1 75 GLU H 3.500 . 5.300 2.290 2.290 2.290 . 0 0 "[ ]" 1
750 1 75 GLU HA 1 75 GLU QG 3.600 . 5.300 2.362 2.362 2.362 . 0 0 "[ ]" 1
751 1 9 LYS HA 1 75 GLU HA 3.100 . 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
752 1 76 PHE H 1 76 PHE HB3 3.700 . 5.300 3.580 3.580 3.580 . 0 0 "[ ]" 1
753 1 75 GLU HA 1 76 PHE H 2.600 . 2.700 2.223 2.223 2.223 . 0 0 "[ ]" 1
754 1 9 LYS HA 1 76 PHE H 4.500 . 5.300 5.204 5.204 5.204 . 0 0 "[ ]" 1
755 1 76 PHE H 1 76 PHE HD2 2.900 . 3.500 2.531 2.531 2.531 . 0 0 "[ ]" 1
756 1 76 PHE H 1 76 PHE QE 4.600 . 5.300 4.578 4.578 4.578 . 0 0 "[ ]" 1
757 1 76 PHE H 1 76 PHE HB2 2.700 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
758 1 75 GLU HB3 1 76 PHE H 4.300 . 5.300 4.362 4.362 4.362 . 0 0 "[ ]" 1
759 1 75 GLU HB2 1 76 PHE H 4.500 . 5.300 4.546 4.546 4.546 . 0 0 "[ ]" 1
760 1 76 PHE HA 1 76 PHE HB3 2.900 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
761 1 76 PHE HA 1 90 ALA HA 4.500 . 5.300 2.732 2.732 2.732 . 0 0 "[ ]" 1
762 1 27 TYR QE 1 76 PHE HE2 3.500 . 5.300 2.600 2.600 2.600 . 0 0 "[ ]" 1
763 1 76 PHE HE1 1 89 LEU H 3.100 . 3.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
764 1 76 PHE HE1 1 90 ALA MB 5.300 . 6.500 3.059 3.059 3.059 . 0 0 "[ ]" 1
765 1 32 MET ME 1 76 PHE HE1 6.000 . 6.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
766 1 76 PHE HE1 1 88 GLY HA2 3.500 . 5.300 2.620 2.620 2.620 . 0 0 "[ ]" 1
767 1 76 PHE HD1 1 81 ARG HG3 4.200 . 5.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
768 1 76 PHE HA 1 76 PHE HD1 2.800 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
769 1 76 PHE HD1 1 81 ARG HB2 4.100 . 5.300 4.710 4.710 4.710 . 0 0 "[ ]" 1
770 1 76 PHE HB3 1 76 PHE QD 2.700 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
771 1 76 PHE HB2 1 76 PHE QD 2.700 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
772 1 76 PHE HD1 1 90 ALA MB 5.000 . 5.300 2.375 2.375 2.375 . 0 0 "[ ]" 1
773 1 32 MET ME 1 76 PHE HZ 5.400 . 6.500 2.780 2.780 2.780 . 0 0 "[ ]" 1
774 1 34 PHE HE2 1 76 PHE HZ 5.000 . 5.300 2.339 2.339 2.339 . 0 0 "[ ]" 1
775 1 76 PHE HZ 1 90 ALA MB 6.000 . 6.500 3.840 3.840 3.840 . 0 0 "[ ]" 1
776 1 77 ASP H 1 79 GLY H 4.300 . 5.300 4.494 4.494 4.494 . 0 0 "[ ]" 1
777 1 76 PHE HD1 1 77 ASP H 3.900 . 5.300 3.569 3.569 3.569 . 0 0 "[ ]" 1
778 1 37 LEU MD1 1 77 ASP H 4.900 . 5.300 3.378 3.378 3.378 . 0 0 "[ ]" 1
779 1 76 PHE HB3 1 77 ASP H 3.000 . 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 1
780 1 76 PHE HB2 1 77 ASP H 3.800 . 5.300 4.179 4.179 4.179 . 0 0 "[ ]" 1
781 1 77 ASP H 1 77 ASP HB3 4.100 . 5.300 2.871 2.871 2.871 . 0 0 "[ ]" 1
782 1 77 ASP H 1 77 ASP HB2 3.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
783 1 76 PHE HA 1 77 ASP H 2.900 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
784 1 77 ASP H 1 118 ASN HA 5.500 . 6.500 6.502 6.502 6.502 0.002 1 0 "[ ]" 1
785 1 77 ASP HA 1 77 ASP HB3 3.000 . 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
786 1 77 ASP HA 1 77 ASP HB2 2.800 . 3.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
787 1 77 ASP HA 1 120 THR MG 5.500 . 6.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
788 1 7 LEU MD2 1 77 ASP HA 3.600 . 5.300 3.631 3.631 3.631 . 0 0 "[ ]" 1
789 1 7 LEU MD1 1 77 ASP HA 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
790 1 37 LEU MD1 1 77 ASP HA 5.800 . 6.500 4.943 4.943 4.943 . 0 0 "[ ]" 1
791 1 78 LYS H 1 78 LYS HB3 3.500 . 5.300 2.564 2.564 2.564 . 0 0 "[ ]" 1
792 1 78 LYS H 1 78 LYS HA 3.000 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
793 1 77 ASP HA 1 78 LYS H 2.900 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
794 1 78 LYS H 1 79 GLY H 2.700 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
795 1 77 ASP HB3 1 78 LYS H 3.400 . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
796 1 77 ASP HB2 1 78 LYS H 5.500 . 6.500 4.115 4.115 4.115 . 0 0 "[ ]" 1
797 1 78 LYS H 1 78 LYS QD 4.900 . 5.300 3.965 3.965 3.965 . 0 0 "[ ]" 1
798 1 78 LYS H 1 78 LYS HG3 3.400 . 3.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
799 1 78 LYS HA 1 78 LYS HB3 2.500 . 2.700 2.456 2.456 2.456 . 0 0 "[ ]" 1
800 1 79 GLY H 1 118 ASN HD21 4.500 . 5.300 5.248 5.248 5.248 . 0 0 "[ ]" 1
801 1 79 GLY H 1 118 ASN HD22 3.900 . 5.300 4.287 4.287 4.287 . 0 0 "[ ]" 1
802 1 78 LYS HA 1 79 GLY H 3.500 . 5.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
803 1 78 LYS HB2 1 79 GLY H 3.500 . 5.300 4.060 4.060 4.060 . 0 0 "[ ]" 1
804 1 78 LYS HB3 1 79 GLY H 4.000 . 5.300 4.194 4.194 4.194 . 0 0 "[ ]" 1
805 1 78 LYS QD 1 79 GLY H 6.000 . 6.500 4.504 4.504 4.504 . 0 0 "[ ]" 1
806 1 77 ASP HB3 1 79 GLY H 4.400 . 5.300 2.316 2.316 2.316 . 0 0 "[ ]" 1
807 1 77 ASP HB2 1 79 GLY H 5.000 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 1
808 1 79 GLY H 1 79 GLY HA3 2.800 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
809 1 79 GLY H 1 79 GLY HA2 3.000 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
810 1 79 GLY H 1 118 ASN HA 3.500 . 5.300 3.881 3.881 3.881 . 0 0 "[ ]" 1
811 1 79 GLY H 1 119 ASN H 5.500 . 6.500 5.369 5.369 5.369 . 0 0 "[ ]" 1
812 1 80 GLN H 1 118 ASN HD21 4.000 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1
813 1 80 GLN H 1 118 ASN HD22 3.900 . 5.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
814 1 80 GLN H 1 80 GLN HB2 2.700 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
815 1 80 GLN H 1 80 GLN HB3 3.500 . 5.300 3.597 3.597 3.597 . 0 0 "[ ]" 1
816 1 80 GLN H 1 80 GLN QG 4.000 . 5.300 2.503 2.503 2.503 . 0 0 "[ ]" 1
817 1 79 GLY HA2 1 80 GLN H 3.500 . 5.300 2.815 2.815 2.815 . 0 0 "[ ]" 1
818 1 79 GLY HA3 1 80 GLN H 3.300 . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
819 1 80 GLN H 1 80 GLN HA 3.000 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
820 1 80 GLN H 1 81 ARG H 5.000 . 5.300 4.619 4.619 4.619 . 0 0 "[ ]" 1
821 1 81 ARG H 1 81 ARG HA 2.900 . 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
822 1 80 GLN HB2 1 81 ARG H 4.000 . 5.300 3.425 3.425 3.425 . 0 0 "[ ]" 1
823 1 80 GLN HB3 1 81 ARG H 2.900 . 3.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
824 1 80 GLN QG 1 81 ARG H 5.000 . 5.300 3.480 3.480 3.480 . 0 0 "[ ]" 1
825 1 81 ARG H 1 81 ARG HB3 3.500 . 5.300 2.832 2.832 2.832 . 0 0 "[ ]" 1
826 1 81 ARG H 1 81 ARG HB2 2.900 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
827 1 81 ARG H 1 81 ARG QG 3.900 . 5.300 4.119 4.119 4.119 . 0 0 "[ ]" 1
828 1 80 GLN HA 1 81 ARG H 2.500 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
829 1 80 GLN HB3 1 82 THR H 3.100 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
830 1 80 GLN QG 1 82 THR H 5.300 . 6.500 4.548 4.548 4.548 . 0 0 "[ ]" 1
831 1 81 ARG HA 1 82 THR H 3.500 . 5.300 3.543 3.543 3.543 . 0 0 "[ ]" 1
832 1 82 THR H 1 82 THR MG 4.400 . 5.300 2.725 2.725 2.725 . 0 0 "[ ]" 1
833 1 81 ARG HB3 1 82 THR H 4.000 . 5.300 2.692 2.692 2.692 . 0 0 "[ ]" 1
834 1 82 THR H 1 89 LEU MD1 5.400 . 6.500 4.507 4.507 4.507 . 0 0 "[ ]" 1
835 1 81 ARG QG 1 82 THR H 4.800 . 5.300 3.983 3.983 3.983 . 0 0 "[ ]" 1
836 1 82 THR H 1 82 THR HB 3.700 . 5.300 3.846 3.846 3.846 . 0 0 "[ ]" 1
837 1 81 ARG H 1 82 THR H 2.600 . 2.700 1.946 1.946 1.946 . 0 0 "[ ]" 1
838 1 81 ARG HB2 1 82 THR H 3.500 . 5.300 3.768 3.768 3.768 . 0 0 "[ ]" 1
839 1 80 GLN HB2 1 82 THR H 4.200 . 5.300 4.412 4.412 4.412 . 0 0 "[ ]" 1
840 1 82 THR HA 1 82 THR HB 2.600 . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
841 1 82 THR HA 1 88 GLY HA2 2.900 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
842 1 82 THR HA 1 89 LEU HG 2.800 . 3.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
843 1 82 THR HA 1 89 LEU HB2 4.000 . 5.300 3.955 3.955 3.955 . 0 0 "[ ]" 1
844 1 82 THR HA 1 89 LEU MD1 4.900 . 5.300 4.152 4.152 4.152 . 0 0 "[ ]" 1
845 1 82 THR HA 1 83 ASP H 2.700 . 3.500 2.225 2.225 2.225 . 0 0 "[ ]" 1
846 1 82 THR HB 1 83 ASP H 2.800 . 3.500 3.176 3.176 3.176 . 0 0 "[ ]" 1
847 1 83 ASP H 1 83 ASP HB3 3.300 . 3.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
848 1 83 ASP H 1 89 LEU HG 3.200 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
849 1 82 THR MG 1 83 ASP H 4.500 . 5.300 4.051 4.051 4.051 . 0 0 "[ ]" 1
850 1 83 ASP H 1 89 LEU MD1 4.800 . 5.300 3.442 3.442 3.442 . 0 0 "[ ]" 1
851 1 83 ASP H 1 87 ARG H 2.800 . 3.500 2.570 2.570 2.570 . 0 0 "[ ]" 1
852 1 83 ASP HA 1 83 ASP HB3 2.700 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
853 1 83 ASP HA 1 83 ASP HB2 2.900 . 3.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
854 1 83 ASP HA 1 89 LEU MD1 4.500 . 5.300 2.579 2.579 2.579 . 0 0 "[ ]" 1
855 1 84 LYS H 1 84 LYS HG3 3.500 . 5.300 3.410 3.410 3.410 . 0 0 "[ ]" 1
856 1 84 LYS H 1 84 LYS HG2 2.900 . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
857 1 84 LYS H 1 84 LYS HB3 3.500 . 5.300 3.558 3.558 3.558 . 0 0 "[ ]" 1
858 1 84 LYS H 1 84 LYS HB2 2.900 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
859 1 83 ASP HB2 1 84 LYS H 3.200 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
860 1 83 ASP HB3 1 84 LYS H 3.600 . 5.300 1.871 1.871 1.871 . 0 0 "[ ]" 1
861 1 83 ASP HA 1 84 LYS H 3.300 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
862 1 84 LYS H 1 84 LYS HA 2.800 . 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 1
863 1 84 LYS HA 1 84 LYS HB2 2.800 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
864 1 84 LYS HA 1 84 LYS HB3 2.900 . 3.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
865 1 85 TYR H 1 85 TYR HB2 2.900 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
866 1 85 TYR H 1 86 GLY H 2.600 . 2.700 2.363 2.363 2.363 . 0 0 "[ ]" 1
867 1 84 LYS HA 1 85 TYR H 4.000 . 5.300 3.426 3.426 3.426 . 0 0 "[ ]" 1
868 1 84 LYS HG3 1 85 TYR H 5.200 . 5.300 5.172 5.172 5.172 . 0 0 "[ ]" 1
869 1 84 LYS HG2 1 85 TYR H 5.000 . 5.300 4.853 4.853 4.853 . 0 0 "[ ]" 1
870 1 84 LYS HB3 1 85 TYR H 5.400 . 6.500 3.875 3.875 3.875 . 0 0 "[ ]" 1
871 1 85 TYR H 1 87 ARG H 3.500 . 5.300 3.318 3.318 3.318 . 0 0 "[ ]" 1
872 1 85 TYR HB2 1 85 TYR QD 2.800 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
873 1 85 TYR HB3 1 85 TYR QD 2.900 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
874 1 85 TYR H 1 85 TYR HD1 2.900 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
875 1 85 TYR HD1 1 86 GLY H 5.000 . 5.300 4.660 4.660 4.660 . 0 0 "[ ]" 1
876 1 86 GLY H 1 86 GLY HA2 2.700 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
877 1 86 GLY H 1 86 GLY HA3 3.000 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
878 1 85 TYR HA 1 86 GLY H 3.900 . 5.300 3.239 3.239 3.239 . 0 0 "[ ]" 1
879 1 85 TYR HB3 1 86 GLY H 4.500 . 5.300 4.192 4.192 4.192 . 0 0 "[ ]" 1
880 1 85 TYR HB2 1 86 GLY H 4.100 . 5.300 3.714 3.714 3.714 . 0 0 "[ ]" 1
881 1 82 THR HB 1 86 GLY H 4.500 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
