NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
383628 |
1k1z   |
5179 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k1z
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 1133
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 0.870
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0396
_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 4 ASP 0.000 0.000 . 0 "[ ]"
1 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 LYS 0.000 0.000 . 0 "[ ]"
1 8 ASN 0.000 0.000 . 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 LEU 0.000 0.000 . 0 "[ ]"
1 11 GLY 0.000 0.000 . 0 "[ ]"
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 PRO 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.039 0.039 1 0 "[ ]"
1 15 MET 0.110 0.071 1 0 "[ ]"
1 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 VAL 0.009 0.009 1 0 "[ ]"
1 18 PHE 0.000 0.000 . 0 "[ ]"
1 19 GLN 0.030 0.030 1 0 "[ ]"
1 20 GLU 0.000 0.000 . 0 "[ ]"
1 21 TYR 0.000 0.000 . 0 "[ ]"
1 22 TYR 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 ILE 0.000 0.000 . 0 "[ ]"
1 25 PRO 0.000 0.000 . 0 "[ ]"
1 26 PRO 0.000 0.000 . 0 "[ ]"
1 27 PRO 0.000 0.000 . 0 "[ ]"
1 28 PRO 0.000 0.000 . 0 "[ ]"
1 29 GLY 0.000 0.000 . 0 "[ ]"
1 30 ALA 0.000 0.000 . 0 "[ ]"
1 31 PHE 0.196 0.196 1 0 "[ ]"
1 32 GLY 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.019 0.019 1 0 "[ ]"
1 34 PHE 0.027 0.019 1 0 "[ ]"
1 35 LEU 0.000 0.000 . 0 "[ ]"
1 36 ARG 0.009 0.009 1 0 "[ ]"
1 37 LEU 0.022 0.022 1 0 "[ ]"
1 38 ASN 0.022 0.022 1 0 "[ ]"
1 39 PRO 0.000 0.000 . 0 "[ ]"
1 40 GLY 0.048 0.048 1 0 "[ ]"
1 41 ASP 0.013 0.013 1 0 "[ ]"
1 42 ILE 0.268 0.150 1 0 "[ ]"
1 43 VAL 0.027 0.014 1 0 "[ ]"
1 44 GLU 0.000 0.000 . 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 46 THR 0.000 0.000 . 0 "[ ]"
1 47 LYS 0.143 0.136 1 0 "[ ]"
1 48 ALA 0.000 0.000 . 0 "[ ]"
1 49 GLU 0.000 0.000 . 0 "[ ]"
1 50 ALA 0.013 0.013 1 0 "[ ]"
1 51 GLU 0.001 0.001 1 0 "[ ]"
1 52 HIS 0.032 0.018 1 0 "[ ]"
1 53 ASN 0.000 0.000 . 0 "[ ]"
1 54 TRP 0.000 0.000 . 0 "[ ]"
1 55 TRP 0.040 0.022 1 0 "[ ]"
1 56 GLU 0.176 0.136 1 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.010 0.010 1 0 "[ ]"
1 59 ASN 0.014 0.014 1 0 "[ ]"
1 60 THR 0.000 0.000 . 0 "[ ]"
1 61 ALA 0.000 0.000 . 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 ASN 0.010 0.010 1 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.018 0.018 1 0 "[ ]"
1 66 GLY 0.000 0.000 . 0 "[ ]"
1 67 TRP 0.007 0.007 1 0 "[ ]"
1 68 PHE 0.000 0.000 . 0 "[ ]"
1 69 PRO 0.000 0.000 . 0 "[ ]"
1 70 CYS 0.000 0.000 . 0 "[ ]"
1 71 ASN 0.000 0.000 . 0 "[ ]"
1 72 ARG 0.007 0.007 1 0 "[ ]"
1 73 VAL 0.000 0.000 . 0 "[ ]"
1 74 HIS 0.047 0.030 1 0 "[ ]"
1 75 PRO 0.000 0.000 . 0 "[ ]"
1 76 TYR 0.000 0.000 . 0 "[ ]"
1 77 VAL 0.000 0.000 . 0 "[ ]"
1 78 HIS 0.000 0.000 . 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 4 ASP HA 1 5 LYS H 3.900 . 5.800 2.893 2.893 2.893 . 0 0 "[ ]" 1
2 1 4 ASP HA 1 8 ASN HD21 4.000 . 6.000 5.512 5.512 5.512 . 0 0 "[ ]" 1
3 1 4 ASP HA 1 8 ASN HD22 4.200 . 6.000 5.749 5.749 5.749 . 0 0 "[ ]" 1
4 1 5 LYS HA 1 5 LYS HB2 2.900 . 4.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
5 1 5 LYS HB2 1 6 LYS H 3.500 . 5.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
6 1 8 ASN HA 1 8 ASN QB 2.600 . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
7 1 9 GLU HA 1 9 GLU HB2 3.000 . 4.100 2.636 2.636 2.636 . 0 0 "[ ]" 1
8 1 9 GLU HA 1 9 GLU HB3 2.800 . 3.800 2.298 2.298 2.298 . 0 0 "[ ]" 1
9 1 9 GLU HA 1 10 LEU H 2.600 . 3.500 2.303 2.303 2.303 . 0 0 "[ ]" 1
10 1 9 GLU HB2 1 10 LEU H 4.300 . 6.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
11 1 9 GLU HB3 1 10 LEU H 4.100 . 6.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
12 1 10 LEU H 1 10 LEU MD1 4.300 . 6.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
13 1 10 LEU H 1 10 LEU HG 2.800 . 3.800 2.097 2.097 2.097 . 0 0 "[ ]" 1
14 1 10 LEU H 1 12 LEU HA 4.200 . 6.000 5.104 5.104 5.104 . 0 0 "[ ]" 1
15 1 10 LEU HA 1 10 LEU HB2 2.700 . 3.600 2.548 2.548 2.548 . 0 0 "[ ]" 1
16 1 10 LEU HA 1 10 LEU HB2 2.500 . 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 1