882 1 84 LYS HA 1 86 GLY H 4.600 . 5.300 3.693 3.693 3.693 . 0 0 "[ ]" 1
883 1 87 ARG H 1 87 ARG HB3 4.000 . 5.300 3.697 3.697 3.697 . 0 0 "[ ]" 1
884 1 86 GLY H 1 87 ARG H 2.800 . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
885 1 86 GLY HA3 1 87 ARG H 3.900 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1
886 1 86 GLY HA2 1 87 ARG H 3.800 . 5.300 2.928 2.928 2.928 . 0 0 "[ ]" 1
887 1 87 ARG H 1 87 ARG HB2 3.500 . 5.300 2.721 2.721 2.721 . 0 0 "[ ]" 1
888 1 87 ARG H 1 87 ARG QD 2.900 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
889 1 85 TYR HB3 1 87 ARG H 4.000 . 5.300 4.607 4.607 4.607 . 0 0 "[ ]" 1
890 1 85 TYR HB2 1 87 ARG H 4.000 . 5.300 3.869 3.869 3.869 . 0 0 "[ ]" 1
891 1 82 THR HB 1 87 ARG H 4.500 . 5.300 3.666 3.666 3.666 . 0 0 "[ ]" 1
892 1 87 ARG H 1 87 ARG QG 4.000 . 5.300 2.113 2.113 2.113 . 0 0 "[ ]" 1
893 1 82 THR MG 1 87 ARG H 6.000 . 6.500 4.743 4.743 4.743 . 0 0 "[ ]" 1
894 1 35 ARG HB2 1 87 ARG HA 5.400 . 6.500 4.090 4.090 4.090 . 0 0 "[ ]" 1
895 1 87 ARG HA 1 87 ARG QG 3.800 . 5.300 3.147 3.147 3.147 . 0 0 "[ ]" 1
896 1 88 GLY H 1 88 GLY HA3 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
897 1 34 PHE HA 1 88 GLY H 3.100 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
898 1 87 ARG HA 1 88 GLY H 3.100 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
899 1 87 ARG HB2 1 88 GLY H 3.800 . 5.300 3.864 3.864 3.864 . 0 0 "[ ]" 1
900 1 34 PHE HB3 1 88 GLY H 5.000 . 5.300 4.974 4.974 4.974 . 0 0 "[ ]" 1
901 1 87 ARG HG2 1 88 GLY H 4.300 . 5.300 5.246 5.246 5.246 . 0 0 "[ ]" 1
902 1 82 THR MG 1 88 GLY H 5.300 . 6.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
903 1 88 GLY H 1 89 LEU H 5.000 . 5.300 4.200 4.200 4.200 . 0 0 "[ ]" 1
904 1 35 ARG HB2 1 88 GLY H 5.400 . 6.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
905 1 35 ARG HB3 1 88 GLY H 5.100 . 5.300 4.872 4.872 4.872 . 0 0 "[ ]" 1
906 1 35 ARG H 1 88 GLY H 3.700 . 5.300 2.926 2.926 2.926 . 0 0 "[ ]" 1
907 1 34 PHE H 1 88 GLY H 5.000 . 5.300 4.027 4.027 4.027 . 0 0 "[ ]" 1
908 1 82 THR MG 1 88 GLY HA2 4.900 . 5.300 3.073 3.073 3.073 . 0 0 "[ ]" 1
909 1 82 THR HA 1 89 LEU H 3.200 . 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 1
910 1 88 GLY HA2 1 89 LEU H 3.500 . 5.300 2.283 2.283 2.283 . 0 0 "[ ]" 1
911 1 88 GLY HA3 1 89 LEU H 3.600 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
912 1 89 LEU H 1 89 LEU HB2 3.000 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
913 1 89 LEU H 1 89 LEU HG 3.400 . 3.500 2.431 2.431 2.431 . 0 0 "[ ]" 1
914 1 89 LEU H 1 89 LEU HB3 4.000 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1
915 1 82 THR MG 1 89 LEU H 5.500 . 6.500 3.987 3.987 3.987 . 0 0 "[ ]" 1
916 1 89 LEU H 1 90 ALA MB 5.800 . 6.500 4.474 4.474 4.474 . 0 0 "[ ]" 1
917 1 76 PHE HD1 1 89 LEU H 3.500 . 5.300 4.232 4.232 4.232 . 0 0 "[ ]" 1
918 1 89 LEU HA 1 89 LEU HG 3.200 . 3.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
919 1 89 LEU HA 1 89 LEU HB3 3.000 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
920 1 89 LEU MD2 1 90 ALA H 5.400 . 6.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
921 1 37 LEU HG 1 90 ALA H 3.300 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
922 1 89 LEU HA 1 90 ALA H 2.600 . 2.700 2.240 2.240 2.240 . 0 0 "[ ]" 1
923 1 37 LEU MD1 1 90 ALA H 5.100 . 5.300 2.975 2.975 2.975 . 0 0 "[ ]" 1
924 1 89 LEU HG 1 90 ALA H 5.500 . 6.500 5.207 5.207 5.207 . 0 0 "[ ]" 1
925 1 34 PHE HE2 1 90 ALA H 5.500 . 6.500 5.868 5.868 5.868 . 0 0 "[ ]" 1
926 1 36 LEU HA 1 90 ALA H 4.000 . 5.300 4.259 4.259 4.259 . 0 0 "[ ]" 1
927 1 37 LEU HA 1 90 ALA H 3.600 . 5.300 4.549 4.549 4.549 . 0 0 "[ ]" 1
928 1 37 LEU MD1 1 90 ALA HA 5.000 . 5.300 2.401 2.401 2.401 . 0 0 "[ ]" 1
929 1 75 GLU H 1 91 TYR H 2.800 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
930 1 37 LEU HB3 1 91 TYR H 5.300 . 6.500 5.885 5.885 5.885 . 0 0 "[ ]" 1
931 1 91 TYR H 1 91 TYR HB2 3.700 . 5.300 2.671 2.671 2.671 . 0 0 "[ ]" 1
932 1 91 TYR H 1 91 TYR HB3 4.000 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1
933 1 91 TYR H 1 91 TYR HE2 5.400 . 6.500 4.569 4.569 4.569 . 0 0 "[ ]" 1
934 1 91 TYR H 1 91 TYR HD2 3.900 . 5.300 2.581 2.581 2.581 . 0 0 "[ ]" 1
935 1 91 TYR H 1 93 TYR HE2 4.400 . 5.300 4.365 4.365 4.365 . 0 0 "[ ]" 1
936 1 37 LEU MD1 1 91 TYR H 5.400 . 6.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
937 1 90 ALA MB 1 91 TYR H 4.200 . 5.300 1.863 1.863 1.863 . 0 0 "[ ]" 1
938 1 75 GLU HB2 1 91 TYR H 5.000 . 5.300 4.997 4.997 4.997 . 0 0 "[ ]" 1
939 1 90 ALA H 1 91 TYR H 4.000 . 5.300 4.357 4.357 4.357 . 0 0 "[ ]" 1
940 1 90 ALA HA 1 91 TYR H 2.900 . 3.500 2.734 2.734 2.734 . 0 0 "[ ]" 1
941 1 38 LEU MD1 1 91 TYR HE1 4.400 . 5.300 2.485 2.485 2.485 . 0 0 "[ ]" 1
942 1 37 LEU MD1 1 91 TYR HE1 5.200 . 5.300 4.146 4.146 4.146 . 0 0 "[ ]" 1
943 1 37 LEU MD2 1 91 TYR HE1 5.300 . 6.500 4.222 4.222 4.222 . 0 0 "[ ]" 1
944 1 91 TYR HE1 1 121 HIS H 3.800 . 5.300 4.470 4.470 4.470 . 0 0 "[ ]" 1
945 1 91 TYR HE1 1 121 HIS HB2 3.000 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
946 1 91 TYR HE1 1 125 LEU HG 4.500 . 5.300 5.157 5.157 5.157 . 0 0 "[ ]" 1
947 1 37 LEU HB3 1 91 TYR HE1 3.000 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
948 1 91 TYR HE1 1 125 LEU MD1 4.900 . 5.300 3.323 3.323 3.323 . 0 0 "[ ]" 1
949 1 91 TYR HE1 1 125 LEU MD2 5.700 . 6.500 5.211 5.211 5.211 . 0 0 "[ ]" 1
950 1 7 LEU MD1 1 91 TYR HE2 5.300 . 6.500 5.113 5.113 5.113 . 0 0 "[ ]" 1
951 1 38 LEU HG 1 91 TYR HE1 2.900 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
952 1 77 ASP HB3 1 91 TYR HE2 4.000 . 5.300 3.557 3.557 3.557 . 0 0 "[ ]" 1
953 1 77 ASP HB2 1 91 TYR HE2 2.900 . 3.500 1.919 1.919 1.919 . 0 0 "[ ]" 1
954 1 91 TYR QE 1 121 HIS HD2 3.500 . 5.300 3.844 3.844 3.844 . 0 0 "[ ]" 1
955 1 77 ASP HA 1 91 TYR HE2 3.500 . 5.300 3.324 3.324 3.324 . 0 0 "[ ]" 1
956 1 90 ALA MB 1 92 ILE H 5.500 . 6.500 5.159 5.159 5.159 . 0 0 "[ ]" 1
957 1 92 ILE H 1 92 ILE HG12 3.400 . 3.500 2.173 2.173 2.173 . 0 0 "[ ]" 1
958 1 92 ILE H 1 92 ILE HG13 3.900 . 5.300 3.715 3.715 3.715 . 0 0 "[ ]" 1
959 1 92 ILE H 1 92 ILE HB 2.600 . 2.700 2.719 2.719 2.719 0.019 1 0 "[ ]" 1
960 1 92 ILE H 1 100 ASN HD22 4.300 . 5.300 3.114 3.114 3.114 . 0 0 "[ ]" 1
961 1 36 LEU MD2 1 92 ILE H 5.000 . 5.300 3.151 3.151 3.151 . 0 0 "[ ]" 1
962 1 92 ILE HA 1 92 ILE HB 3.000 . 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 1
963 1 74 VAL HA 1 92 ILE HA 3.000 . 3.500 2.739 2.739 2.739 . 0 0 "[ ]" 1
964 1 92 ILE HA 1 92 ILE HG12 2.800 . 3.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
965 1 92 ILE HA 1 92 ILE HG13 3.800 . 5.300 3.801 3.801 3.801 . 0 0 "[ ]" 1
966 1 90 ALA MB 1 92 ILE MD 4.800 . 5.300 3.411 3.411 3.411 . 0 0 "[ ]" 1
967 1 93 TYR H 1 93 TYR HD2 2.900 . 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 1
968 1 73 GLU HA 1 93 TYR H 3.600 . 5.300 5.060 5.060 5.060 . 0 0 "[ ]" 1
969 1 73 GLU QB 1 93 TYR H 3.500 . 5.300 4.146 4.146 4.146 . 0 0 "[ ]" 1
970 1 92 ILE HA 1 93 TYR H 2.600 . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 1
971 1 93 TYR H 1 93 TYR HB2 3.200 . 3.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
972 1 92 ILE MG 1 93 TYR H 4.400 . 5.300 2.194 2.194 2.194 . 0 0 "[ ]" 1
973 1 92 ILE MD 1 93 TYR H 5.200 . 5.300 3.818 3.818 3.818 . 0 0 "[ ]" 1
974 1 92 ILE HB 1 93 TYR H 4.500 . 5.300 3.635 3.635 3.635 . 0 0 "[ ]" 1
975 1 93 TYR H 1 93 TYR HB3 3.700 . 5.300 3.797 3.797 3.797 . 0 0 "[ ]" 1
976 1 93 TYR HA 1 99 VAL MG2 4.800 . 5.300 2.831 2.831 2.831 . 0 0 "[ ]" 1
977 1 93 TYR HA 1 98 MET HA 2.600 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
978 1 93 TYR HA 1 93 TYR HB3 2.800 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
979 1 92 ILE MG 1 93 TYR HD2 5.600 . 6.500 4.565 4.565 4.565 . 0 0 "[ ]" 1
980 1 93 TYR HD1 1 98 MET ME 5.700 . 6.500 5.427 5.427 5.427 . 0 0 "[ ]" 1
981 1 93 TYR HD1 1 98 MET HB2 3.500 . 5.300 3.559 3.559 3.559 . 0 0 "[ ]" 1
982 1 93 TYR HD1 1 98 MET HA 3.500 . 5.300 2.725 2.725 2.725 . 0 0 "[ ]" 1
983 1 93 TYR HD1 1 97 LYS HB3 5.500 . 6.500 5.602 5.602 5.602 . 0 0 "[ ]" 1
984 1 93 TYR HD1 1 96 GLY HA2 4.500 . 5.300 3.847 3.847 3.847 . 0 0 "[ ]" 1
985 1 93 TYR HD1 1 98 MET H 3.300 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
986 1 93 TYR HD1 1 97 LYS HA 4.500 . 5.300 3.756 3.756 3.756 . 0 0 "[ ]" 1
987 1 92 ILE HA 1 93 TYR HD2 3.500 . 5.300 3.424 3.424 3.424 . 0 0 "[ ]" 1
988 1 93 TYR HA 1 93 TYR QD 3.500 . 5.300 2.809 2.809 2.809 . 0 0 "[ ]" 1
989 1 93 TYR HD1 1 94 ALA H 3.700 . 5.300 4.708 4.708 4.708 . 0 0 "[ ]" 1
990 1 73 GLU QB 1 93 TYR HD2 4.000 . 5.300 3.496 3.496 3.496 . 0 0 "[ ]" 1
991 1 9 LYS HG2 1 93 TYR HD2 4.700 . 5.300 5.200 5.200 5.200 . 0 0 "[ ]" 1
992 1 91 TYR HB2 1 93 TYR HE2 2.800 . 3.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
993 1 91 TYR HB3 1 93 TYR HE2 3.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
994 1 73 GLU QB 1 93 TYR HE2 5.500 . 6.500 5.331 5.331 5.331 . 0 0 "[ ]" 1
995 1 93 TYR HE1 1 98 MET HB2 2.800 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
996 1 93 TYR HE1 1 98 MET ME 5.100 . 5.300 3.741 3.741 3.741 . 0 0 "[ ]" 1
997 1 93 TYR HB3 1 93 TYR HE1 4.900 . 5.300 4.724 4.724 4.724 . 0 0 "[ ]" 1
998 1 75 GLU HB3 1 93 TYR HE2 3.000 . 3.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
999 1 91 TYR HD2 1 93 TYR HE2 4.400 . 5.300 4.104 4.104 4.104 . 0 0 "[ ]" 1
1000 1 75 GLU HA 1 93 TYR HE2 4.600 . 5.300 4.818 4.818 4.818 . 0 0 "[ ]" 1
1001 1 9 LYS HG2 1 93 TYR HE2 4.200 . 5.300 4.890 4.890 4.890 . 0 0 "[ ]" 1
1002 1 94 ALA H 1 97 LYS H 3.000 . 3.500 3.474 3.474 3.474 . 0 0 "[ ]" 1
1003 1 94 ALA H 1 99 VAL MG2 4.600 . 5.300 1.825 1.825 1.825 . 0 0 "[ ]" 1
1004 1 92 ILE MG 1 94 ALA H 5.800 . 6.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
1005 1 93 TYR HA 1 94 ALA H 2.600 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
1006 1 93 TYR HB3 1 94 ALA H 4.000 . 5.300 3.982 3.982 3.982 . 0 0 "[ ]" 1
1007 1 93 TYR HB2 1 94 ALA H 4.900 . 5.300 4.539 4.539 4.539 . 0 0 "[ ]" 1
1008 1 94 ALA H 1 97 LYS HB3 5.000 . 5.300 5.016 5.016 5.016 . 0 0 "[ ]" 1
1009 1 94 ALA H 1 98 MET HA 3.500 . 5.300 4.133 4.133 4.133 . 0 0 "[ ]" 1
1010 1 65 MET ME 1 94 ALA H 4.500 . 5.300 3.458 3.458 3.458 . 0 0 "[ ]" 1
1011 1 66 VAL MG1 1 94 ALA HA 5.800 . 6.500 5.284 5.284 5.284 . 0 0 "[ ]" 1
1012 1 72 ILE MD 1 94 ALA HA 5.900 . 6.500 4.678 4.678 4.678 . 0 0 "[ ]" 1
1013 1 72 ILE MG 1 94 ALA HA 6.000 . 6.500 3.608 3.608 3.608 . 0 0 "[ ]" 1
1014 1 69 ALA MB 1 94 ALA HA 4.500 . 5.300 2.329 2.329 2.329 . 0 0 "[ ]" 1
1015 1 94 ALA H 1 95 ASP H 4.000 . 5.300 4.432 4.432 4.432 . 0 0 "[ ]" 1
1016 1 95 ASP H 1 96 GLY H 2.700 . 3.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
1017 1 71 LYS H 1 95 ASP H 3.600 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
1018 1 95 ASP H 1 97 LYS H 3.500 . 5.300 3.915 3.915 3.915 . 0 0 "[ ]" 1
1019 1 94 ALA HA 1 95 ASP H 2.600 . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 1
1020 1 94 ALA MB 1 95 ASP H 4.400 . 5.300 3.364 3.364 3.364 . 0 0 "[ ]" 1
1021 1 69 ALA MB 1 95 ASP H 4.600 . 5.300 2.379 2.379 2.379 . 0 0 "[ ]" 1
1022 1 71 LYS HB2 1 95 ASP H 3.600 . 5.300 3.291 3.291 3.291 . 0 0 "[ ]" 1
1023 1 71 LYS HB3 1 95 ASP H 4.200 . 5.300 4.816 4.816 4.816 . 0 0 "[ ]" 1
1024 1 95 ASP H 1 95 ASP HA 2.900 . 3.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
1025 1 72 ILE HA 1 95 ASP H 3.700 . 5.300 3.337 3.337 3.337 . 0 0 "[ ]" 1
1026 1 95 ASP HA 1 95 ASP HB3 2.700 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
1027 1 96 GLY H 1 97 LYS H 3.000 . 3.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
1028 1 96 GLY H 1 96 GLY HA3 2.900 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
1029 1 96 GLY H 1 96 GLY HA2 2.800 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
1030 1 95 ASP HB2 1 96 GLY H 4.800 . 5.300 4.210 4.210 4.210 . 0 0 "[ ]" 1
1031 1 95 ASP HA 1 96 GLY H 3.000 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
1032 1 94 ALA HA 1 96 GLY H 4.500 . 5.300 3.941 3.941 3.941 . 0 0 "[ ]" 1
1033 1 71 LYS H 1 96 GLY H 5.600 2.800 6.500 5.567 5.567 5.567 . 0 0 "[ ]" 1
1034 1 71 LYS HB2 1 96 GLY H 4.300 . 5.300 3.652 3.652 3.652 . 0 0 "[ ]" 1
1035 1 93 TYR HD1 1 96 GLY H 5.000 . 5.300 5.044 5.044 5.044 . 0 0 "[ ]" 1
1036 1 95 ASP HB2 1 97 LYS H 3.400 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
1037 1 97 LYS H 1 97 LYS HB2 2.700 . 3.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
1038 1 97 LYS H 1 97 LYS HG3 2.800 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
1039 1 97 LYS H 1 97 LYS HG2 3.900 . 5.300 2.388 2.388 2.388 . 0 0 "[ ]" 1
1040 1 96 GLY HA3 1 97 LYS H 2.900 . 3.500 3.389 3.389 3.389 . 0 0 "[ ]" 1
1041 1 96 GLY HA2 1 97 LYS H 3.100 . 3.500 3.193 3.193 3.193 . 0 0 "[ ]" 1
1042 1 94 ALA HA 1 97 LYS H 4.000 . 5.300 4.297 4.297 4.297 . 0 0 "[ ]" 1
1043 1 95 ASP HA 1 97 LYS H 3.800 . 5.300 4.227 4.227 4.227 . 0 0 "[ ]" 1
1044 1 93 TYR HA 1 97 LYS H 4.500 . 5.300 3.909 3.909 3.909 . 0 0 "[ ]" 1
1045 1 97 LYS H 1 97 LYS QE 4.200 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
1046 1 97 LYS H 1 97 LYS HB3 4.000 . 5.300 3.753 3.753 3.753 . 0 0 "[ ]" 1
1047 1 97 LYS HA 1 97 LYS HB3 2.600 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
1048 1 97 LYS HA 1 98 MET H 3.000 . 3.500 2.212 2.212 2.212 . 0 0 "[ ]" 1
1049 1 98 MET H 1 98 MET HB3 4.200 . 5.300 2.562 2.562 2.562 . 0 0 "[ ]" 1
1050 1 98 MET H 1 98 MET HB2 2.700 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
1051 1 98 MET H 1 98 MET ME 5.400 . 6.500 5.354 5.354 5.354 . 0 0 "[ ]" 1
1052 1 97 LYS HB3 1 98 MET H 3.000 . 3.500 3.287 3.287 3.287 . 0 0 "[ ]" 1
1053 1 98 MET H 1 101 GLU H 5.000 . 5.300 4.870 4.870 4.870 . 0 0 "[ ]" 1
1054 1 97 LYS QG 1 98 MET H 5.000 . 5.300 4.620 4.620 4.620 . 0 0 "[ ]" 1
1055 1 93 TYR HE1 1 98 MET H 3.600 . 5.300 3.845 3.845 3.845 . 0 0 "[ ]" 1
1056 1 98 MET HA 1 98 MET ME 5.600 . 6.500 4.322 4.322 4.322 . 0 0 "[ ]" 1
1057 1 98 MET HA 1 98 MET HB2 2.800 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
1058 1 98 MET HA 1 99 VAL HB 4.400 . 5.300 4.595 4.595 4.595 . 0 0 "[ ]" 1
1059 1 98 MET HA 1 101 GLU HB3 5.200 . 6.500 4.971 4.971 4.971 . 0 0 "[ ]" 1
1060 1 98 MET HA 1 101 GLU HB2 5.600 . 6.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
1061 1 99 VAL H 1 99 VAL HA 3.000 . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
1062 1 98 MET HA 1 99 VAL H 2.900 . 3.500 2.254 2.254 2.254 . 0 0 "[ ]" 1
1063 1 93 TYR HA 1 99 VAL H 3.200 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
1064 1 99 VAL H 1 102 ALA H 5.000 . 5.300 4.857 4.857 4.857 . 0 0 "[ ]" 1
1065 1 98 MET H 1 99 VAL H 4.000 . 5.300 4.283 4.283 4.283 . 0 0 "[ ]" 1
1066 1 99 VAL H 1 100 ASN H 3.000 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
1067 1 99 VAL H 1 101 GLU H 3.800 . 5.300 4.401 4.401 4.401 . 0 0 "[ ]" 1
1068 1 98 MET HB2 1 99 VAL H 4.800 . 5.300 4.559 4.559 4.559 . 0 0 "[ ]" 1
1069 1 98 MET HB3 1 99 VAL H 4.800 . 5.300 4.445 4.445 4.445 . 0 0 "[ ]" 1
1070 1 99 VAL H 1 99 VAL HB 3.000 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
1071 1 99 VAL H 1 99 VAL MG2 4.000 . 5.300 2.163 2.163 2.163 . 0 0 "[ ]" 1
1072 1 92 ILE MG 1 99 VAL H 5.300 . 6.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
1073 1 94 ALA MB 1 99 VAL H 6.000 . 6.500 3.961 3.961 3.961 . 0 0 "[ ]" 1
1074 1 65 MET ME 1 99 VAL HA 4.300 . 5.300 2.866 2.866 2.866 . 0 0 "[ ]" 1
1075 1 99 VAL HA 1 102 ALA H 4.000 . 5.300 3.502 3.502 3.502 . 0 0 "[ ]" 1
1076 1 99 VAL HA 1 99 VAL HB 2.600 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1077 1 99 VAL HA 1 102 ALA MB 4.400 . 5.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
1078 1 99 VAL HA 1 100 ASN H 4.000 . 5.300 3.569 3.569 3.569 . 0 0 "[ ]" 1
1079 1 98 MET HA 1 100 ASN H 3.700 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1
1080 1 100 ASN H 1 102 ALA H 3.900 . 5.300 3.859 3.859 3.859 . 0 0 "[ ]" 1
1081 1 92 ILE H 1 100 ASN H 3.300 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
1082 1 36 LEU MD1 1 100 ASN H 5.000 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1
1083 1 92 ILE HB 1 100 ASN H 4.000 . 5.300 3.908 3.908 3.908 . 0 0 "[ ]" 1
1084 1 36 LEU MD2 1 100 ASN H 5.000 . 5.300 3.912 3.912 3.912 . 0 0 "[ ]" 1
1085 1 99 VAL HB 1 100 ASN H 2.800 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
1086 1 99 VAL MG2 1 100 ASN H 4.700 . 5.300 3.805 3.805 3.805 . 0 0 "[ ]" 1
1087 1 99 VAL MG1 1 100 ASN H 4.700 . 5.300 3.434 3.434 3.434 . 0 0 "[ ]" 1
1088 1 100 ASN H 1 100 ASN HB3 4.000 . 5.300 3.613 3.613 3.613 . 0 0 "[ ]" 1
1089 1 100 ASN H 1 100 ASN HB2 3.200 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
1090 1 100 ASN H 1 100 ASN HA 2.900 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
1091 1 100 ASN H 1 101 GLU H 3.000 . 3.500 2.738 2.738 2.738 . 0 0 "[ ]" 1
1092 1 98 MET HB2 1 100 ASN H 5.000 . 5.300 5.048 5.048 5.048 . 0 0 "[ ]" 1
1093 1 98 MET HB3 1 100 ASN H 4.000 . 5.300 4.482 4.482 4.482 . 0 0 "[ ]" 1
1094 1 100 ASN HA 1 100 ASN HB3 2.700 . 3.500 2.415 2.415 2.415 . 0 0 "[ ]" 1
1095 1 100 ASN HA 1 103 LEU HB2 3.600 . 5.300 3.147 3.147 3.147 . 0 0 "[ ]" 1
1096 1 36 LEU HB3 1 100 ASN HD22 4.300 . 5.300 2.823 2.823 2.823 . 0 0 "[ ]" 1
1097 1 36 LEU HB2 1 100 ASN HD22 4.600 . 5.300 4.368 4.368 4.368 . 0 0 "[ ]" 1
1098 1 100 ASN HB3 1 100 ASN HD22 3.700 . 5.300 3.605 3.605 3.605 . 0 0 "[ ]" 1
1099 1 37 LEU HB3 1 100 ASN HD22 4.900 . 5.300 4.732 4.732 4.732 . 0 0 "[ ]" 1
1100 1 36 LEU MD2 1 100 ASN HD22 5.000 . 5.300 2.735 2.735 2.735 . 0 0 "[ ]" 1
1101 1 36 LEU MD1 1 100 ASN HD22 5.400 . 6.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
1102 1 39 VAL MG1 1 100 ASN HD22 6.000 . 6.500 4.770 4.770 4.770 . 0 0 "[ ]" 1
1103 1 36 LEU HB3 1 100 ASN HD21 4.500 . 5.300 3.255 3.255 3.255 . 0 0 "[ ]" 1
1104 1 100 ASN HB3 1 100 ASN HD21 3.100 . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 1
1105 1 100 ASN HB2 1 100 ASN HD21 3.500 . 5.300 2.841 2.841 2.841 . 0 0 "[ ]" 1
1106 1 37 LEU HB3 1 100 ASN HD21 4.600 . 5.300 4.270 4.270 4.270 . 0 0 "[ ]" 1
1107 1 39 VAL MG1 1 100 ASN HD21 4.800 . 5.300 4.240 4.240 4.240 . 0 0 "[ ]" 1
1108 1 36 LEU MD2 1 100 ASN HD21 4.800 . 5.300 3.935 3.935 3.935 . 0 0 "[ ]" 1
1109 1 101 GLU H 1 102 ALA MB 5.900 . 6.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
1110 1 101 GLU H 1 125 LEU MD1 6.000 . 6.500 5.204 5.204 5.204 . 0 0 "[ ]" 1
1111 1 101 GLU H 1 101 GLU HB2 2.800 . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
1112 1 98 MET ME 1 101 GLU H 5.700 . 6.500 3.780 3.780 3.780 . 0 0 "[ ]" 1
1113 1 101 GLU H 1 125 LEU MD2 4.400 . 5.300 3.727 3.727 3.727 . 0 0 "[ ]" 1
1114 1 101 GLU H 1 101 GLU HB3 3.100 . 3.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
1115 1 100 ASN HB2 1 101 GLU H 3.200 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1
1116 1 100 ASN HB3 1 101 GLU H 3.800 . 5.300 3.710 3.710 3.710 . 0 0 "[ ]" 1
1117 1 100 ASN HA 1 101 GLU H 3.600 . 5.300 3.572 3.572 3.572 . 0 0 "[ ]" 1
1118 1 101 GLU H 1 101 GLU HA 3.000 . 3.500 2.876 2.876 2.876 . 0 0 "[ ]" 1
1119 1 101 GLU H 1 102 ALA H 2.700 . 3.500 2.615 2.615 2.615 . 0 0 "[ ]" 1
1120 1 101 GLU H 1 103 LEU H 3.900 . 5.300 4.611 4.611 4.611 . 0 0 "[ ]" 1
1121 1 101 GLU HA 1 125 LEU MD2 3.500 . 5.300 2.418 2.418 2.418 . 0 0 "[ ]" 1
1122 1 101 GLU HA 1 101 GLU HB2 2.500 . 2.700 2.677 2.677 2.677 . 0 0 "[ ]" 1
1123 1 101 GLU HA 1 104 VAL HB 2.700 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
1124 1 101 GLU HA 1 104 VAL QG 4.600 . 5.300 2.924 2.924 2.924 . 0 0 "[ ]" 1
1125 1 101 GLU HA 1 101 GLU HB3 2.800 . 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 1
1126 1 101 GLU HB2 1 102 ALA H 3.900 . 5.300 3.937 3.937 3.937 . 0 0 "[ ]" 1
1127 1 102 ALA H 1 125 LEU MD2 6.000 . 6.500 4.944 4.944 4.944 . 0 0 "[ ]" 1
1128 1 101 GLU HB3 1 102 ALA H 2.800 . 3.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
1129 1 101 GLU HA 1 102 ALA H 3.000 . 3.500 3.415 3.415 3.415 . 0 0 "[ ]" 1
1130 1 102 ALA H 1 102 ALA HA 2.700 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
1131 1 102 ALA H 1 103 LEU HG 4.900 . 5.300 4.893 4.893 4.893 . 0 0 "[ ]" 1
1132 1 61 PHE HE1 1 102 ALA H 5.500 . 6.300 5.046 5.046 5.046 . 0 0 "[ ]" 1
1133 1 102 ALA H 1 104 VAL HB 4.100 . 5.300 5.042 5.042 5.042 . 0 0 "[ ]" 1
1134 1 99 VAL MG1 1 102 ALA H 5.600 . 6.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
1135 1 102 ALA HA 1 105 ARG HB3 2.700 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
1136 1 103 LEU H 1 103 LEU HA 2.800 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
1137 1 103 LEU H 1 103 LEU QD 4.200 . 5.300 3.028 3.028 3.028 . 0 0 "[ ]" 1
1138 1 99 VAL HA 1 103 LEU H 3.900 . 5.300 4.199 4.199 4.199 . 0 0 "[ ]" 1
1139 1 103 LEU H 1 103 LEU HB2 2.300 . 2.700 2.318 2.318 2.318 . 0 0 "[ ]" 1
1140 1 103 LEU H 1 103 LEU HG 2.600 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
1141 1 102 ALA HA 1 103 LEU H 3.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
1142 1 103 LEU H 1 104 VAL H 2.700 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
1143 1 102 ALA H 1 103 LEU H 2.800 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1
1144 1 103 LEU H 1 104 VAL HB 5.000 . 5.300 5.106 5.106 5.106 . 0 0 "[ ]" 1
1145 1 101 GLU HB2 1 103 LEU H 5.900 . 6.500 6.193 6.193 6.193 . 0 0 "[ ]" 1
1146 1 102 ALA MB 1 103 LEU H 3.500 . 5.300 2.374 2.374 2.374 . 0 0 "[ ]" 1
1147 1 100 ASN HA 1 103 LEU H 3.600 . 5.300 3.567 3.567 3.567 . 0 0 "[ ]" 1
1148 1 103 LEU HA 1 103 LEU HG 2.700 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