17 1 10 LEU HA 1 10 LEU HB3 2.900 . 4.000 2.336 2.336 2.336 . 0 0 "[ ]" 1
18 1 10 LEU HA 1 10 LEU MD2 3.800 . 5.600 3.661 3.661 3.661 . 0 0 "[ ]" 1
19 1 10 LEU HA 1 11 GLY H 3.200 . 4.400 2.430 2.430 2.430 . 0 0 "[ ]" 1
20 1 10 LEU HB2 1 10 LEU MD2 3.300 . 4.700 3.007 3.007 3.007 . 0 0 "[ ]" 1
21 1 10 LEU HB3 1 10 LEU QD 2.800 . 3.800 2.070 2.070 2.070 . 0 0 "[ ]" 1
22 1 10 LEU HB3 1 11 GLY H 4.100 . 6.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
23 1 11 GLY H 1 12 LEU H 3.600 . 5.200 2.385 2.385 2.385 . 0 0 "[ ]" 1
24 1 11 GLY H 1 12 LEU HA 4.700 . 6.000 5.067 5.067 5.067 . 0 0 "[ ]" 1
25 1 11 GLY QA 1 12 LEU H 2.700 . 3.600 2.885 2.885 2.885 . 0 0 "[ ]" 1
26 1 12 LEU H 1 12 LEU HA 2.900 . 3.900 2.908 2.908 2.908 . 0 0 "[ ]" 1
27 1 12 LEU H 1 12 LEU HB2 2.200 . 2.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
28 1 12 LEU H 1 12 LEU MD1 3.700 . 5.400 4.033 4.033 4.033 . 0 0 "[ ]" 1
29 1 12 LEU H 1 12 LEU MD2 3.800 . 5.600 2.689 2.689 2.689 . 0 0 "[ ]" 1
30 1 12 LEU H 1 13 PRO HD2 4.400 . 6.000 5.283 5.283 5.283 . 0 0 "[ ]" 1
31 1 12 LEU HA 1 12 LEU HB2 2.500 . 3.300 2.959 2.959 2.959 . 0 0 "[ ]" 1
32 1 12 LEU HA 1 12 LEU HB3 2.600 . 3.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
33 1 12 LEU HA 1 13 PRO HD2 2.400 . 3.100 2.652 2.652 2.652 . 0 0 "[ ]" 1
34 1 12 LEU HA 1 13 PRO HD3 2.200 . 2.800 1.891 1.891 1.891 . 0 0 "[ ]" 1
35 1 12 LEU HB2 1 12 LEU MD1 2.800 . 3.800 3.197 3.197 3.197 . 0 0 "[ ]" 1
36 1 12 LEU HB2 1 12 LEU MD2 2.800 . 3.800 2.323 2.323 2.323 . 0 0 "[ ]" 1
37 1 12 LEU HB2 1 13 PRO HD2 3.300 . 4.700 4.622 4.622 4.622 . 0 0 "[ ]" 1
38 1 12 LEU HB2 1 13 PRO HD3 3.600 . 5.200 4.686 4.686 4.686 . 0 0 "[ ]" 1
39 1 12 LEU HB3 1 12 LEU MD1 2.600 . 3.400 2.446 2.446 2.446 . 0 0 "[ ]" 1
40 1 12 LEU HB3 1 12 LEU MD2 3.000 . 4.100 3.196 3.196 3.196 . 0 0 "[ ]" 1
41 1 12 LEU HB3 1 13 PRO HD2 4.200 . 6.000 3.259 3.259 3.259 . 0 0 "[ ]" 1
42 1 12 LEU HB3 1 13 PRO HD3 4.100 . 6.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
43 1 12 LEU MD2 1 13 PRO HD3 3.500 . 5.100 3.877 3.877 3.877 . 0 0 "[ ]" 1
44 1 13 PRO HA 1 13 PRO HB3 2.400 . 3.100 2.289 2.289 2.289 . 0 0 "[ ]" 1
45 1 13 PRO HA 1 13 PRO HD2 3.700 . 5.400 3.927 3.927 3.927 . 0 0 "[ ]" 1
46 1 13 PRO HA 1 13 PRO QG 3.400 . 4.800 2.948 2.948 2.948 . 0 0 "[ ]" 1
47 1 13 PRO HA 1 14 LYS H 2.100 . 2.700 2.222 2.222 2.222 . 0 0 "[ ]" 1
48 1 13 PRO HB2 1 13 PRO HD2 3.400 . 4.900 2.939 2.939 2.939 . 0 0 "[ ]" 1
49 1 13 PRO HB2 1 13 PRO HD3 4.100 . 6.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
50 1 13 PRO HB2 1 45 LEU H 2.800 . 3.800 1.978 1.978 1.978 . 0 0 "[ ]" 1
51 1 13 PRO HB3 1 13 PRO HD2 4.200 . 6.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
52 1 13 PRO HB3 1 13 PRO HD3 4.200 . 6.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
53 1 13 PRO HB3 1 14 LYS H 3.100 . 4.300 3.253 3.253 3.253 . 0 0 "[ ]" 1
54 1 13 PRO HD2 1 13 PRO QG 2.600 . 3.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
55 1 13 PRO HD2 1 45 LEU H 3.500 . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
56 1 13 PRO HD3 1 13 PRO QG 2.500 . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
57 1 14 LYS H 1 14 LYS HA 2.800 . 3.800 2.924 2.924 2.924 . 0 0 "[ ]" 1
58 1 14 LYS H 1 14 LYS HB2 3.100 . 4.300 2.699 2.699 2.699 . 0 0 "[ ]" 1
59 1 14 LYS H 1 14 LYS HG3 3.200 . 4.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
60 1 14 LYS H 1 15 MET H 4.400 . 6.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
61 1 14 LYS H 1 15 MET HA 4.200 . 6.000 4.834 4.834 4.834 . 0 0 "[ ]" 1
62 1 14 LYS H 1 15 MET HG2 3.900 . 5.800 3.645 3.645 3.645 . 0 0 "[ ]" 1
63 1 14 LYS H 1 42 ILE MG 4.700 . 6.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
64 1 14 LYS H 1 77 VAL H 3.800 . 5.600 4.811 4.811 4.811 . 0 0 "[ ]" 1
65 1 14 LYS HA 1 14 LYS HB2 2.900 . 3.900 3.010 3.010 3.010 . 0 0 "[ ]" 1
66 1 14 LYS HA 1 14 LYS HB3 2.700 . 3.600 2.571 2.571 2.571 . 0 0 "[ ]" 1
67 1 14 LYS HA 1 14 LYS HG3 2.700 . 3.600 2.483 2.483 2.483 . 0 0 "[ ]" 1
68 1 14 LYS HA 1 15 MET H 2.100 . 2.700 2.210 2.210 2.210 . 0 0 "[ ]" 1