1149 1 103 LEU HA 1 103 LEU HB2 2.800 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
1150 1 103 LEU HA 1 106 GLN HB3 5.000 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1
1151 1 103 LEU HA 1 103 LEU MD1 3.900 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
1152 1 103 LEU HA 1 108 LEU HB2 3.300 . 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 1
1153 1 103 LEU HA 1 108 LEU MD1 4.500 . 5.300 3.235 3.235 3.235 . 0 0 "[ ]" 1
1154 1 103 LEU HA 1 106 GLN HB2 3.000 . 3.500 2.546 2.546 2.546 . 0 0 "[ ]" 1
1155 1 103 LEU HB2 1 104 VAL H 2.700 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
1156 1 103 LEU HG 1 104 VAL H 3.500 . 5.300 4.632 4.632 4.632 . 0 0 "[ ]" 1
1157 1 103 LEU HB3 1 104 VAL H 3.600 . 5.300 3.680 3.680 3.680 . 0 0 "[ ]" 1
1158 1 101 GLU HA 1 104 VAL H 3.500 . 5.300 3.644 3.644 3.644 . 0 0 "[ ]" 1
1159 1 104 VAL H 1 104 VAL HB 2.500 . 2.700 2.651 2.651 2.651 . 0 0 "[ ]" 1
1160 1 104 VAL H 1 104 VAL MG2 3.800 . 5.300 1.958 1.958 1.958 . 0 0 "[ ]" 1
1161 1 104 VAL H 1 104 VAL MG1 4.200 . 5.300 3.786 3.786 3.786 . 0 0 "[ ]" 1
1162 1 103 LEU HA 1 104 VAL H 3.600 . 5.300 3.513 3.513 3.513 . 0 0 "[ ]" 1
1163 1 104 VAL HA 1 104 VAL HB 3.000 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
1164 1 100 ASN HA 1 104 VAL H 5.000 . 5.300 4.184 4.184 4.184 . 0 0 "[ ]" 1
1165 1 102 ALA HA 1 104 VAL H 4.500 . 5.300 4.183 4.183 4.183 . 0 0 "[ ]" 1
1166 1 103 LEU MD1 1 104 VAL H 5.500 . 6.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
1167 1 39 VAL MG1 1 104 VAL H 5.000 . 5.300 4.280 4.280 4.280 . 0 0 "[ ]" 1
1168 1 102 ALA H 1 104 VAL H 3.500 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1
1169 1 104 VAL H 1 105 ARG H 2.700 . 3.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
1170 1 104 VAL H 1 106 GLN H 4.500 . 5.300 3.643 3.643 3.643 . 0 0 "[ ]" 1
1171 1 39 VAL MG1 1 104 VAL HA 5.900 . 6.500 4.562 4.562 4.562 . 0 0 "[ ]" 1
1172 1 105 ARG H 1 106 GLN H 2.900 . 3.500 2.561 2.561 2.561 . 0 0 "[ ]" 1
1173 1 103 LEU H 1 105 ARG H 4.500 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1
1174 1 105 ARG H 1 107 GLY H 3.700 . 5.300 4.148 4.148 4.148 . 0 0 "[ ]" 1
1175 1 105 ARG H 1 105 ARG HB3 2.600 . 2.700 2.594 2.594 2.594 . 0 0 "[ ]" 1
1176 1 104 VAL HB 1 105 ARG H 2.600 . 2.700 2.508 2.508 2.508 . 0 0 "[ ]" 1
1177 1 104 VAL MG2 1 105 ARG H 4.600 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
1178 1 105 ARG H 1 106 GLN HB2 5.000 . 5.300 4.410 4.410 4.410 . 0 0 "[ ]" 1
1179 1 105 ARG H 1 105 ARG HA 2.800 . 3.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
1180 1 102 ALA HA 1 105 ARG H 3.000 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
1181 1 101 GLU HA 1 105 ARG H 3.900 . 5.300 3.706 3.706 3.706 . 0 0 "[ ]" 1
1182 1 103 LEU HB2 1 105 ARG H 5.000 . 5.300 5.292 5.292 5.292 . 0 0 "[ ]" 1
1183 1 105 ARG H 1 106 GLN HA 5.500 . 6.500 5.170 5.170 5.170 . 0 0 "[ ]" 1
1184 1 104 VAL HA 1 105 ARG H 4.000 . 5.300 3.563 3.563 3.563 . 0 0 "[ ]" 1
1185 1 105 ARG H 1 128 SER QB 5.000 . 5.300 3.186 3.186 3.186 . 0 0 "[ ]" 1
1186 1 106 GLN H 1 106 GLN HB3 3.600 . 5.300 3.490 3.490 3.490 . 0 0 "[ ]" 1
1187 1 105 ARG HB3 1 106 GLN H 3.700 . 5.300 3.308 3.308 3.308 . 0 0 "[ ]" 1
1188 1 106 GLN H 1 106 GLN HB2 2.700 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
1189 1 106 GLN H 1 106 GLN QG 4.000 . 5.300 3.212 3.212 3.212 . 0 0 "[ ]" 1
1190 1 103 LEU HA 1 106 GLN H 3.900 . 5.300 3.623 3.623 3.623 . 0 0 "[ ]" 1
1191 1 105 ARG HA 1 106 GLN H 3.800 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1
1192 1 106 GLN H 1 108 LEU H 3.700 . 5.300 3.648 3.648 3.648 . 0 0 "[ ]" 1
1193 1 106 GLN HA 1 106 GLN HB3 2.900 . 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 1
1194 1 105 ARG HB3 1 106 GLN HA 4.000 . 5.300 4.417 4.417 4.417 . 0 0 "[ ]" 1
1195 1 107 GLY H 1 109 ALA H 3.500 . 5.300 3.737 3.737 3.737 . 0 0 "[ ]" 1
1196 1 106 GLN H 1 107 GLY H 2.800 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
1197 1 107 GLY H 1 108 LEU H 2.700 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1198 1 107 GLY H 1 107 GLY HA3 2.900 . 3.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
1199 1 107 GLY H 1 107 GLY HA2 2.700 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
1200 1 105 ARG HB3 1 107 GLY H 3.600 . 5.300 5.166 5.166 5.166 . 0 0 "[ ]" 1
1201 1 104 VAL MG1 1 107 GLY H 5.400 . 6.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
1202 1 106 GLN HB2 1 107 GLY H 3.600 . 5.300 3.382 3.382 3.382 . 0 0 "[ ]" 1
1203 1 107 GLY H 1 132 ALA MB 4.300 . 5.300 2.933 2.933 2.933 . 0 0 "[ ]" 1
1204 1 107 GLY H 1 108 LEU HB2 5.000 . 5.300 4.775 4.775 4.775 . 0 0 "[ ]" 1
1205 1 107 GLY HA3 1 138 ASN HB2 3.300 . 3.500 3.238 3.238 3.238 . 0 0 "[ ]" 1
1206 1 108 LEU H 1 109 ALA H 2.500 . 2.700 2.036 2.036 2.036 . 0 0 "[ ]" 1
1207 1 108 LEU H 1 108 LEU HG 2.900 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
1208 1 108 LEU H 1 108 LEU HB2 3.000 . 3.500 2.734 2.734 2.734 . 0 0 "[ ]" 1
1209 1 108 LEU H 1 108 LEU HB3 3.600 . 5.300 3.822 3.822 3.822 . 0 0 "[ ]" 1
1210 1 103 LEU HA 1 108 LEU H 3.800 . 5.300 4.063 4.063 4.063 . 0 0 "[ ]" 1
1211 1 107 GLY HA3 1 108 LEU H 3.500 . 5.300 3.527 3.527 3.527 . 0 0 "[ ]" 1
1212 1 108 LEU H 1 108 LEU MD1 5.000 . 5.300 3.767 3.767 3.767 . 0 0 "[ ]" 1
1213 1 108 LEU H 1 108 LEU MD2 4.600 . 5.300 3.723 3.723 3.723 . 0 0 "[ ]" 1
1214 1 108 LEU HA 1 108 LEU MD2 4.200 . 5.300 2.287 2.287 2.287 . 0 0 "[ ]" 1
1215 1 108 LEU HA 1 108 LEU HG 3.500 . 5.300 3.018 3.018 3.018 . 0 0 "[ ]" 1
1216 1 108 LEU HA 1 109 ALA H 3.200 . 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 1
1217 1 104 VAL HA 1 109 ALA H 3.500 . 5.300 3.042 3.042 3.042 . 0 0 "[ ]" 1
1218 1 108 LEU HG 1 109 ALA H 4.300 . 5.300 4.364 4.364 4.364 . 0 0 "[ ]" 1
1219 1 109 ALA H 1 139 ILE MD 4.800 . 5.300 3.815 3.815 3.815 . 0 0 "[ ]" 1
1220 1 109 ALA H 1 139 ILE HG12 4.600 . 5.300 5.162 5.162 5.162 . 0 0 "[ ]" 1
1221 1 108 LEU MD2 1 109 ALA H 5.500 . 6.500 4.723 4.723 4.723 . 0 0 "[ ]" 1
1222 1 103 LEU HA 1 109 ALA H 5.400 . 6.500 5.071 5.071 5.071 . 0 0 "[ ]" 1
1223 1 108 LEU HB3 1 109 ALA H 5.400 . 6.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
1224 1 41 THR MG 1 109 ALA HA 5.200 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
1225 1 110 LYS H 1 139 ILE MD 6.000 . 6.500 5.067 5.067 5.067 . 0 0 "[ ]" 1
1226 1 110 LYS H 1 110 LYS QB 2.800 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
1227 1 109 ALA MB 1 110 LYS H 4.000 . 5.300 2.909 2.909 2.909 . 0 0 "[ ]" 1
1228 1 109 ALA HA 1 110 LYS H 3.000 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
1229 1 40 ASP HB2 1 110 LYS H 3.200 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
1230 1 40 ASP HB3 1 110 LYS H 4.000 . 5.300 3.628 3.628 3.628 . 0 0 "[ ]" 1
1231 1 40 ASP H 1 110 LYS H 3.300 . 3.500 3.203 3.203 3.203 . 0 0 "[ ]" 1
1232 1 110 LYS HA 1 110 LYS QB 2.500 . 2.700 2.358 2.358 2.358 . 0 0 "[ ]" 1
1233 1 110 LYS H 1 111 VAL H 4.600 . 5.300 4.564 4.564 4.564 . 0 0 "[ ]" 1
1234 1 110 LYS HA 1 111 VAL H 2.800 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1
1235 1 110 LYS QB 1 111 VAL H 3.300 . 3.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
1236 1 111 VAL H 1 111 VAL HB 2.600 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
1237 1 111 VAL H 1 111 VAL MG2 4.000 . 5.300 2.089 2.089 2.089 . 0 0 "[ ]" 1
1238 1 111 VAL H 1 111 VAL MG1 4.000 . 5.300 3.764 3.764 3.764 . 0 0 "[ ]" 1
1239 1 39 VAL HA 1 112 ALA H 3.100 . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
1240 1 111 VAL HA 1 112 ALA H 3.200 . 3.500 2.189 2.189 2.189 . 0 0 "[ ]" 1
1241 1 111 VAL HB 1 112 ALA H 3.600 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1
1242 1 112 ALA H 1 112 ALA MB 3.000 . 3.500 2.098 2.098 2.098 . 0 0 "[ ]" 1
1243 1 39 VAL H 1 112 ALA H 4.500 . 5.300 3.261 3.261 3.261 . 0 0 "[ ]" 1
1244 1 111 VAL H 1 112 ALA H 4.600 . 5.300 4.548 4.548 4.548 . 0 0 "[ ]" 1
1245 1 112 ALA H 1 114 VAL MG2 5.400 . 6.500 5.166 5.166 5.166 . 0 0 "[ ]" 1
1246 1 39 VAL MG1 1 112 ALA H 5.000 . 5.300 4.180 4.180 4.180 . 0 0 "[ ]" 1
1247 1 39 VAL HB 1 112 ALA H 5.000 . 5.300 4.985 4.985 4.985 . 0 0 "[ ]" 1
1248 1 38 LEU HA 1 112 ALA H 3.600 . 5.300 3.075 3.075 3.075 . 0 0 "[ ]" 1
1249 1 112 ALA HA 1 113 TYR H 2.500 . 2.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
1250 1 113 TYR H 1 113 TYR HA 3.000 . 3.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
1251 1 113 TYR H 1 113 TYR HB3 2.900 . 3.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
1252 1 113 TYR H 1 113 TYR HB2 2.900 . 3.500 2.165 2.165 2.165 . 0 0 "[ ]" 1
1253 1 113 TYR H 1 114 VAL MG2 6.000 . 6.500 5.193 5.193 5.193 . 0 0 "[ ]" 1
1254 1 113 TYR H 1 114 VAL H 4.800 . 5.300 4.681 4.681 4.681 . 0 0 "[ ]" 1
1255 1 112 ALA MB 1 113 TYR H 3.800 . 5.300 2.619 2.619 2.619 . 0 0 "[ ]" 1
1256 1 113 TYR H 1 113 TYR HD1 5.000 . 5.300 2.751 2.751 2.751 . 0 0 "[ ]" 1
1257 1 113 TYR HB3 1 113 TYR HD2 3.500 . 5.300 2.422 2.422 2.422 . 0 0 "[ ]" 1
1258 1 113 TYR HB2 1 113 TYR HD1 3.700 . 5.300 2.472 2.472 2.472 . 0 0 "[ ]" 1
1259 1 113 TYR HA 1 113 TYR HD2 2.900 . 3.500 3.245 3.245 3.245 . 0 0 "[ ]" 1
1260 1 113 TYR HA 1 113 TYR HE2 5.300 . 6.500 4.847 4.847 4.847 . 0 0 "[ ]" 1
1261 1 114 VAL H 1 114 VAL MG2 3.900 . 5.300 2.598 2.598 2.598 . 0 0 "[ ]" 1
1262 1 114 VAL H 1 114 VAL HB 2.600 . 2.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
1263 1 113 TYR HB3 1 114 VAL H 4.000 . 5.300 3.120 3.120 3.120 . 0 0 "[ ]" 1
1264 1 113 TYR HB2 1 114 VAL H 4.600 . 5.300 4.277 4.277 4.277 . 0 0 "[ ]" 1
1265 1 113 TYR HA 1 114 VAL H 2.600 . 2.700 2.284 2.284 2.284 . 0 0 "[ ]" 1
1266 1 38 LEU MD2 1 114 VAL HA 4.100 . 5.300 2.702 2.702 2.702 . 0 0 "[ ]" 1
1267 1 114 VAL HA 1 114 VAL HB 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1268 1 111 VAL MG1 1 114 VAL MG2 6.000 . 6.500 2.678 2.678 2.678 . 0 0 "[ ]" 1
1269 1 114 VAL MG1 1 115 TYR H 4.300 . 5.300 2.818 2.818 2.818 . 0 0 "[ ]" 1
1270 1 114 VAL HB 1 115 TYR H 3.900 . 5.300 4.349 4.349 4.349 . 0 0 "[ ]" 1
1271 1 115 TYR H 1 115 TYR HB2 2.800 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
1272 1 115 TYR H 1 115 TYR HB3 3.700 . 5.300 3.726 3.726 3.726 . 0 0 "[ ]" 1
1273 1 114 VAL HA 1 115 TYR H 2.400 . 2.700 2.195 2.195 2.195 . 0 0 "[ ]" 1
1274 1 114 VAL H 1 115 TYR H 4.600 . 5.300 4.400 4.400 4.400 . 0 0 "[ ]" 1
1275 1 115 TYR H 1 116 LYS H 4.500 . 5.300 4.215 4.215 4.215 . 0 0 "[ ]" 1
1276 1 38 LEU MD2 1 115 TYR H 5.000 . 5.300 3.301 3.301 3.301 . 0 0 "[ ]" 1
1277 1 115 TYR HA 1 115 TYR HB3 2.800 . 3.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
1278 1 115 TYR HA 1 115 TYR HD1 4.000 . 5.300 2.551 2.551 2.551 . 0 0 "[ ]" 1
1279 1 115 TYR H 1 115 TYR HD2 5.300 . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
1280 1 113 TYR HB3 1 115 TYR HD1 5.000 . 5.300 5.718 5.718 5.718 0.418 1 0 "[ ]" 1
1281 1 113 TYR HB3 1 115 TYR HE1 3.700 . 5.300 5.437 5.437 5.437 0.137 1 0 "[ ]" 1
1282 1 115 TYR HA 1 116 LYS H 2.700 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
1283 1 115 TYR HD2 1 116 LYS H 5.500 . 6.500 6.100 6.100 6.100 . 0 0 "[ ]" 1
1284 1 115 TYR HB3 1 116 LYS H 3.800 . 5.300 3.576 3.576 3.576 . 0 0 "[ ]" 1
1285 1 116 LYS H 1 116 LYS HG2 3.100 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1286 1 116 LYS H 1 116 LYS HG3 3.500 . 5.300 2.037 2.037 2.037 . 0 0 "[ ]" 1
1287 1 116 LYS H 1 116 LYS QB 3.600 . 5.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
1288 1 116 LYS H 1 116 LYS QD 4.600 . 5.300 3.876 3.876 3.876 . 0 0 "[ ]" 1
1289 1 116 LYS H 1 116 LYS HA 3.000 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
1290 1 114 VAL MG1 1 116 LYS H 5.700 . 6.500 3.915 3.915 3.915 . 0 0 "[ ]" 1
1291 1 118 ASN H 1 118 ASN HB2 2.600 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
1292 1 116 LYS QB 1 118 ASN H 5.000 . 5.300 4.293 4.293 4.293 . 0 0 "[ ]" 1
1293 1 116 LYS HA 1 118 ASN H 2.800 . 3.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
1294 1 117 PRO QD 1 118 ASN H 5.800 . 6.500 2.367 2.367 2.367 . 0 0 "[ ]" 1
1295 1 118 ASN HA 1 118 ASN HB2 2.700 . 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
1296 1 37 LEU MD1 1 118 ASN HA 5.300 . 6.500 4.413 4.413 4.413 . 0 0 "[ ]" 1
1297 1 37 LEU MD2 1 118 ASN HA 5.700 . 6.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
1298 1 89 LEU QD 1 118 ASN HD21 5.600 . 6.500 3.626 3.626 3.626 . 0 0 "[ ]" 1
1299 1 37 LEU MD1 1 118 ASN HD21 5.200 . 5.300 3.673 3.673 3.673 . 0 0 "[ ]" 1
1300 1 37 LEU MD2 1 118 ASN HD21 4.600 . 5.300 3.460 3.460 3.460 . 0 0 "[ ]" 1
1301 1 80 GLN HB3 1 118 ASN HD21 5.600 . 6.500 5.857 5.857 5.857 . 0 0 "[ ]" 1
1302 1 77 ASP HB2 1 118 ASN HD21 5.400 . 6.500 6.163 6.163 6.163 . 0 0 "[ ]" 1
1303 1 118 ASN HB2 1 118 ASN HD21 2.900 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
1304 1 89 LEU MD1 1 118 ASN HD22 5.200 . 5.300 3.264 3.264 3.264 . 0 0 "[ ]" 1
1305 1 37 LEU MD1 1 118 ASN HD22 6.000 . 6.500 2.772 2.772 2.772 . 0 0 "[ ]" 1
1306 1 37 LEU MD2 1 118 ASN HD22 5.800 . 6.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
1307 1 80 GLN HB3 1 118 ASN HD22 4.400 . 5.300 5.145 5.145 5.145 . 0 0 "[ ]" 1
1308 1 80 GLN QG 1 118 ASN HD22 5.500 . 6.500 4.988 4.988 4.988 . 0 0 "[ ]" 1
1309 1 118 ASN HB2 1 118 ASN HD22 3.400 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
1310 1 119 ASN H 1 120 THR HA 3.900 . 5.300 4.124 4.124 4.124 . 0 0 "[ ]" 1
1311 1 116 LYS HA 1 119 ASN H 3.900 . 5.300 4.651 4.651 4.651 . 0 0 "[ ]" 1
1312 1 118 ASN HA 1 119 ASN H 2.700 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
1313 1 119 ASN H 1 119 ASN HB3 3.200 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
1314 1 118 ASN H 1 119 ASN H 3.800 . 5.300 4.244 4.244 4.244 . 0 0 "[ ]" 1
1315 1 114 VAL MG1 1 119 ASN HA 4.600 . 5.300 3.344 3.344 3.344 . 0 0 "[ ]" 1
1316 1 38 LEU MD2 1 119 ASN HA 4.600 . 5.300 3.654 3.654 3.654 . 0 0 "[ ]" 1
1317 1 38 LEU MD1 1 119 ASN HA 4.500 . 5.300 2.649 2.649 2.649 . 0 0 "[ ]" 1
1318 1 119 ASN HB3 1 119 ASN HD22 3.600 . 5.300 3.747 3.747 3.747 . 0 0 "[ ]" 1
1319 1 119 ASN HB2 1 119 ASN HD22 3.500 . 5.300 3.618 3.618 3.618 . 0 0 "[ ]" 1
1320 1 116 LYS HG2 1 119 ASN HD22 4.900 . 5.300 3.731 3.731 3.731 . 0 0 "[ ]" 1
1321 1 114 VAL QG 1 119 ASN HD22 4.500 . 5.300 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
1322 1 119 ASN HB3 1 119 ASN HD21 3.300 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
1323 1 119 ASN HB2 1 119 ASN HD21 3.200 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
1324 1 114 VAL MG1 1 119 ASN HD21 5.400 . 6.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
1325 1 116 LYS HG2 1 119 ASN HD21 4.700 . 5.300 2.748 2.748 2.748 . 0 0 "[ ]" 1
1326 1 114 VAL QG 1 119 ASN HD21 4.000 . 5.300 2.896 2.896 2.896 . 0 0 "[ ]" 1
1327 1 120 THR H 1 120 THR HA 3.000 . 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
1328 1 77 ASP HA 1 120 THR H 6.000 . 6.500 6.167 6.167 6.167 . 0 0 "[ ]" 1
1329 1 119 ASN HA 1 120 THR H 3.600 . 5.300 2.899 2.899 2.899 . 0 0 "[ ]" 1
1330 1 120 THR H 1 121 HIS H 5.000 . 5.300 2.904 2.904 2.904 . 0 0 "[ ]" 1
1331 1 120 THR H 1 122 GLU H 4.500 . 5.300 4.378 4.378 4.378 . 0 0 "[ ]" 1
1332 1 119 ASN H 1 120 THR H 2.700 . 3.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
1333 1 78 LYS HG3 1 120 THR H 5.700 . 6.500 6.501 6.501 6.501 0.001 1 0 "[ ]" 1
1334 1 7 LEU MD1 1 120 THR HB 5.600 . 6.500 4.494 4.494 4.494 . 0 0 "[ ]" 1
1335 1 121 HIS H 1 121 HIS HB2 3.400 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
1336 1 120 THR HA 1 121 HIS H 3.100 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
1337 1 121 HIS H 1 121 HIS HB3 4.200 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
1338 1 120 THR HB 1 121 HIS H 3.700 . 5.300 1.874 1.874 1.874 . 0 0 "[ ]" 1
1339 1 120 THR MG 1 121 HIS H 5.300 . 6.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
1340 1 91 TYR QE 1 121 HIS H 4.500 . 5.300 3.989 3.989 3.989 . 0 0 "[ ]" 1
1341 1 38 LEU MD1 1 121 HIS H 4.600 . 5.300 3.386 3.386 3.386 . 0 0 "[ ]" 1
1342 1 121 HIS HA 1 121 HIS HB3 2.500 . 2.700 2.557 2.557 2.557 . 0 0 "[ ]" 1
1343 1 120 THR MG 1 121 HIS HA 4.600 . 5.300 4.003 4.003 4.003 . 0 0 "[ ]" 1
1344 1 121 HIS HA 1 124 LEU MD2 5.500 . 6.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
1345 1 121 HIS HA 1 124 LEU HB3 2.700 . 3.500 3.137 3.137 3.137 . 0 0 "[ ]" 1
1346 1 120 THR MG 1 121 HIS HD2 5.500 . 6.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
1347 1 121 HIS HB2 1 121 HIS HD2 3.200 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
1348 1 98 MET ME 1 121 HIS HD2 4.100 . 5.300 3.232 3.232 3.232 . 0 0 "[ ]" 1
1349 1 122 GLU H 1 122 GLU HA 2.800 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
1350 1 122 GLU H 1 122 GLU HB2 2.800 . 3.500 2.575 2.575 2.575 . 0 0 "[ ]" 1
1351 1 122 GLU H 1 122 GLU HB3 2.700 . 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 1
1352 1 122 GLU H 1 125 LEU MD1 6.000 . 6.500 5.158 5.158 5.158 . 0 0 "[ ]" 1
1353 1 119 ASN HA 1 122 GLU H 3.800 . 5.300 4.247 4.247 4.247 . 0 0 "[ ]" 1
1354 1 121 HIS HA 1 122 GLU H 3.000 . 3.500 2.709 2.709 2.709 . 0 0 "[ ]" 1
1355 1 122 GLU H 1 123 GLN H 2.900 . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1
1356 1 121 HIS H 1 122 GLU H 3.000 . 3.500 3.405 3.405 3.405 . 0 0 "[ ]" 1
1357 1 121 HIS HB3 1 122 GLU H 4.800 . 5.300 4.402 4.402 4.402 . 0 0 "[ ]" 1
1358 1 38 LEU MD1 1 122 GLU H 4.600 . 5.300 3.943 3.943 3.943 . 0 0 "[ ]" 1
1359 1 120 THR HA 1 122 GLU H 3.800 . 5.300 4.013 4.013 4.013 . 0 0 "[ ]" 1
1360 1 120 THR MG 1 122 GLU H 6.000 . 6.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
1361 1 122 GLU HA 1 122 GLU HB2 2.500 . 2.700 2.566 2.566 2.566 . 0 0 "[ ]" 1
1362 1 122 GLU HA 1 122 GLU HB3 2.900 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
1363 1 122 GLU HA 1 125 LEU HB2 3.000 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
1364 1 122 GLU HB2 1 123 GLN H 3.700 . 5.300 3.470 3.470 3.470 . 0 0 "[ ]" 1
1365 1 123 GLN H 1 124 LEU H 2.800 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
1366 1 123 GLN H 1 123 GLN HB3 3.800 . 5.300 3.610 3.610 3.610 . 0 0 "[ ]" 1
1367 1 123 GLN H 1 123 GLN HB2 2.500 . 2.700 2.403 2.403 2.403 . 0 0 "[ ]" 1
1368 1 123 GLN H 1 123 GLN HA 3.000 . 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 1
1369 1 123 GLN H 1 125 LEU H 4.500 . 5.300 4.374 4.374 4.374 . 0 0 "[ ]" 1
1370 1 123 GLN H 1 124 LEU HB3 5.000 . 5.300 5.070 5.070 5.070 . 0 0 "[ ]" 1
1371 1 121 HIS HA 1 123 GLN H 3.800 . 5.300 4.536 4.536 4.536 . 0 0 "[ ]" 1
1372 1 122 GLU HA 1 123 GLN H 3.700 . 5.300 3.586 3.586 3.586 . 0 0 "[ ]" 1
1373 1 123 GLN HA 1 123 GLN HB2 2.600 . 3.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
1374 1 123 GLN HA 1 123 GLN HB3 2.100 . 2.700 2.583 2.583 2.583 . 0 0 "[ ]" 1
1375 1 123 GLN HA 1 126 ARG HB2 2.700 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
1376 1 123 GLN HB3 1 124 LEU H 4.700 . 5.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
1377 1 123 GLN HB2 1 124 LEU H 2.800 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
1378 1 124 LEU H 1 124 LEU HB3 2.500 . 2.700 2.513 2.513 2.513 . 0 0 "[ ]" 1
1379 1 123 GLN HA 1 124 LEU H 3.600 . 5.300 3.533 3.533 3.533 . 0 0 "[ ]" 1
1380 1 124 LEU H 1 124 LEU MD2 5.100 . 5.300 4.170 4.170 4.170 . 0 0 "[ ]" 1
1381 1 124 LEU H 1 124 LEU MD1 5.100 . 5.300 4.226 4.226 4.226 . 0 0 "[ ]" 1
1382 1 124 LEU H 1 124 LEU HG 3.900 . 5.300 4.398 4.398 4.398 . 0 0 "[ ]" 1
1383 1 121 HIS HA 1 124 LEU H 5.200 . 5.300 3.524 3.524 3.524 . 0 0 "[ ]" 1
1384 1 124 LEU H 1 125 LEU H 3.500 . 5.300 2.668 2.668 2.668 . 0 0 "[ ]" 1
1385 1 124 LEU HA 1 124 LEU HB3 3.000 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1386 1 124 LEU HA 1 127 LYS HB2 2.700 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
1387 1 124 LEU HA 1 124 LEU MD1 4.100 . 5.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
1388 1 124 LEU HA 1 124 LEU MD2 4.100 . 5.300 3.759 3.759 3.759 . 0 0 "[ ]" 1
1389 1 125 LEU H 1 125 LEU HA 3.000 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
1390 1 125 LEU H 1 125 LEU HB2 2.600 . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
1391 1 125 LEU H 1 125 LEU HG 2.400 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 1
1392 1 125 LEU H 1 125 LEU HB3 3.500 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1
1393 1 122 GLU HA 1 125 LEU H 3.400 . 3.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
1394 1 125 LEU H 1 126 ARG H 3.000 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
1395 1 124 LEU HA 1 125 LEU H 3.600 . 5.300 3.559 3.559 3.559 . 0 0 "[ ]" 1
1396 1 124 LEU HB3 1 125 LEU H 2.400 . 2.700 2.584 2.584 2.584 . 0 0 "[ ]" 1
1397 1 111 VAL MG2 1 125 LEU H 6.000 . 6.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
1398 1 125 LEU HA 1 125 LEU MD2 4.300 . 5.300 1.928 1.928 1.928 . 0 0 "[ ]" 1
1399 1 125 LEU HA 1 125 LEU HG 3.500 . 5.300 2.774 2.774 2.774 . 0 0 "[ ]" 1
1400 1 126 ARG H 1 126 ARG HB3 3.600 . 5.300 3.091 3.091 3.091 . 0 0 "[ ]" 1
1401 1 125 LEU HA 1 126 ARG H 3.000 . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
1402 1 126 ARG H 1 127 LYS H 3.000 . 3.500 2.512 2.512 2.512 . 0 0 "[ ]" 1
1403 1 124 LEU H 1 126 ARG H 4.500 . 5.300 3.896 3.896 3.896 . 0 0 "[ ]" 1
1404 1 126 ARG H 1 126 ARG HA 2.900 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
1405 1 125 LEU HG 1 126 ARG H 4.000 . 5.300 4.716 4.716 4.716 . 0 0 "[ ]" 1
1406 1 111 VAL MG2 1 126 ARG H 5.600 . 6.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
1407 1 124 LEU HB3 1 126 ARG H 5.800 . 6.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