69 1 14 LYS HA 1 44 GLU HA 2.400 . 3.100 3.006 3.006 3.006 . 0 0 "[ ]" 1
70 1 14 LYS HA 1 44 GLU QG 3.600 . 5.200 3.600 3.600 3.600 . 0 0 "[ ]" 1
71 1 14 LYS HB2 1 14 LYS HG3 2.600 . 3.400 2.692 2.692 2.692 . 0 0 "[ ]" 1
72 1 14 LYS HB2 1 42 ILE MG 3.500 . 5.100 3.389 3.389 3.389 . 0 0 "[ ]" 1
73 1 14 LYS HB2 1 76 TYR HB2 3.400 . 4.800 4.625 4.625 4.625 . 0 0 "[ ]" 1
74 1 14 LYS HB2 1 76 TYR QD 3.500 . 5.000 3.559 3.559 3.559 . 0 0 "[ ]" 1
75 1 14 LYS HB3 1 76 TYR QD 2.800 . 3.800 3.513 3.513 3.513 . 0 0 "[ ]" 1
76 1 14 LYS HB3 1 42 ILE MG 2.700 . 3.600 1.957 1.957 1.957 . 0 0 "[ ]" 1
77 1 14 LYS HB3 1 76 TYR HB2 3.300 . 4.700 3.670 3.670 3.670 . 0 0 "[ ]" 1
78 1 14 LYS HB3 1 76 TYR HB3 3.300 . 4.700 2.933 2.933 2.933 . 0 0 "[ ]" 1
79 1 14 LYS QD 1 14 LYS QE 2.100 . 2.600 2.012 2.012 2.012 . 0 0 "[ ]" 1
80 1 14 LYS HD2 1 15 MET H 3.000 . 4.100 4.139 4.139 4.139 0.039 1 0 "[ ]" 1
81 1 14 LYS QE 1 14 LYS HG3 2.900 . 3.900 3.258 3.258 3.258 . 0 0 "[ ]" 1
82 1 14 LYS HG3 1 15 MET H 4.400 . 6.000 4.493 4.493 4.493 . 0 0 "[ ]" 1
83 1 14 LYS HG3 1 42 ILE MG 3.800 . 5.600 3.249 3.249 3.249 . 0 0 "[ ]" 1
84 1 14 LYS HG3 1 44 GLU HA 3.300 . 4.700 4.077 4.077 4.077 . 0 0 "[ ]" 1
85 1 14 LYS HG3 1 44 GLU QG 3.300 . 4.700 3.129 3.129 3.129 . 0 0 "[ ]" 1
86 1 15 MET H 1 15 MET HA 2.700 . 3.600 2.929 2.929 2.929 . 0 0 "[ ]" 1
87 1 15 MET H 1 15 MET ME 3.900 . 5.800 5.254 5.254 5.254 . 0 0 "[ ]" 1
88 1 15 MET H 1 15 MET HG2 3.200 . 4.500 3.320 3.320 3.320 . 0 0 "[ ]" 1
89 1 15 MET H 1 15 MET HG3 3.200 . 4.500 3.637 3.637 3.637 . 0 0 "[ ]" 1
90 1 15 MET H 1 16 GLU H 4.200 . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
91 1 15 MET H 1 42 ILE H 4.600 . 6.000 6.071 6.071 6.071 0.071 1 0 "[ ]" 1
92 1 15 MET H 1 42 ILE HA 3.500 . 5.100 3.354 3.354 3.354 . 0 0 "[ ]" 1
93 1 15 MET H 1 42 ILE MG 3.000 . 4.100 2.446 2.446 2.446 . 0 0 "[ ]" 1
94 1 15 MET H 1 43 VAL H 2.800 . 3.800 2.217 2.217 2.217 . 0 0 "[ ]" 1
95 1 15 MET H 1 43 VAL MG1 4.100 . 6.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
96 1 15 MET H 1 45 LEU H 4.300 . 6.000 5.655 5.655 5.655 . 0 0 "[ ]" 1
97 1 15 MET HA 1 15 MET HB2 2.700 . 3.600 3.023 3.023 3.023 . 0 0 "[ ]" 1
98 1 15 MET HA 1 15 MET HB3 2.400 . 3.100 2.432 2.432 2.432 . 0 0 "[ ]" 1
99 1 15 MET HA 1 15 MET HG3 3.300 . 4.700 3.716 3.716 3.716 . 0 0 "[ ]" 1
100 1 15 MET HA 1 16 GLU H 2.200 . 2.800 2.275 2.275 2.275 . 0 0 "[ ]" 1
101 1 15 MET HA 1 17 VAL H 4.700 . 6.000 5.975 5.975 5.975 . 0 0 "[ ]" 1
102 1 15 MET HA 1 75 PRO HA 2.500 . 3.300 2.291 2.291 2.291 . 0 0 "[ ]" 1
103 1 15 MET HA 1 76 TYR H 2.300 . 3.000 1.669 1.669 1.669 . 0 0 "[ ]" 1
104 1 15 MET HA 1 76 TYR HB3 3.900 . 5.800 3.308 3.308 3.308 . 0 0 "[ ]" 1
105 1 15 MET HB2 1 15 MET HG3 3.000 . 4.100 2.207 2.207 2.207 . 0 0 "[ ]" 1
106 1 15 MET HB2 1 16 GLU H 3.100 . 4.300 3.789 3.789 3.789 . 0 0 "[ ]" 1
107 1 15 MET HB2 1 43 VAL MG1 3.300 . 4.600 2.087 2.087 2.087 . 0 0 "[ ]" 1
108 1 15 MET HB2 1 73 VAL MG2 3.200 . 4.400 3.637 3.637 3.637 . 0 0 "[ ]" 1
109 1 15 MET HB2 1 74 HIS H 3.600 . 5.200 5.126 5.126 5.126 . 0 0 "[ ]" 1
110 1 15 MET HB3 1 43 VAL H 3.300 . 4.700 4.690 4.690 4.690 . 0 0 "[ ]" 1
111 1 15 MET HB3 1 43 VAL MG1 3.500 . 5.000 3.461 3.461 3.461 . 0 0 "[ ]" 1
112 1 15 MET HB3 1 73 VAL MG2 3.000 . 4.200 3.257 3.257 3.257 . 0 0 "[ ]" 1
113 1 15 MET HB3 1 76 TYR H 4.000 . 6.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
114 1 15 MET ME 1 15 MET HG3 2.900 . 3.900 2.353 2.353 2.353 . 0 0 "[ ]" 1
115 1 15 MET ME 1 75 PRO HA 3.100 . 4.300 3.643 3.643 3.643 . 0 0 "[ ]" 1
116 1 15 MET HG3 1 16 GLU H 5.000 . 6.000 5.257 5.257 5.257 . 0 0 "[ ]" 1
117 1 15 MET HG3 1 73 VAL MG2 3.700 . 5.400 4.084 4.084 4.084 . 0 0 "[ ]" 1
118 1 16 GLU H 1 16 GLU HB2 2.600 . 3.400 2.698 2.698 2.698 . 0 0 "[ ]" 1
119 1 16 GLU H 1 17 VAL H 4.400 . 6.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
120 1 16 GLU H 1 42 ILE MD 4.400 . 6.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
121 1 16 GLU H 1 43 VAL H 3.700 . 5.400 5.015 5.015 5.015 . 0 0 "[ ]" 1
122 1 16 GLU H 1 73 VAL HA 4.100 . 6.000 5.763 5.763 5.763 . 0 0 "[ ]" 1