1408 1 125 LEU HB2 1 126 ARG H 2.900 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
1409 1 125 LEU HB3 1 126 ARG H 4.500 . 5.300 3.718 3.718 3.718 . 0 0 "[ ]" 1
1410 1 126 ARG H 1 126 ARG HB2 2.700 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
1411 1 122 GLU HA 1 126 ARG H 4.200 . 5.300 4.485 4.485 4.485 . 0 0 "[ ]" 1
1412 1 124 LEU HA 1 126 ARG H 4.000 . 5.300 4.054 4.054 4.054 . 0 0 "[ ]" 1
1413 1 125 LEU MD1 1 126 ARG H 5.400 . 6.500 4.929 4.929 4.929 . 0 0 "[ ]" 1
1414 1 123 GLN HB2 1 126 ARG H 5.500 . 6.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
1415 1 126 ARG HA 1 126 ARG HB2 2.800 . 3.500 2.772 2.772 2.772 . 0 0 "[ ]" 1
1416 1 126 ARG HA 1 129 GLU HB2 4.000 . 5.300 3.761 3.761 3.761 . 0 0 "[ ]" 1
1417 1 127 LYS H 1 128 SER H 2.700 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
1418 1 125 LEU H 1 127 LYS H 4.500 . 5.300 4.195 4.195 4.195 . 0 0 "[ ]" 1
1419 1 127 LYS H 1 127 LYS HA 2.700 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
1420 1 127 LYS H 1 127 LYS HB2 2.400 . 2.700 2.108 2.108 2.108 . 0 0 "[ ]" 1
1421 1 127 LYS H 1 129 GLU HB2 5.800 . 6.500 6.029 6.029 6.029 . 0 0 "[ ]" 1
1422 1 127 LYS H 1 127 LYS QD 4.700 . 5.300 3.546 3.546 3.546 . 0 0 "[ ]" 1
1423 1 126 ARG HB3 1 127 LYS H 4.000 . 5.300 2.922 2.922 2.922 . 0 0 "[ ]" 1
1424 1 127 LYS H 1 129 GLU H 3.500 . 5.300 4.066 4.066 4.066 . 0 0 "[ ]" 1
1425 1 126 ARG HA 1 127 LYS H 3.600 . 5.300 3.531 3.531 3.531 . 0 0 "[ ]" 1
1426 1 124 LEU HA 1 127 LYS H 4.000 . 5.300 3.441 3.441 3.441 . 0 0 "[ ]" 1
1427 1 124 LEU HG 1 127 LYS H 5.500 . 6.500 4.662 4.662 4.662 . 0 0 "[ ]" 1
1428 1 127 LYS HA 1 127 LYS HB2 2.900 . 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
1429 1 127 LYS HA 1 127 LYS HG3 3.800 . 5.300 2.094 2.094 2.094 . 0 0 "[ ]" 1
1430 1 127 LYS HA 1 130 ALA MB 4.300 . 5.300 2.879 2.879 2.879 . 0 0 "[ ]" 1
1431 1 127 LYS HB2 1 128 SER H 2.700 . 3.500 2.939 2.939 2.939 . 0 0 "[ ]" 1
1432 1 127 LYS HB3 1 128 SER H 3.500 . 5.300 3.012 3.012 3.012 . 0 0 "[ ]" 1
1433 1 127 LYS HA 1 128 SER H 3.600 . 5.300 3.566 3.566 3.566 . 0 0 "[ ]" 1
1434 1 128 SER H 1 128 SER HB2 2.800 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
1435 1 104 VAL MG1 1 128 SER H 5.500 . 6.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
1436 1 127 LYS HG2 1 128 SER H 5.100 . 5.300 5.023 5.023 5.023 . 0 0 "[ ]" 1
1437 1 125 LEU MD2 1 128 SER H 5.400 . 6.500 4.569 4.569 4.569 . 0 0 "[ ]" 1
1438 1 124 LEU MD2 1 128 SER H 5.800 . 6.500 4.803 4.803 4.803 . 0 0 "[ ]" 1
1439 1 127 LYS HG3 1 128 SER H 4.300 . 5.300 4.850 4.850 4.850 . 0 0 "[ ]" 1
1440 1 125 LEU HA 1 128 SER H 3.000 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
1441 1 128 SER H 1 129 GLU H 2.900 . 3.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
1442 1 126 ARG H 1 128 SER H 4.500 . 5.300 4.164 4.164 4.164 . 0 0 "[ ]" 1
1443 1 128 SER H 1 130 ALA H 4.500 . 5.300 4.116 4.116 4.116 . 0 0 "[ ]" 1
1444 1 128 SER HA 1 131 GLN HB2 4.000 . 5.300 2.728 2.728 2.728 . 0 0 "[ ]" 1
1445 1 129 GLU H 1 129 GLU HB2 2.700 . 3.500 2.663 2.663 2.663 . 0 0 "[ ]" 1
1446 1 129 GLU H 1 129 GLU HB3 3.000 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
1447 1 129 GLU H 1 131 GLN H 4.500 . 5.300 4.122 4.122 4.122 . 0 0 "[ ]" 1
1448 1 129 GLU H 1 130 ALA H 3.000 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
1449 1 128 SER HA 1 129 GLU H 3.500 . 5.300 3.562 3.562 3.562 . 0 0 "[ ]" 1
1450 1 129 GLU H 1 130 ALA MB 5.400 . 6.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
1451 1 125 LEU HA 1 129 GLU H 3.500 . 5.300 4.004 4.004 4.004 . 0 0 "[ ]" 1
1452 1 111 VAL MG2 1 129 GLU H 4.900 . 5.300 4.075 4.075 4.075 . 0 0 "[ ]" 1
1453 1 104 VAL MG1 1 129 GLU H 4.500 . 5.300 3.131 3.131 3.131 . 0 0 "[ ]" 1
1454 1 126 ARG HA 1 129 GLU H 4.000 . 5.300 3.579 3.579 3.579 . 0 0 "[ ]" 1
1455 1 129 GLU HA 1 129 GLU HB2 2.400 . 2.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
1456 1 129 GLU HA 1 129 GLU HB3 2.800 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
1457 1 129 GLU HA 1 132 ALA MB 3.900 . 5.300 2.971 2.971 2.971 . 0 0 "[ ]" 1
1458 1 130 ALA H 1 132 ALA H 4.500 . 5.300 4.370 4.370 4.370 . 0 0 "[ ]" 1
1459 1 130 ALA H 1 130 ALA HA 2.800 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
1460 1 127 LYS HA 1 130 ALA H 3.500 . 5.300 3.502 3.502 3.502 . 0 0 "[ ]" 1
1461 1 128 SER HA 1 130 ALA H 4.000 . 5.300 4.284 4.284 4.284 . 0 0 "[ ]" 1
1462 1 129 GLU HB2 1 130 ALA H 3.800 . 5.300 4.006 4.006 4.006 . 0 0 "[ ]" 1
1463 1 129 GLU HB3 1 130 ALA H 3.100 . 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
1464 1 127 LYS HB2 1 130 ALA H 5.500 . 6.500 5.675 5.675 5.675 . 0 0 "[ ]" 1
1465 1 126 ARG HA 1 130 ALA H 3.800 . 5.300 4.219 4.219 4.219 . 0 0 "[ ]" 1
1466 1 104 VAL MG1 1 130 ALA H 5.500 . 6.500 4.979 4.979 4.979 . 0 0 "[ ]" 1
1467 1 130 ALA HA 1 133 LYS HB2 3.300 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
1468 1 131 GLN H 1 131 GLN HB2 2.700 . 3.500 2.148 2.148 2.148 . 0 0 "[ ]" 1
1469 1 131 GLN H 1 131 GLN HA 2.800 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
1470 1 130 ALA HA 1 131 GLN H 3.500 . 5.300 3.538 3.538 3.538 . 0 0 "[ ]" 1
1471 1 128 SER HA 1 131 GLN H 3.500 . 5.300 3.336 3.336 3.336 . 0 0 "[ ]" 1
1472 1 130 ALA MB 1 131 GLN H 4.100 . 5.300 2.654 2.654 2.654 . 0 0 "[ ]" 1
1473 1 131 GLN H 1 131 GLN QG 4.000 . 5.300 3.684 3.684 3.684 . 0 0 "[ ]" 1
1474 1 131 GLN H 1 131 GLN HB3 3.000 . 3.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
1475 1 127 LYS HA 1 131 GLN H 3.700 . 5.300 4.368 4.368 4.368 . 0 0 "[ ]" 1
1476 1 131 GLN H 1 133 LYS H 3.900 . 5.300 4.023 4.023 4.023 . 0 0 "[ ]" 1
1477 1 131 GLN H 1 132 ALA H 2.700 . 3.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
1478 1 130 ALA H 1 131 GLN H 2.700 . 3.500 2.581 2.581 2.581 . 0 0 "[ ]" 1
1479 1 131 GLN HA 1 134 LYS HB3 2.200 . 2.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
1480 1 132 ALA H 1 137 LEU MD1 5.500 . 6.300 4.436 4.436 4.436 . 0 0 "[ ]" 1
1481 1 132 ALA H 1 132 ALA HA 2.900 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
1482 1 132 ALA H 1 133 LYS HA 5.300 . 6.500 5.374 5.374 5.374 . 0 0 "[ ]" 1
1483 1 128 SER HA 1 132 ALA H 4.600 . 5.300 4.218 4.218 4.218 . 0 0 "[ ]" 1
1484 1 128 SER HB2 1 132 ALA H 5.400 . 6.500 6.117 6.117 6.117 . 0 0 "[ ]" 1
1485 1 131 GLN QG 1 132 ALA H 4.000 . 5.300 4.359 4.359 4.359 . 0 0 "[ ]" 1
1486 1 131 GLN HB2 1 132 ALA H 3.600 . 5.300 3.289 3.289 3.289 . 0 0 "[ ]" 1
1487 1 131 GLN HB3 1 132 ALA H 3.000 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
1488 1 130 ALA MB 1 132 ALA H 5.500 . 6.500 4.745 4.745 4.745 . 0 0 "[ ]" 1
1489 1 105 ARG HA 1 132 ALA H 4.800 . 5.300 3.622 3.622 3.622 . 0 0 "[ ]" 1
1490 1 132 ALA H 1 133 LYS H 2.500 . 2.700 2.715 2.715 2.715 0.015 1 0 "[ ]" 1
1491 1 133 LYS H 1 134 LYS H 2.500 . 2.700 2.484 2.484 2.484 . 0 0 "[ ]" 1
1492 1 133 LYS H 1 133 LYS HA 2.700 . 3.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
1493 1 132 ALA MB 1 133 LYS H 3.900 . 5.300 2.659 2.659 2.659 . 0 0 "[ ]" 1
1494 1 133 LYS H 1 133 LYS HB2 2.700 . 3.500 2.414 2.414 2.414 . 0 0 "[ ]" 1
1495 1 133 LYS H 1 133 LYS HB3 3.600 . 5.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
1496 1 133 LYS H 1 133 LYS QD 5.500 . 6.500 4.355 4.355 4.355 . 0 0 "[ ]" 1
1497 1 133 LYS H 1 133 LYS QG 3.900 . 5.300 2.532 2.532 2.532 . 0 0 "[ ]" 1
1498 1 130 ALA HA 1 133 LYS H 3.500 . 5.300 3.462 3.462 3.462 . 0 0 "[ ]" 1
1499 1 132 ALA HA 1 133 LYS H 3.600 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
1500 1 130 ALA MB 1 133 LYS H 5.500 . 6.500 4.606 4.606 4.606 . 0 0 "[ ]" 1
1501 1 133 LYS H 1 140 TRP HB2 5.500 . 6.500 5.198 5.198 5.198 . 0 0 "[ ]" 1
1502 1 133 LYS HA 1 133 LYS QG 3.300 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
1503 1 133 LYS HA 1 133 LYS QD 4.500 . 5.300 3.294 3.294 3.294 . 0 0 "[ ]" 1
1504 1 133 LYS HA 1 133 LYS HB2 2.800 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
1505 1 133 LYS HA 1 133 LYS HB3 2.800 . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
1506 1 134 LYS H 1 135 GLU H 2.900 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
1507 1 134 LYS H 1 136 LYS H 4.500 . 5.300 3.821 3.821 3.821 . 0 0 "[ ]" 1
1508 1 133 LYS HB2 1 134 LYS H 3.000 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
1509 1 134 LYS H 1 134 LYS HB3 2.500 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 1
1510 1 133 LYS HA 1 134 LYS H 3.700 . 5.300 3.467 3.467 3.467 . 0 0 "[ ]" 1
1511 1 134 LYS H 1 134 LYS HA 2.900 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
1512 1 130 ALA HA 1 134 LYS H 3.500 . 5.300 4.250 4.250 4.250 . 0 0 "[ ]" 1
1513 1 133 LYS QG 1 134 LYS H 5.000 . 5.300 4.197 4.197 4.197 . 0 0 "[ ]" 1
1514 1 131 GLN H 1 134 LYS H 5.000 . 5.300 4.528 4.528 4.528 . 0 0 "[ ]" 1
1515 1 133 LYS HB3 1 134 LYS H 3.900 . 5.300 3.937 3.937 3.937 . 0 0 "[ ]" 1
1516 1 132 ALA MB 1 134 LYS H 5.500 . 6.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
1517 1 134 LYS HA 1 134 LYS HB3 2.700 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1518 1 135 GLU H 1 135 GLU HB2 2.700 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1519 1 135 GLU H 1 135 GLU HB3 3.600 . 5.300 3.657 3.657 3.657 . 0 0 "[ ]" 1
1520 1 135 GLU H 1 135 GLU HG2 3.500 . 5.300 3.598 3.598 3.598 . 0 0 "[ ]" 1
1521 1 135 GLU H 1 135 GLU HG3 2.800 . 3.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
1522 1 135 GLU H 1 137 LEU HG 4.000 . 5.300 4.475 4.475 4.475 . 0 0 "[ ]" 1
1523 1 134 LYS HA 1 135 GLU H 2.700 . 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
1524 1 135 GLU H 1 135 GLU HA 2.800 . 3.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
1525 1 134 LYS HB3 1 135 GLU H 2.600 . 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
1526 1 135 GLU H 1 136 LYS H 2.400 . 2.700 2.067 2.067 2.067 . 0 0 "[ ]" 1
1527 1 135 GLU H 1 137 LEU H 4.500 . 5.300 3.916 3.916 3.916 . 0 0 "[ ]" 1
1528 1 135 GLU H 1 137 LEU HB3 5.500 . 6.500 6.549 6.549 6.549 0.049 1 0 "[ ]" 1
1529 1 132 ALA HA 1 135 GLU H 3.600 . 5.300 3.414 3.414 3.414 . 0 0 "[ ]" 1
1530 1 135 GLU H 1 136 LYS HA 4.100 . 5.300 4.388 4.388 4.388 . 0 0 "[ ]" 1
1531 1 133 LYS H 1 135 GLU H 3.600 . 5.300 3.949 3.949 3.949 . 0 0 "[ ]" 1
1532 1 135 GLU HA 1 135 GLU HB3 2.500 . 2.700 2.579 2.579 2.579 . 0 0 "[ ]" 1
1533 1 136 LYS H 1 137 LEU H 2.300 . 2.700 2.742 2.742 2.742 0.042 1 0 "[ ]" 1
1534 1 136 LYS H 1 136 LYS QG 2.700 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
1535 1 135 GLU HA 1 136 LYS H 3.000 . 3.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
1536 1 134 LYS HA 1 136 LYS H 3.700 . 5.300 4.081 4.081 4.081 . 0 0 "[ ]" 1
1537 1 133 LYS HA 1 136 LYS H 3.500 . 5.300 3.342 3.342 3.342 . 0 0 "[ ]" 1
1538 1 136 LYS H 1 136 LYS HB3 4.100 . 5.300 4.061 4.061 4.061 . 0 0 "[ ]" 1
1539 1 136 LYS H 1 136 LYS HB2 3.700 . 5.300 3.751 3.751 3.751 . 0 0 "[ ]" 1
1540 1 136 LYS H 1 136 LYS HA 2.400 . 2.700 2.351 2.351 2.351 . 0 0 "[ ]" 1
1541 1 132 ALA HA 1 136 LYS H 4.100 . 5.300 4.416 4.416 4.416 . 0 0 "[ ]" 1
1542 1 136 LYS H 1 140 TRP HB3 3.300 . 3.500 3.320 3.320 3.320 . 0 0 "[ ]" 1
1543 1 136 LYS H 1 140 TRP HB2 3.500 . 5.300 3.183 3.183 3.183 . 0 0 "[ ]" 1
1544 1 135 GLU HB2 1 136 LYS H 3.100 . 3.500 3.353 3.353 3.353 . 0 0 "[ ]" 1
1545 1 136 LYS HA 1 136 LYS HB3 2.600 . 2.700 2.382 2.382 2.382 . 0 0 "[ ]" 1
1546 1 137 LEU H 1 137 LEU HB3 3.500 . 5.300 3.582 3.582 3.582 . 0 0 "[ ]" 1
1547 1 137 LEU H 1 137 LEU HB2 2.600 . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
1548 1 137 LEU H 1 137 LEU HG 2.600 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
1549 1 137 LEU H 1 137 LEU MD2 4.600 . 5.300 4.020 4.020 4.020 . 0 0 "[ ]" 1
1550 1 136 LYS HA 1 137 LEU H 2.800 . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
1551 1 137 LEU H 1 137 LEU HA 2.900 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
1552 1 132 ALA HA 1 137 LEU H 4.700 . 5.300 3.878 3.878 3.878 . 0 0 "[ ]" 1
1553 1 137 LEU H 1 137 LEU MD1 5.000 . 5.300 3.641 3.641 3.641 . 0 0 "[ ]" 1
1554 1 137 LEU H 1 140 TRP HB3 3.700 . 5.300 3.419 3.419 3.419 . 0 0 "[ ]" 1
1555 1 137 LEU H 1 140 TRP HD1 . . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
1556 1 137 LEU H 1 141 SER H 3.800 . 5.300 4.589 4.589 4.589 . 0 0 "[ ]" 1
1557 1 137 LEU H 1 140 TRP H 4.000 . 5.300 3.795 3.795 3.795 . 0 0 "[ ]" 1
1558 1 135 GLU HB3 1 137 LEU H 4.100 . 5.300 4.427 4.427 4.427 . 0 0 "[ ]" 1
1559 1 137 LEU H 1 140 TRP HB2 3.400 . 3.500 1.923 1.923 1.923 . 0 0 "[ ]" 1
1560 1 136 LYS HB2 1 137 LEU H 4.500 . 5.300 4.315 4.315 4.315 . 0 0 "[ ]" 1
1561 1 133 LYS HA 1 137 LEU H 3.900 . 5.300 3.990 3.990 3.990 . 0 0 "[ ]" 1
1562 1 137 LEU HA 1 137 LEU HG 3.100 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
1563 1 137 LEU HA 1 137 LEU HB3 2.500 . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
1564 1 137 LEU HA 1 137 LEU MD2 4.000 . 5.300 1.945 1.945 1.945 . 0 0 "[ ]" 1
1565 1 137 LEU HA 1 138 ASN H 2.500 . 2.700 2.160 2.160 2.160 . 0 0 "[ ]" 1
1566 1 137 LEU H 1 138 ASN H 3.500 . 5.300 4.462 4.462 4.462 . 0 0 "[ ]" 1
1567 1 137 LEU HG 1 138 ASN H 4.700 . 5.300 4.720 4.720 4.720 . 0 0 "[ ]" 1
1568 1 138 ASN H 1 138 ASN HA 2.700 . 3.500 2.332 2.332 2.332 . 0 0 "[ ]" 1
1569 1 138 ASN H 1 138 ASN HB2 3.700 . 5.300 3.443 3.443 3.443 . 0 0 "[ ]" 1
1570 1 137 LEU HB3 1 138 ASN H 3.400 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
1571 1 137 LEU HB2 1 138 ASN H 4.500 . 5.300 4.413 4.413 4.413 . 0 0 "[ ]" 1
1572 1 137 LEU MD1 1 138 ASN H 5.500 . 6.500 5.159 5.159 5.159 . 0 0 "[ ]" 1
1573 1 137 LEU MD2 1 138 ASN H 4.500 . 5.300 3.204 3.204 3.204 . 0 0 "[ ]" 1
1574 1 138 ASN HA 1 138 ASN HB2 2.700 . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
1575 1 108 LEU MD2 1 138 ASN HA 5.700 . 6.500 4.686 4.686 4.686 . 0 0 "[ ]" 1
1576 1 106 GLN HB3 1 138 ASN HD22 4.300 . 5.300 4.940 4.940 4.940 . 0 0 "[ ]" 1
1577 1 138 ASN HB2 1 138 ASN HD22 3.500 . 5.300 3.601 3.601 3.601 . 0 0 "[ ]" 1
1578 1 108 LEU HG 1 138 ASN HD22 3.500 . 5.300 4.565 4.565 4.565 . 0 0 "[ ]" 1
1579 1 137 LEU HB3 1 138 ASN HD22 4.200 . 5.300 3.721 3.721 3.721 . 0 0 "[ ]" 1
1580 1 108 LEU MD1 1 138 ASN HD22 5.300 . 6.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
1581 1 108 LEU MD2 1 138 ASN HD22 4.900 . 5.300 3.165 3.165 3.165 . 0 0 "[ ]" 1
1582 1 137 LEU MD1 1 138 ASN HD22 5.800 . 6.500 5.029 5.029 5.029 . 0 0 "[ ]" 1
1583 1 106 GLN HB3 1 138 ASN HD21 3.900 . 5.300 5.048 5.048 5.048 . 0 0 "[ ]" 1
1584 1 138 ASN HB2 1 138 ASN HD21 3.200 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
1585 1 108 LEU HG 1 138 ASN HD21 3.500 . 5.300 4.512 4.512 4.512 . 0 0 "[ ]" 1
1586 1 108 LEU MD1 1 138 ASN HD21 5.300 . 6.500 4.877 4.877 4.877 . 0 0 "[ ]" 1
1587 1 137 LEU HB3 1 138 ASN HD21 3.500 . 5.300 2.279 2.279 2.279 . 0 0 "[ ]" 1
1588 1 108 LEU MD2 1 138 ASN HD21 5.100 . 5.300 3.477 3.477 3.477 . 0 0 "[ ]" 1
1589 1 139 ILE H 1 139 ILE HA 3.000 . 3.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
1590 1 139 ILE H 1 139 ILE HB 2.800 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
1591 1 139 ILE H 1 139 ILE QG 2.800 . 3.500 1.803 1.803 1.803 . 0 0 "[ ]" 1
1592 1 139 ILE H 1 139 ILE MD 4.500 . 5.300 3.548 3.548 3.548 . 0 0 "[ ]" 1
1593 1 138 ASN HB2 1 139 ILE H 2.800 . 3.500 2.027 2.027 2.027 . 0 0 "[ ]" 1
1594 1 138 ASN HB3 1 139 ILE H 2.700 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
1595 1 138 ASN HA 1 139 ILE H 3.700 . 5.300 3.439 3.439 3.439 . 0 0 "[ ]" 1
1596 1 108 LEU MD2 1 139 ILE H 5.100 . 5.300 4.036 4.036 4.036 . 0 0 "[ ]" 1
1597 1 139 ILE HA 1 139 ILE QG 2.700 . 3.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
1598 1 139 ILE HA 1 139 ILE HB 2.900 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
1599 1 139 ILE HB 1 139 ILE MD 3.400 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
1600 1 139 ILE MG 1 140 TRP H 5.200 . 5.300 4.139 4.139 4.139 . 0 0 "[ ]" 1
1601 1 139 ILE HB 1 140 TRP H 3.300 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
1602 1 140 TRP H 1 140 TRP HB3 3.600 . 5.300 3.630 3.630 3.630 . 0 0 "[ ]" 1
1603 1 140 TRP H 1 140 TRP HB2 3.000 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
1604 1 140 TRP H 1 140 TRP HE3 3.700 . 5.300 3.944 3.944 3.944 . 0 0 "[ ]" 1
1605 1 139 ILE QG 1 140 TRP H 3.500 . 5.300 1.927 1.927 1.927 . 0 0 "[ ]" 1
1606 1 139 ILE MD 1 140 TRP H 6.000 . 6.500 3.593 3.593 3.593 . 0 0 "[ ]" 1
1607 1 139 ILE HA 1 140 TRP H 3.900 . 5.300 3.545 3.545 3.545 . 0 0 "[ ]" 1
1608 1 140 TRP H 1 140 TRP HD1 . . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
1609 1 140 TRP H 1 141 SER HA 3.700 . 5.300 5.177 5.177 5.177 . 0 0 "[ ]" 1
1610 1 139 ILE H 1 140 TRP H 3.000 . 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
1611 1 140 TRP HA 1 140 TRP HB3 2.900 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1612 1 137 LEU HB2 1 140 TRP HD1 3.500 . 5.300 2.707 2.707 2.707 . 0 0 "[ ]" 1
1613 1 132 ALA H 1 140 TRP HD1 5.500 . 6.500 4.869 4.869 4.869 . 0 0 "[ ]" 1
1614 1 133 LYS H 1 140 TRP HD1 3.600 . 5.300 3.772 3.772 3.772 . 0 0 "[ ]" 1
1615 1 107 GLY HA2 1 140 TRP HD1 2.900 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
1616 1 137 LEU MD1 1 140 TRP HD1 5.000 . 5.300 4.059 4.059 4.059 . 0 0 "[ ]" 1
1617 1 107 GLY HA3 1 140 TRP HD1 2.900 . 3.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
1618 1 140 TRP HB3 1 140 TRP HD1 3.800 . 5.300 3.455 3.455 3.455 . 0 0 "[ ]" 1
1619 1 133 LYS HA 1 140 TRP HD1 3.400 . 3.500 3.185 3.185 3.185 . 0 0 "[ ]" 1
1620 1 132 ALA HA 1 140 TRP HD1 4.500 . 5.300 3.388 3.388 3.388 . 0 0 "[ ]" 1
1621 1 132 ALA MB 1 140 TRP HD1 4.300 . 5.300 1.973 1.973 1.973 . 0 0 "[ ]" 1
1622 1 140 TRP HB2 1 140 TRP HD1 2.900 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
1623 1 140 TRP HA 1 140 TRP HE3 2.700 . 3.500 1.871 1.871 1.871 . 0 0 "[ ]" 1
1624 1 133 LYS QD 1 140 TRP HE3 3.500 . 5.300 2.838 2.838 2.838 . 0 0 "[ ]" 1
1625 1 133 LYS HA 1 140 TRP HE3 4.000 . 5.300 4.154 4.154 4.154 . 0 0 "[ ]" 1
1626 1 140 TRP HB3 1 140 TRP HE3 3.000 . 3.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
1627 1 139 ILE MG 1 140 TRP HE3 5.800 . 6.500 5.438 5.438 5.438 . 0 0 "[ ]" 1
1628 1 129 GLU HA 1 140 TRP HZ2 4.400 . 5.300 4.940 4.940 4.940 . 0 0 "[ ]" 1
1629 1 110 LYS HG2 1 140 TRP HZ2 3.500 . 5.300 3.042 3.042 3.042 . 0 0 "[ ]" 1
1630 1 110 LYS QB 1 140 TRP HZ2 5.000 . 5.300 4.421 4.421 4.421 . 0 0 "[ ]" 1
1631 1 133 LYS QD 1 140 TRP HZ2 4.700 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1
1632 1 110 LYS HA 1 140 TRP HZ2 3.600 . 5.300 4.113 4.113 4.113 . 0 0 "[ ]" 1
1633 1 110 LYS QB 1 140 TRP HH2 5.400 . 6.500 4.573 4.573 4.573 . 0 0 "[ ]" 1
1634 1 140 TRP H 1 141 SER H 2.400 . 2.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
1635 1 141 SER H 1 141 SER HA 2.900 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
1636 1 139 ILE HA 1 141 SER H 4.500 . 5.300 3.526 3.526 3.526 . 0 0 "[ ]" 1
1637 1 140 TRP HA 1 141 SER H 5.000 . 5.300 3.296 3.296 3.296 . 0 0 "[ ]" 1
1638 1 140 TRP HB2 1 141 SER H 3.800 . 5.300 3.560 3.560 3.560 . 0 0 "[ ]" 1
1639 1 139 ILE HB 1 141 SER H 5.500 . 6.500 4.839 4.839 4.839 . 0 0 "[ ]" 1
1640 1 139 ILE H 1 141 SER H 5.500 . 6.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
1641 1 141 SER H 1 141 SER HB3 2.600 . 2.700 2.646 2.646 2.646 . 0 0 "[ ]" 1
1642 1 142 GLU H 1 142 GLU HB2 2.800 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
1643 1 142 GLU H 1 142 GLU HB3 3.500 . 5.300 3.758 3.758 3.758 . 0 0 "[ ]" 1
1644 1 142 GLU H 1 142 GLU QG 3.100 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
1645 1 141 SER QB 1 142 GLU H 3.600 . 5.300 4.017 4.017 4.017 . 0 0 "[ ]" 1
1646 1 141 SER HA 1 142 GLU H 3.400 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
1647 1 142 GLU H 1 143 ASP HA 5.000 . 5.300 4.712 4.712 4.712 . 0 0 "[ ]" 1
1648 1 141 SER H 1 142 GLU H 2.900 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
1649 1 142 GLU HA 1 142 GLU HB3 3.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
1650 1 142 GLU HB2 1 143 ASP H 3.400 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
1651 1 142 GLU H 1 143 ASP H 3.200 . 3.500 2.017 2.017 2.017 . 0 0 "[ ]" 1
1652 1 143 ASP H 1 143 ASP HB2 2.900 . 3.500 2.172 2.172 2.172 . 0 0 "[ ]" 1
1653 1 143 ASP H 1 143 ASP HB3 3.100 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
1654 1 142 GLU HB3 1 143 ASP H 3.600 . 5.300 4.121 4.121 4.121 . 0 0 "[ ]" 1
1655 1 142 GLU HA 1 143 ASP H 3.000 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
1656 1 141 SER HA 1 143 ASP H 3.500 . 5.300 3.597 3.597 3.597 . 0 0 "[ ]" 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 112
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 0.067
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0084
_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 10 GLU 0.000 0.000 . 0 "[ ]"
1 12 ALA 0.004 0.004 1 0 "[ ]"
1 13 THR 0.018 0.018 1 0 "[ ]"
1 16 LYS 0.000 0.000 . 0 "[ ]"
1 18 ILE 0.000 0.000 . 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.000 0.000 . 0 "[ ]"
1 24 LYS 0.000 0.000 . 0 "[ ]"
1 25 LEU 0.011 0.011 1 0 "[ ]"
1 26 MET 0.018 0.018 1 0 "[ ]"
1 27 TYR 0.000 0.000 . 0 "[ ]"
1 30 GLN 0.000 0.000 . 0 "[ ]"
1 32 MET 0.011 0.011 1 0 "[ ]"
1 33 THR 0.000 0.000 . 0 "[ ]"
1 34 PHE 0.000 0.000 . 0 "[ ]"
1 35 ARG 0.001 0.001 1 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 LEU 0.000 0.000 . 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 40 ASP 0.002 0.002 1 0 "[ ]"
1 57 GLU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 SER 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 PHE 0.000 0.000 . 0 "[ ]"