123 1 16 GLU H 1 73 VAL MG2 4.100 . 6.000 5.099 5.099 5.099 . 0 0 "[ ]" 1
124 1 16 GLU H 1 74 HIS H 2.800 . 3.800 3.670 3.670 3.670 . 0 0 "[ ]" 1
125 1 16 GLU H 1 74 HIS HD2 3.600 . 5.200 4.471 4.471 4.471 . 0 0 "[ ]" 1
126 1 16 GLU H 1 75 PRO HA 3.700 . 5.400 3.422 3.422 3.422 . 0 0 "[ ]" 1
127 1 16 GLU H 1 76 TYR H 3.700 . 5.400 3.034 3.034 3.034 . 0 0 "[ ]" 1
128 1 16 GLU H 1 76 TYR HA 3.800 . 5.600 3.468 3.468 3.468 . 0 0 "[ ]" 1
129 1 16 GLU H 1 76 TYR QD 4.300 . 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
130 1 16 GLU HA 1 16 GLU HB2 2.400 . 3.100 2.454 2.454 2.454 . 0 0 "[ ]" 1
131 1 16 GLU HA 1 16 GLU HB3 2.700 . 3.600 2.378 2.378 2.378 . 0 0 "[ ]" 1
132 1 16 GLU HA 1 16 GLU HG2 3.200 . 4.500 3.705 3.705 3.705 . 0 0 "[ ]" 1
133 1 16 GLU HA 1 16 GLU HG3 2.900 . 3.900 3.780 3.780 3.780 . 0 0 "[ ]" 1
134 1 16 GLU HA 1 17 VAL H 2.200 . 2.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
135 1 16 GLU HA 1 41 ASP H 3.900 . 5.800 3.972 3.972 3.972 . 0 0 "[ ]" 1
136 1 16 GLU HA 1 42 ILE H 4.300 . 6.000 4.732 4.732 4.732 . 0 0 "[ ]" 1
137 1 16 GLU HA 1 42 ILE HA 2.400 . 3.100 2.866 2.866 2.866 . 0 0 "[ ]" 1
138 1 16 GLU HA 1 43 VAL H 3.400 . 4.900 4.076 4.076 4.076 . 0 0 "[ ]" 1
139 1 16 GLU HA 1 74 HIS H 4.200 . 6.000 5.196 5.196 5.196 . 0 0 "[ ]" 1
140 1 16 GLU HB2 1 17 VAL H 3.100 . 4.300 3.293 3.293 3.293 . 0 0 "[ ]" 1
141 1 16 GLU HB2 1 40 GLY HA2 3.300 . 4.700 3.492 3.492 3.492 . 0 0 "[ ]" 1
142 1 16 GLU HB2 1 42 ILE MD 2.600 . 3.400 3.296 3.296 3.296 . 0 0 "[ ]" 1
143 1 16 GLU HB2 1 76 TYR HA 3.100 . 4.300 2.176 2.176 2.176 . 0 0 "[ ]" 1
144 1 16 GLU HB2 1 40 GLY HA3 3.600 . 5.300 5.178 5.178 5.178 . 0 0 "[ ]" 1
145 1 16 GLU HB2 1 41 ASP H 4.100 . 6.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
146 1 16 GLU HB2 1 74 HIS HD2 3.200 . 4.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
147 1 16 GLU HB2 1 76 TYR HB3 4.100 . 6.000 5.532 5.532 5.532 . 0 0 "[ ]" 1
148 1 16 GLU HB2 1 74 HIS HD2 3.500 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
149 1 16 GLU HB2 1 76 TYR HA 3.300 . 4.700 4.695 4.695 4.695 . 0 0 "[ ]" 1
150 1 16 GLU HB3 1 17 VAL H 3.500 . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
151 1 16 GLU HB3 1 42 ILE H 4.500 . 6.000 5.888 5.888 5.888 . 0 0 "[ ]" 1
152 1 16 GLU HB3 1 42 ILE MD 3.700 . 5.400 2.462 2.462 2.462 . 0 0 "[ ]" 1
153 1 16 GLU HB3 1 76 TYR HA 3.300 . 4.600 3.470 3.470 3.470 . 0 0 "[ ]" 1
154 1 16 GLU HB3 1 76 TYR QD 3.600 . 5.200 2.445 2.445 2.445 . 0 0 "[ ]" 1
155 1 16 GLU HG2 1 42 ILE MD 3.300 . 4.700 4.085 4.085 4.085 . 0 0 "[ ]" 1
156 1 16 GLU HG2 1 76 TYR H 4.300 . 6.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
157 1 17 VAL H 1 17 VAL HA 3.000 . 4.100 2.816 2.816 2.816 . 0 0 "[ ]" 1
158 1 17 VAL H 1 17 VAL HB 2.500 . 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 1
159 1 17 VAL H 1 17 VAL MG1 2.900 . 4.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
160 1 17 VAL H 1 17 VAL MG2 2.900 . 3.900 1.891 1.891 1.891 0.009 1 0 "[ ]" 1
161 1 17 VAL H 1 39 PRO HA 4.100 . 6.000 4.525 4.525 4.525 . 0 0 "[ ]" 1
162 1 17 VAL H 1 40 GLY H 3.200 . 4.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
163 1 17 VAL H 1 40 GLY HA3 4.000 . 6.000 5.746 5.746 5.746 . 0 0 "[ ]" 1
164 1 17 VAL H 1 41 ASP H 3.100 . 4.300 2.880 2.880 2.880 . 0 0 "[ ]" 1
165 1 17 VAL H 1 41 ASP QB 3.900 . 5.800 3.584 3.584 3.584 . 0 0 "[ ]" 1
166 1 17 VAL H 1 42 ILE H 4.200 . 6.000 5.220 5.220 5.220 . 0 0 "[ ]" 1
167 1 17 VAL H 1 42 ILE HA 3.300 . 4.600 4.097 4.097 4.097 . 0 0 "[ ]" 1
168 1 17 VAL H 1 42 ILE MD 4.000 . 6.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
169 1 17 VAL H 1 43 VAL H 4.300 . 6.000 4.893 4.893 4.893 . 0 0 "[ ]" 1
170 1 17 VAL H 1 73 VAL HA 4.500 . 6.000 5.537 5.537 5.537 . 0 0 "[ ]" 1
171 1 17 VAL HA 1 17 VAL HB 3.000 . 4.100 3.012 3.012 3.012 . 0 0 "[ ]" 1
172 1 17 VAL HA 1 17 VAL MG1 2.500 . 3.300 2.321 2.321 2.321 . 0 0 "[ ]" 1
173 1 17 VAL HA 1 18 PHE H 2.200 . 2.800 2.211 2.211 2.211 . 0 0 "[ ]" 1
174 1 17 VAL HA 1 19 GLN H 3.500 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
175 1 17 VAL HA 1 40 GLY H 4.200 . 6.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