1 62 THR 0.009 0.009 1 0 "[ ]"
1 63 LYS 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.000 0.000 . 0 "[ ]"
1 65 MET 0.000 0.000 . 0 "[ ]"
1 66 VAL 0.009 0.009 1 0 "[ ]"
1 67 GLU 0.000 0.000 . 0 "[ ]"
1 68 ASN 0.000 0.000 . 0 "[ ]"
1 69 ALA 0.000 0.000 . 0 "[ ]"
1 72 ILE 0.004 0.004 1 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
1 74 VAL 0.000 0.000 . 0 "[ ]"
1 75 GLU 0.000 0.000 . 0 "[ ]"
1 81 ARG 0.000 0.000 . 0 "[ ]"
1 83 ASP 0.000 0.000 . 0 "[ ]"
1 87 ARG 0.000 0.000 . 0 "[ ]"
1 88 GLY 0.001 0.001 1 0 "[ ]"
1 89 LEU 0.000 0.000 . 0 "[ ]"
1 90 ALA 0.000 0.000 . 0 "[ ]"
1 91 TYR 0.000 0.000 . 0 "[ ]"
1 92 ILE 0.000 0.000 . 0 "[ ]"
1 93 TYR 0.000 0.000 . 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 97 LYS 0.000 0.000 . 0 "[ ]"
1 98 MET 0.000 0.000 . 0 "[ ]"
1 99 VAL 0.000 0.000 . 0 "[ ]"
1 100 ASN 0.000 0.000 . 0 "[ ]"
1 101 GLU 0.000 0.000 . 0 "[ ]"
1 102 ALA 0.000 0.000 . 0 "[ ]"
1 103 LEU 0.000 0.000 . 0 "[ ]"
1 104 VAL 0.000 0.000 . 0 "[ ]"
1 105 ARG 0.000 0.000 . 0 "[ ]"
1 106 GLN 0.000 0.000 . 0 "[ ]"
1 110 LYS 0.002 0.002 1 0 "[ ]"
1 112 ALA 0.000 0.000 . 0 "[ ]"
1 122 GLU 0.000 0.000 . 0 "[ ]"
1 123 GLN 0.005 0.005 1 0 "[ ]"
1 124 LEU 0.000 0.000 . 0 "[ ]"
1 125 LEU 0.000 0.000 . 0 "[ ]"
1 126 ARG 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.005 0.005 1 0 "[ ]"
1 128 SER 0.000 0.000 . 0 "[ ]"
1 129 GLU 0.000 0.000 . 0 "[ ]"
1 130 ALA 0.000 0.000 . 0 "[ ]"
1 131 GLN 0.000 0.000 . 0 "[ ]"
1 132 ALA 0.017 0.017 1 0 "[ ]"
1 133 LYS 0.000 0.000 . 0 "[ ]"
1 134 LYS 0.000 0.000 . 0 "[ ]"
1 135 GLU 0.000 0.000 . 0 "[ ]"
1 136 LYS 0.017 0.017 1 0 "[ ]"
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 12 ALA H 1 72 ILE O 1.900 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 2
2 1 13 THR O 1 26 MET H 1.900 . 2.300 2.094 2.094 2.094 . 0 0 "[ ]" 2
3 1 13 THR H 1 26 MET O 1.900 . 2.300 2.318 2.318 2.318 0.018 1 0 "[ ]" 2
4 1 23 VAL H 1 34 PHE O 1.900 . 2.300 2.195 2.195 2.195 . 0 0 "[ ]" 2
5 1 25 LEU H 1 32 MET O 1.900 . 2.300 2.186 2.186 2.186 . 0 0 "[ ]" 2
6 1 27 TYR H 1 30 GLN O 1.900 . 2.300 2.083 2.083 2.083 . 0 0 "[ ]" 2
7 1 27 TYR O 1 30 GLN H 1.900 . 2.300 2.254 2.254 2.254 . 0 0 "[ ]" 2
8 1 25 LEU O 1 32 MET H 1.900 . 2.300 2.311 2.311 2.311 0.011 1 0 "[ ]" 2
9 1 23 VAL O 1 34 PHE H 1.900 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2
10 1 35 ARG H 1 88 GLY O 1.900 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 2
11 1 38 LEU O 1 112 ALA H 1.900 . 2.300 2.270 2.270 2.270 . 0 0 "[ ]" 2
12 1 40 ASP H 1 110 LYS O 1.900 . 2.300 2.277 2.277 2.277 . 0 0 "[ ]" 2
13 1 40 ASP O 1 110 LYS H 1.900 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 2
14 1 16 LYS O 1 24 LYS H 1.900 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 2
15 1 16 LYS H 1 24 LYS O 1.900 . 2.300 2.246 2.246 2.246 . 0 0 "[ ]" 2
16 1 81 ARG O 1 89 LEU H 1.900 . 2.300 2.221 2.221 2.221 . 0 0 "[ ]" 2
17 1 83 ASP H 1 87 ARG O 1.900 . 2.300 2.105 2.105 2.105 . 0 0 "[ ]" 2
18 1 10 GLU H 1 74 VAL O 1.900 . 2.300 2.256 2.256 2.256 . 0 0 "[ ]" 2
19 1 10 GLU O 1 74 VAL H 1.900 . 2.300 2.134 2.134 2.134 . 0 0 "[ ]" 2
20 1 73 GLU O 1 93 TYR H 1.900 . 2.300 2.220 2.220 2.220 . 0 0 "[ ]" 2
21 1 73 GLU H 1 93 TYR O 1.900 . 2.300 2.271 2.271 2.271 . 0 0 "[ ]" 2
22 1 75 GLU H 1 91 TYR O 1.900 . 2.300 2.191 2.191 2.191 . 0 0 "[ ]" 2
23 1 75 GLU O 1 91 TYR H 1.900 . 2.300 2.244 2.244 2.244 . 0 0 "[ ]" 2
24 1 94 ALA H 1 97 LYS O 1.900 . 2.300 2.167 2.167 2.167 . 0 0 "[ ]" 2
25 1 94 ALA O 1 97 LYS H 1.900 . 2.300 2.100 2.100 2.100 . 0 0 "[ ]" 2
26 1 92 ILE O 1 99 VAL H 1.900 . 2.300 2.108 2.108 2.108 . 0 0 "[ ]" 2
27 1 57 GLU O 1 61 PHE H 1.900 . 2.300 2.099 2.099 2.099 . 0 0 "[ ]" 2
28 1 58 ALA O 1 62 THR H 1.900 . 2.300 2.235 2.235 2.235 . 0 0 "[ ]" 2
29 1 59 SER O 1 63 LYS H 1.900 . 2.300 2.185 2.185 2.185 . 0 0 "[ ]" 2
30 1 60 ALA O 1 64 LYS H 1.900 . 2.300 2.102 2.102 2.102 . 0 0 "[ ]" 2
31 1 61 PHE O 1 65 MET H 1.900 . 2.300 2.119 2.119 2.119 . 0 0 "[ ]" 2
32 1 62 THR O 1 66 VAL H 1.900 . 2.300 2.309 2.309 2.309 0.009 1 0 "[ ]" 2
33 1 63 LYS O 1 67 GLU H 1.900 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 2
34 1 64 LYS O 1 68 ASN H 1.900 . 2.300 2.220 2.220 2.220 . 0 0 "[ ]" 2
35 1 65 MET O 1 69 ALA H 1.900 . 2.300 2.180 2.180 2.180 . 0 0 "[ ]" 2
36 1 98 MET O 1 102 ALA H 1.900 . 2.300 2.153 2.153 2.153 . 0 0 "[ ]" 2
37 1 99 VAL O 1 103 LEU H 1.900 . 2.300 2.115 2.115 2.115 . 0 0 "[ ]" 2
38 1 100 ASN O 1 104 VAL H 1.900 . 2.300 2.206 2.206 2.206 . 0 0 "[ ]" 2
39 1 101 GLU O 1 105 ARG H 1.900 . 2.300 2.272 2.272 2.272 . 0 0 "[ ]" 2
40 1 102 ALA O 1 106 GLN H 1.900 . 2.300 2.249 2.249 2.249 . 0 0 "[ ]" 2
41 1 122 GLU O 1 126 ARG H 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2
42 1 124 LEU O 1 128 SER H 1.900 . 2.300 2.293 2.293 2.293 . 0 0 "[ ]" 2
43 1 123 GLN O 1 127 LYS H 1.900 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 2
44 1 130 ALA O 1 134 LYS H 1.900 . 2.300 2.106 2.106 2.106 . 0 0 "[ ]" 2
45 1 131 GLN O 1 135 GLU H 1.900 . 2.300 2.260 2.260 2.260 . 0 0 "[ ]" 2
46 1 132 ALA O 1 136 LYS H 1.900 . 2.300 2.317 2.317 2.317 0.017 1 0 "[ ]" 2
47 1 125 LEU O 1 129 GLU H 1.900 . 2.300 2.169 2.169 2.169 . 0 0 "[ ]" 2
48 1 126 ARG O 1 130 ALA H 1.900 . 2.300 2.282 2.282 2.282 . 0 0 "[ ]" 2
49 1 127 LYS O 1 131 GLN H 1.900 . 2.300 2.178 2.178 2.178 . 0 0 "[ ]" 2
50 1 128 SER O 1 132 ALA H 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2
51 1 129 GLU O 1 133 LYS H 1.900 . 2.300 2.242 2.242 2.242 . 0 0 "[ ]" 2
52 1 33 THR O 1 88 GLY H 1.900 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 2
53 1 18 ILE H 1 22 THR O 1.900 . 2.300 2.197 2.197 2.197 . 0 0 "[ ]" 2
54 1 21 ASP O 1 36 LEU H 1.900 . 2.300 2.262 2.262 2.262 . 0 0 "[ ]" 2
55 1 19 ASP H 1 22 THR O 1.900 . 2.300 2.160 2.160 2.160 . 0 0 "[ ]" 2
56 1 37 LEU H 1 90 ALA O 1.900 . 2.300 2.271 2.271 2.271 . 0 0 "[ ]" 2
57 1 12 ALA N 1 72 ILE O 2.900 2.400 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 2
58 1 13 THR O 1 26 MET N 2.900 2.400 3.300 2.984 2.984 2.984 . 0 0 "[ ]" 2
59 1 13 THR N 1 26 MET O 2.900 2.400 3.300 3.283 3.283 3.283 . 0 0 "[ ]" 2
60 1 23 VAL N 1 34 PHE O 2.900 2.400 3.300 3.127 3.127 3.127 . 0 0 "[ ]" 2
61 1 25 LEU N 1 32 MET O 2.900 2.400 3.300 3.159 3.159 3.159 . 0 0 "[ ]" 2
62 1 27 TYR N 1 30 GLN O 2.900 2.400 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 2
63 1 27 TYR O 1 30 GLN N 2.900 2.400 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 2
64 1 25 LEU O 1 32 MET N 2.900 2.400 3.300 3.279 3.279 3.279 . 0 0 "[ ]" 2
65 1 23 VAL O 1 34 PHE N 2.900 2.400 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 2
66 1 35 ARG N 1 88 GLY O 2.900 2.400 3.300 3.132 3.132 3.132 . 0 0 "[ ]" 2
67 1 38 LEU O 1 112 ALA N 2.900 2.400 3.300 3.172 3.172 3.172 . 0 0 "[ ]" 2
68 1 40 ASP N 1 110 LYS O 2.900 2.400 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 2
69 1 40 ASP O 1 110 LYS N 2.900 2.400 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 2
70 1 16 LYS O 1 24 LYS N 2.900 2.400 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 2
71 1 16 LYS N 1 24 LYS O 2.900 2.400 3.300 3.195 3.195 3.195 . 0 0 "[ ]" 2
72 1 81 ARG O 1 89 LEU N 2.900 2.400 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 2
73 1 83 ASP N 1 87 ARG O 2.900 2.400 3.300 3.016 3.016 3.016 . 0 0 "[ ]" 2
74 1 10 GLU N 1 74 VAL O 2.900 2.400 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 2
75 1 10 GLU O 1 74 VAL N 2.900 2.400 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 2
76 1 73 GLU O 1 93 TYR N 2.900 2.400 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 2
77 1 73 GLU N 1 93 TYR O 2.900 2.400 3.300 3.234 3.234 3.234 . 0 0 "[ ]" 2
78 1 75 GLU N 1 91 TYR O 2.900 2.400 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 2
79 1 75 GLU O 1 91 TYR N 2.900 2.400 3.300 3.189 3.189 3.189 . 0 0 "[ ]" 2
80 1 94 ALA N 1 97 LYS O 2.900 2.400 3.300 2.794 2.794 2.794 . 0 0 "[ ]" 2
81 1 94 ALA O 1 97 LYS N 2.900 2.400 3.300 2.953 2.953 2.953 . 0 0 "[ ]" 2
82 1 92 ILE O 1 99 VAL N 2.900 2.400 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 2
83 1 57 GLU O 1 61 PHE N 2.900 2.400 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 2
84 1 58 ALA O 1 62 THR N 2.900 2.400 3.300 2.950 2.950 2.950 . 0 0 "[ ]" 2
85 1 59 SER O 1 63 LYS N 2.900 2.400 3.300 3.130 3.130 3.130 . 0 0 "[ ]" 2
86 1 60 ALA O 1 64 LYS N 2.900 2.400 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 2
87 1 61 PHE O 1 65 MET N 2.900 2.400 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2
88 1 62 THR O 1 66 VAL N 2.900 2.400 3.300 3.121 3.121 3.121 . 0 0 "[ ]" 2
89 1 63 LYS O 1 67 GLU N 2.900 2.400 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 2
90 1 64 LYS O 1 68 ASN N 2.900 2.400 3.300 3.094 3.094 3.094 . 0 0 "[ ]" 2
91 1 65 MET O 1 69 ALA N 2.900 2.400 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 2
92 1 98 MET O 1 102 ALA N 2.900 2.400 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
93 1 99 VAL O 1 103 LEU N 2.900 2.400 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 2
94 1 100 ASN O 1 104 VAL N 2.900 2.400 3.300 3.106 3.106 3.106 . 0 0 "[ ]" 2
95 1 101 GLU O 1 105 ARG N 2.900 2.400 3.300 3.139 3.139 3.139 . 0 0 "[ ]" 2
96 1 102 ALA O 1 106 GLN N 2.900 2.400 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 2
97 1 122 GLU O 1 126 ARG N 2.900 2.400 3.300 3.008 3.008 3.008 . 0 0 "[ ]" 2
98 1 124 LEU O 1 128 SER N 2.900 2.400 3.300 3.259 3.259 3.259 . 0 0 "[ ]" 2
99 1 123 GLN O 1 127 LYS N 2.900 2.400 3.300 3.164 3.164 3.164 . 0 0 "[ ]" 2
100 1 130 ALA O 1 134 LYS N 2.900 2.400 3.300 2.782 2.782 2.782 . 0 0 "[ ]" 2
101 1 131 GLN O 1 135 GLU N 2.900 2.400 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 2
102 1 132 ALA O 1 136 LYS N 2.900 2.400 3.300 2.975 2.975 2.975 . 0 0 "[ ]" 2
103 1 125 LEU O 1 129 GLU N 2.900 2.400 3.300 3.096 3.096 3.096 . 0 0 "[ ]" 2
104 1 126 ARG O 1 130 ALA N 2.900 2.400 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 2
105 1 127 LYS O 1 131 GLN N 2.900 2.400 3.300 3.062 3.062 3.062 . 0 0 "[ ]" 2
106 1 128 SER O 1 132 ALA N 2.900 2.400 3.300 3.133 3.133 3.133 . 0 0 "[ ]" 2
107 1 129 GLU O 1 133 LYS N 2.900 2.400 3.300 3.161 3.161 3.161 . 0 0 "[ ]" 2
108 1 33 THR O 1 88 GLY N 2.900 2.400 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 2
109 1 18 ILE N 1 22 THR O 2.900 2.400 3.300 3.132 3.132 3.132 . 0 0 "[ ]" 2
110 1 21 ASP O 1 36 LEU N 2.900 2.400 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 2
111 1 19 ASP N 1 22 THR O 2.900 2.400 3.300 3.052 3.052 3.052 . 0 0 "[ ]" 2
112 1 37 LEU N 1 90 ALA O 2.900 2.400 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 2
stop_
save_
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