176 1 17 VAL HA 1 41 ASP H 4.400 . 6.000 5.137 5.137 5.137 . 0 0 "[ ]" 1
177 1 17 VAL HA 1 73 VAL HA 2.400 . 3.100 2.951 2.951 2.951 . 0 0 "[ ]" 1
178 1 17 VAL HA 1 73 VAL HB 3.200 . 4.400 2.967 2.967 2.967 . 0 0 "[ ]" 1
179 1 17 VAL HA 1 73 VAL MG2 3.800 . 5.600 4.325 4.325 4.325 . 0 0 "[ ]" 1
180 1 17 VAL HA 1 74 HIS H 3.300 . 4.700 3.533 3.533 3.533 . 0 0 "[ ]" 1
181 1 17 VAL HB 1 17 VAL MG1 2.200 . 2.800 2.109 2.109 2.109 . 0 0 "[ ]" 1
182 1 17 VAL HB 1 17 VAL MG2 2.200 . 2.800 2.126 2.126 2.126 . 0 0 "[ ]" 1
183 1 17 VAL HB 1 38 ASN H 3.800 . 5.600 3.262 3.262 3.262 . 0 0 "[ ]" 1
184 1 17 VAL HB 1 39 PRO HA 2.800 . 3.800 2.948 2.948 2.948 . 0 0 "[ ]" 1
185 1 17 VAL HB 1 41 ASP H 2.500 . 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 1
186 1 17 VAL MG1 1 18 PHE HA 3.800 . 5.600 3.924 3.924 3.924 . 0 0 "[ ]" 1
187 1 17 VAL MG1 1 20 GLU H 3.900 . 5.800 4.686 4.686 4.686 . 0 0 "[ ]" 1
188 1 17 VAL MG1 1 37 LEU HB3 2.700 . 3.600 1.931 1.931 1.931 . 0 0 "[ ]" 1
189 1 17 VAL MG1 1 40 GLY H 3.300 . 4.700 4.357 4.357 4.357 . 0 0 "[ ]" 1
190 1 17 VAL MG1 1 73 VAL HA 3.800 . 5.600 3.804 3.804 3.804 . 0 0 "[ ]" 1
191 1 17 VAL MG2 1 18 PHE H 3.500 . 5.100 4.078 4.078 4.078 . 0 0 "[ ]" 1
192 1 17 VAL MG2 1 19 GLN H 3.900 . 5.800 4.810 4.810 4.810 . 0 0 "[ ]" 1
193 1 17 VAL MG2 1 37 LEU HB2 3.300 . 4.700 3.523 3.523 3.523 . 0 0 "[ ]" 1
194 1 17 VAL MG2 1 37 LEU HB3 2.900 . 3.900 1.967 1.967 1.967 . 0 0 "[ ]" 1
195 1 17 VAL MG2 1 38 ASN H 3.300 . 4.700 2.721 2.721 2.721 . 0 0 "[ ]" 1
196 1 17 VAL MG2 1 39 PRO HA 3.300 . 4.700 4.469 4.469 4.469 . 0 0 "[ ]" 1
197 1 17 VAL MG2 1 40 GLY H 4.000 . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
198 1 17 VAL MG2 1 41 ASP H 3.400 . 4.800 2.893 2.893 2.893 . 0 0 "[ ]" 1
199 1 18 PHE H 1 18 PHE HA 3.000 . 4.100 2.937 2.937 2.937 . 0 0 "[ ]" 1
200 1 18 PHE H 1 18 PHE HB2 3.200 . 4.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
201 1 18 PHE H 1 18 PHE HB3 3.300 . 4.600 3.304 3.304 3.304 . 0 0 "[ ]" 1
202 1 18 PHE H 1 18 PHE QD 3.200 . 4.500 3.823 3.823 3.823 . 0 0 "[ ]" 1
203 1 18 PHE H 1 19 GLN H 2.200 . 2.800 2.046 2.046 2.046 . 0 0 "[ ]" 1
204 1 18 PHE H 1 19 GLN HB2 4.800 . 6.000 5.660 5.660 5.660 . 0 0 "[ ]" 1
205 1 18 PHE H 1 19 GLN HB3 4.500 . 6.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
206 1 18 PHE H 1 39 PRO HA 4.300 . 6.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
207 1 18 PHE H 1 73 VAL H 4.300 . 6.000 5.256 5.256 5.256 . 0 0 "[ ]" 1
208 1 18 PHE H 1 73 VAL HA 2.700 . 3.600 2.650 2.650 2.650 . 0 0 "[ ]" 1
209 1 18 PHE H 1 73 VAL HB 4.000 . 6.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
210 1 18 PHE H 1 74 HIS H 3.600 . 5.300 4.061 4.061 4.061 . 0 0 "[ ]" 1
211 1 18 PHE HA 1 18 PHE HB2 2.400 . 3.100 2.875 2.875 2.875 . 0 0 "[ ]" 1
212 1 18 PHE HA 1 18 PHE HB3 2.400 . 3.100 2.824 2.824 2.824 . 0 0 "[ ]" 1
213 1 18 PHE HA 1 18 PHE QD 3.400 . 4.800 2.814 2.814 2.814 . 0 0 "[ ]" 1
214 1 18 PHE HA 1 19 GLN H 3.200 . 4.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
215 1 18 PHE HA 1 39 PRO HA 3.200 . 4.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
216 1 18 PHE HA 1 39 PRO HB3 3.500 . 5.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
217 1 18 PHE HA 1 40 GLY H 3.400 . 4.800 4.799 4.799 4.799 . 0 0 "[ ]" 1
218 1 18 PHE HB2 1 18 PHE QD 3.100 . 4.300 2.293 2.293 2.293 . 0 0 "[ ]" 1
219 1 18 PHE HB2 1 19 GLN H 3.200 . 4.500 3.296 3.296 3.296 . 0 0 "[ ]" 1
220 1 18 PHE HB3 1 18 PHE QD 2.700 . 3.600 2.512 2.512 2.512 . 0 0 "[ ]" 1
221 1 18 PHE HB3 1 19 GLN H 3.800 . 5.600 3.251 3.251 3.251 . 0 0 "[ ]" 1
222 1 18 PHE QD 1 19 GLN H 4.300 . 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1
223 1 18 PHE QD 1 73 VAL H 3.900 . 5.800 5.734 5.734 5.734 . 0 0 "[ ]" 1
224 1 18 PHE QD 1 73 VAL HA 2.900 . 4.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
225 1 18 PHE QD 1 74 HIS H 3.600 . 5.200 3.075 3.075 3.075 . 0 0 "[ ]" 1
226 1 19 GLN H 1 19 GLN HA 2.800 . 3.800 2.937 2.937 2.937 . 0 0 "[ ]" 1
227 1 19 GLN H 1 19 GLN HB3 2.700 . 3.600 2.488 2.488 2.488 . 0 0 "[ ]" 1
228 1 19 GLN H 1 20 GLU H 3.600 . 5.200 4.532 4.532 4.532 . 0 0 "[ ]" 1
229 1 19 GLN H 1 39 PRO HA 4.000 . 6.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
230 1 19 GLN H 1 72 ARG HD2 4.300 . 6.000 5.813 5.813 5.813 . 0 0 "[ ]" 1
231 1 19 GLN H 1 73 VAL HA 3.500 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 1
232 1 19 GLN H 1 73 VAL HB 4.500 . 6.000 5.988 5.988 5.988 . 0 0 "[ ]" 1
233 1 19 GLN H 1 74 HIS H 4.500 . 6.000 6.030 6.030 6.030 0.030 1 0 "[ ]" 1
234 1 19 GLN HA 1 19 GLN HB2 2.700 . 3.600 2.264 2.264 2.264 . 0 0 "[ ]" 1
235 1 19 GLN HA 1 19 GLN HB3 2.900 . 3.900 2.696 2.696 2.696 . 0 0 "[ ]" 1
236 1 19 GLN HA 1 19 GLN HG2 3.000 . 4.100 3.490 3.490 3.490 . 0 0 "[ ]" 1
237 1 19 GLN HA 1 19 GLN HG3 3.100 . 4.300 4.181 4.181 4.181 . 0 0 "[ ]" 1
238 1 19 GLN HA 1 20 GLU H 2.000 . 2.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
239 1 19 GLN HA 1 39 PRO HG3 2.900 . 4.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
240 1 19 GLN HB2 1 20 GLU H 2.800 . 3.800 2.670 2.670 2.670 . 0 0 "[ ]" 1
241 1 19 GLN HB2 1 72 ARG HD2 3.500 . 5.100 4.107 4.107 4.107 . 0 0 "[ ]" 1
242 1 19 GLN HB2 1 72 ARG HD3 3.300 . 4.700 3.454 3.454 3.454 . 0 0 "[ ]" 1
243 1 19 GLN HE21 1 73 VAL H 3.900 . 5.800 4.950 4.950 4.950 . 0 0 "[ ]" 1
244 1 19 GLN HE22 1 73 VAL H 3.700 . 5.400 4.552 4.552 4.552 . 0 0 "[ ]" 1
245 1 19 GLN HG2 1 20 GLU H 2.900 . 3.900 2.524 2.524 2.524 . 0 0 "[ ]" 1
246 1 19 GLN HG2 1 72 ARG HD3 3.000 . 4.100 3.896 3.896 3.896 . 0 0 "[ ]" 1
247 1 20 GLU H 1 20 GLU HA 2.600 . 3.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
248 1 20 GLU H 1 20 GLU QB 2.500 . 3.300 3.100 3.100 3.100 . 0 0 "[ ]" 1
249 1 20 GLU H 1 20 GLU QG 2.400 . 3.100 1.884 1.884 1.884 . 0 0 "[ ]" 1
250 1 20 GLU H 1 21 TYR H 3.500 . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
251 1 20 GLU H 1 38 ASN HA 4.300 . 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
252 1 20 GLU H 1 39 PRO HD3 3.300 . 4.700 4.025 4.025 4.025 . 0 0 "[ ]" 1
253 1 20 GLU HA 1 20 GLU QB 2.200 . 2.800 2.169 2.169 2.169 . 0 0 "[ ]" 1
254 1 20 GLU HA 1 20 GLU QG 3.200 . 4.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
255 1 20 GLU HA 1 21 TYR H 2.200 . 2.800 2.246 2.246 2.246 . 0 0 "[ ]" 1
256 1 20 GLU HA 1 37 LEU H 4.400 . 6.000 4.728 4.728 4.728 . 0 0 "[ ]" 1
257 1 20 GLU HA 1 38 ASN HA 2.800 . 3.800 2.438 2.438 2.438 . 0 0 "[ ]" 1
258 1 20 GLU HA 1 39 PRO HD3 2.800 . 3.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
259 1 20 GLU QB 1 20 GLU QG 2.200 . 2.800 2.038 2.038 2.038 . 0 0 "[ ]" 1
260 1 20 GLU QB 1 21 TYR H 2.800 . 3.800 3.733 3.733 3.733 . 0 0 "[ ]" 1
261 1 20 GLU QB 1 22 TYR QD 3.700 . 5.400 4.524 4.524 4.524 . 0 0 "[ ]" 1
262 1 20 GLU QB 1 22 TYR QE 3.400 . 4.900 3.338 3.338 3.338 . 0 0 "[ ]" 1
263 1 20 GLU QB 1 38 ASN HA 3.100 . 4.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
264 1 20 GLU QB 1 39 PRO HD3 2.600 . 3.400 1.819 1.819 1.819 . 0 0 "[ ]" 1
265 1 20 GLU HB2 1 22 TYR QE 2.800 . 3.800 3.423 3.423 3.423 . 0 0 "[ ]" 1
266 1 20 GLU QG 1 21 TYR H 3.500 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
267 1 20 GLU QG 1 22 TYR QE 3.600 . 5.200 4.559 4.559 4.559 . 0 0 "[ ]" 1
268 1 20 GLU QG 1 39 PRO HD3 4.100 . 6.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
269 1 21 TYR H 1 21 TYR HA 3.000 . 4.100 2.933 2.933 2.933 . 0 0 "[ ]" 1
270 1 21 TYR H 1 21 TYR HB2 3.100 . 4.300 2.338 2.338 2.338 . 0 0 "[ ]" 1
271 1 21 TYR H 1 21 TYR HB3 3.400 . 4.800 3.587 3.587 3.587 . 0 0 "[ ]" 1
272 1 21 TYR H 1 22 TYR QD 4.200 . 6.000 5.201 5.201 5.201 . 0 0 "[ ]" 1
273 1 21 TYR H 1 37 LEU H 2.900 . 3.900 3.264 3.264 3.264 . 0 0 "[ ]" 1
274 1 21 TYR H 1 37 LEU HA 3.800 . 5.600 4.818 4.818 4.818 . 0 0 "[ ]" 1
275 1 21 TYR H 1 37 LEU HB2 2.700 . 3.600 2.692 2.692 2.692 . 0 0 "[ ]" 1
276 1 21 TYR H 1 37 LEU HB3 3.300 . 4.700 4.305 4.305 4.305 . 0 0 "[ ]" 1
277 1 21 TYR H 1 38 ASN HA 3.500 . 5.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
278 1 21 TYR H 1 39 PRO HD3 3.900 . 5.800 4.685 4.685 4.685 . 0 0 "[ ]" 1
279 1 21 TYR HA 1 21 TYR HB2 2.500 . 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 1
280 1 21 TYR HA 1 21 TYR HB3 2.800 . 3.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
281 1 21 TYR HA 1 21 TYR QE 3.600 . 5.200 4.136 4.136 4.136 . 0 0 "[ ]" 1
282 1 21 TYR HB2 1 37 LEU H 3.800 . 5.600 3.245 3.245 3.245 . 0 0 "[ ]" 1
283 1 21 TYR HB3 1 37 LEU H 3.200 . 4.500 4.091 4.091 4.091 . 0 0 "[ ]" 1
284 1 21 TYR HB3 1 37 LEU MD1 3.200 . 4.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
285 1 21 TYR QE 1 25 PRO QG 3.400 . 4.900 4.490 4.490 4.490 . 0 0 "[ ]" 1
286 1 21 TYR QE 1 34 PHE QE 3.800 . 5.600 4.844 4.844 4.844 . 0 0 "[ ]" 1
287 1 21 TYR QE 1 34 PHE HZ 3.600 . 5.300 3.939 3.939 3.939 . 0 0 "[ ]" 1
288 1 22 TYR H 1 22 TYR HB2 4.000 . 6.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
289 1 22 TYR H 1 22 TYR QD 4.200 . 6.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
290 1 22 TYR H 1 23 GLY H 3.300 . 4.700 3.238 3.238 3.238 . 0 0 "[ ]" 1
291 1 22 TYR H 1 24 ILE H 3.700 . 5.400 2.721 2.721 2.721 . 0 0 "[ ]" 1
292 1 22 TYR HA 1 22 TYR HB2 2.600 . 3.400 3.027 3.027 3.027 . 0 0 "[ ]" 1
293 1 22 TYR HA 1 22 TYR HB3 2.500 . 3.300 2.433 2.433 2.433 . 0 0 "[ ]" 1
294 1 22 TYR HA 1 22 TYR QD 2.700 . 3.600 2.415 2.415 2.415 . 0 0 "[ ]" 1
295 1 22 TYR HA 1 23 GLY QA 3.800 . 5.600 3.943 3.943 3.943 . 0 0 "[ ]" 1
296 1 22 TYR HA 1 36 ARG QB 3.100 . 4.300 3.143 3.143 3.143 . 0 0 "[ ]" 1
297 1 22 TYR HA 1 36 ARG HG2 3.300 . 4.700 2.178 2.178 2.178 . 0 0 "[ ]" 1
298 1 22 TYR HB2 1 22 TYR QD 2.800 . 3.700 2.274 2.274 2.274 . 0 0 "[ ]" 1
299 1 22 TYR HB3 1 22 TYR QD 2.700 . 3.600 2.632 2.632 2.632 . 0 0 "[ ]" 1
300 1 22 TYR QD 1 36 ARG QD 3.400 . 4.800 3.915 3.915 3.915 . 0 0 "[ ]" 1
301 1 22 TYR QD 1 36 ARG HG3 3.500 . 5.100 4.144 4.144 4.144 . 0 0 "[ ]" 1
302 1 23 GLY H 1 24 ILE H 2.500 . 3.300 2.508 2.508 2.508 . 0 0 "[ ]" 1
303 1 23 GLY H 1 36 ARG H 4.000 . 6.000 5.328 5.328 5.328 . 0 0 "[ ]" 1
304 1 23 GLY QA 1 24 ILE H 2.900 . 4.000 2.912 2.912 2.912 . 0 0 "[ ]" 1
305 1 23 GLY QA 1 34 PHE H 4.700 . 6.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
306 1 23 GLY QA 1 34 PHE HA 4.100 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
307 1 23 GLY QA 1 34 PHE HB2 3.400 . 4.900 3.279 3.279 3.279 . 0 0 "[ ]" 1
308 1 23 GLY QA 1 34 PHE HB3 3.200 . 4.500 2.097 2.097 2.097 . 0 0 "[ ]" 1
309 1 23 GLY QA 1 34 PHE QD 3.000 . 4.100 2.164 2.164 2.164 . 0 0 "[ ]" 1
310 1 23 GLY QA 1 34 PHE QE 3.700 . 5.400 3.889 3.889 3.889 . 0 0 "[ ]" 1
311 1 23 GLY QA 1 34 PHE HZ 3.800 . 5.600 5.440 5.440 5.440 . 0 0 "[ ]" 1
312 1 24 ILE H 1 24 ILE HA 2.800 . 3.800 2.937 2.937 2.937 . 0 0 "[ ]" 1
313 1 24 ILE H 1 24 ILE HB 2.500 . 3.300 2.780 2.780 2.780 . 0 0 "[ ]" 1
314 1 24 ILE H 1 24 ILE MD 3.800 . 5.600 3.833 3.833 3.833 . 0 0 "[ ]" 1
315 1 24 ILE H 1 24 ILE HG12 3.600 . 5.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
316 1 24 ILE H 1 24 ILE MG 3.600 . 5.200 3.905 3.905 3.905 . 0 0 "[ ]" 1
317 1 24 ILE H 1 25 PRO HA 4.500 . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
318 1 24 ILE H 1 25 PRO HD2 3.800 . 5.600 5.047 5.047 5.047 . 0 0 "[ ]" 1
319 1 24 ILE H 1 34 PHE HB2 4.500 . 6.000 5.808 5.808 5.808 . 0 0 "[ ]" 1
320 1 24 ILE H 1 34 PHE QE 3.500 . 5.100 3.939 3.939 3.939 . 0 0 "[ ]" 1
321 1 24 ILE H 1 34 PHE HZ 4.100 . 6.000 5.233 5.233 5.233 . 0 0 "[ ]" 1
322 1 24 ILE HA 1 24 ILE HB 3.000 . 4.100 3.023 3.023 3.023 . 0 0 "[ ]" 1
323 1 24 ILE HA 1 24 ILE MD 3.300 . 4.700 2.033 2.033 2.033 . 0 0 "[ ]" 1
324 1 24 ILE HA 1 24 ILE HG13 2.900 . 4.000 3.751 3.751 3.751 . 0 0 "[ ]" 1
325 1 24 ILE HA 1 24 ILE MG 2.500 . 3.300 2.370 2.370 2.370 . 0 0 "[ ]" 1
326 1 24 ILE HA 1 25 PRO HA 2.100 . 2.600 1.948 1.948 1.948 . 0 0 "[ ]" 1
327 1 24 ILE HA 1 26 PRO QD 3.100 . 4.300 2.291 2.291 2.291 . 0 0 "[ ]" 1
328 1 24 ILE HB 1 24 ILE MD 2.600 . 3.400 3.237 3.237 3.237 . 0 0 "[ ]" 1
329 1 24 ILE HB 1 24 ILE HG12 2.700 . 3.600 2.479 2.479 2.479 . 0 0 "[ ]" 1
330 1 24 ILE HB 1 24 ILE MG 2.200 . 2.800 2.124 2.124 2.124 . 0 0 "[ ]" 1
331 1 24 ILE MD 1 24 ILE HG12 2.200 . 2.800 2.118 2.118 2.118 . 0 0 "[ ]" 1
332 1 24 ILE MD 1 24 ILE HG13 2.300 . 2.900 2.121 2.121 2.121 . 0 0 "[ ]" 1
333 1 24 ILE HG12 1 24 ILE MG 2.500 . 3.300 3.206 3.206 3.206 . 0 0 "[ ]" 1
334 1 24 ILE MG 1 25 PRO HA 2.300 . 2.900 1.840 1.840 1.840 . 0 0 "[ ]" 1
335 1 24 ILE MG 1 25 PRO HB2 4.300 . 6.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
336 1 24 ILE MG 1 25 PRO HB3 3.600 . 5.200 2.838 2.838 2.838 . 0 0 "[ ]" 1
337 1 24 ILE MG 1 25 PRO HD3 3.400 . 4.800 3.285 3.285 3.285 . 0 0 "[ ]" 1
338 1 24 ILE MG 1 26 PRO QD 3.400 . 4.800 2.517 2.517 2.517 . 0 0 "[ ]" 1
339 1 25 PRO HA 1 25 PRO HB3 2.400 . 3.100 2.321 2.321 2.321 . 0 0 "[ ]" 1
340 1 25 PRO HA 1 25 PRO QG 3.600 . 5.200 3.519 3.519 3.519 . 0 0 "[ ]" 1
341 1 25 PRO HA 1 26 PRO QD 2.200 . 2.800 1.838 1.838 1.838 . 0 0 "[ ]" 1
342 1 25 PRO HB2 1 25 PRO HD2 4.000 . 6.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
343 1 25 PRO HB2 1 26 PRO QD 2.900 . 3.900 2.933 2.933 2.933 . 0 0 "[ ]" 1
344 1 25 PRO HB3 1 25 PRO HD3 3.200 . 4.500 3.154 3.154 3.154 . 0 0 "[ ]" 1
345 1 25 PRO HB3 1 26 PRO QD 3.300 . 4.600 3.400 3.400 3.400 . 0 0 "[ ]" 1
346 1 25 PRO HD2 1 25 PRO QG 2.500 . 3.300 2.178 2.178 2.178 . 0 0 "[ ]" 1
347 1 25 PRO HD3 1 25 PRO QG 2.300 . 3.000 2.204 2.204 2.204 . 0 0 "[ ]" 1
348 1 26 PRO HA 1 26 PRO HB3 2.600 . 3.400 2.278 2.278 2.278 . 0 0 "[ ]" 1
349 1 26 PRO HA 1 26 PRO HG3 3.600 . 5.200 3.132 3.132 3.132 . 0 0 "[ ]" 1
350 1 26 PRO HA 1 27 PRO HD2 2.600 . 3.400 2.944 2.944 2.944 . 0 0 "[ ]" 1
351 1 26 PRO HA 1 27 PRO HD3 2.300 . 3.000 1.863 1.863 1.863 . 0 0 "[ ]" 1
352 1 26 PRO HA 1 34 PHE HB3 4.200 . 6.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
353 1 26 PRO HB2 1 26 PRO QD 3.500 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
354 1 26 PRO HB2 1 26 PRO HG2 2.400 . 3.100 2.311 2.311 2.311 . 0 0 "[ ]" 1
355 1 26 PRO HB2 1 26 PRO HG3 2.800 . 3.800 2.985 2.985 2.985 . 0 0 "[ ]" 1
356 1 26 PRO HB2 1 27 PRO HD2 3.500 . 5.000 3.493 3.493 3.493 . 0 0 "[ ]" 1
357 1 26 PRO HB2 1 27 PRO HD3 4.400 . 6.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
358 1 26 PRO HB3 1 26 PRO QD 3.800 . 5.600 3.528 3.528 3.528 . 0 0 "[ ]" 1
359 1 26 PRO HB3 1 26 PRO HG2 3.000 . 4.100 2.683 2.683 2.683 . 0 0 "[ ]" 1
360 1 26 PRO HB3 1 27 PRO HD2 3.300 . 4.700 2.932 2.932 2.932 . 0 0 "[ ]" 1
361 1 26 PRO HB3 1 27 PRO HD3 3.800 . 5.600 3.145 3.145 3.145 . 0 0 "[ ]" 1
362 1 26 PRO QD 1 26 PRO HG2 2.500 . 3.300 2.187 2.187 2.187 . 0 0 "[ ]" 1
363 1 26 PRO QD 1 26 PRO HG3 2.600 . 3.400 2.241 2.241 2.241 . 0 0 "[ ]" 1
364 1 27 PRO HA 1 27 PRO HB3 2.500 . 3.300 2.273 2.273 2.273 . 0 0 "[ ]" 1
365 1 27 PRO HA 1 27 PRO HD2 3.500 . 5.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
366 1 27 PRO HA 1 28 PRO HD2 2.600 . 3.400 2.362 2.362 2.362 . 0 0 "[ ]" 1
367 1 27 PRO HA 1 28 PRO HD3 2.500 . 3.300 2.262 2.262 2.262 . 0 0 "[ ]" 1
368 1 27 PRO HA 1 54 TRP HE1 4.400 . 6.000 5.594 5.594 5.594 . 0 0 "[ ]" 1
369 1 27 PRO HA 1 54 TRP HH2 3.300 . 4.700 3.680 3.680 3.680 . 0 0 "[ ]" 1
370 1 27 PRO HB2 1 27 PRO HD3 3.800 . 5.600 3.911 3.911 3.911 . 0 0 "[ ]" 1
371 1 27 PRO HB2 1 31 PHE HB2 3.200 . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
372 1 27 PRO HB3 1 67 TRP HB2 3.200 . 4.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
373 1 27 PRO HB3 1 67 TRP HB3 3.600 . 5.200 3.136 3.136 3.136 . 0 0 "[ ]" 1
374 1 27 PRO HD2 1 27 PRO QG 2.500 . 3.300 2.249 2.249 2.249 . 0 0 "[ ]" 1
375 1 27 PRO HD2 1 34 PHE H 3.700 . 5.400 4.341 4.341 4.341 . 0 0 "[ ]" 1
376 1 27 PRO HD2 1 34 PHE HA 4.100 . 6.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
377 1 27 PRO HD2 1 34 PHE HB2 3.700 . 5.400 3.557 3.557 3.557 . 0 0 "[ ]" 1
378 1 27 PRO HD2 1 34 PHE HB3 3.800 . 5.600 5.308 5.308 5.308 . 0 0 "[ ]" 1
379 1 27 PRO HD2 1 34 PHE QD 4.200 . 6.000 3.475 3.475 3.475 . 0 0 "[ ]" 1
380 1 27 PRO HD3 1 27 PRO QG 2.400 . 3.100 2.188 2.188 2.188 . 0 0 "[ ]" 1
381 1 27 PRO HD3 1 34 PHE HB3 3.700 . 5.400 4.043 4.043 4.043 . 0 0 "[ ]" 1
382 1 27 PRO QG 1 34 PHE H 3.400 . 4.800 4.136 4.136 4.136 . 0 0 "[ ]" 1
383 1 27 PRO QG 1 34 PHE HA 2.800 . 3.800 3.174 3.174 3.174 . 0 0 "[ ]" 1
384 1 27 PRO QG 1 34 PHE HB2 3.200 . 4.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
385 1 27 PRO QG 1 34 PHE HB3 3.800 . 5.600 4.823 4.823 4.823 . 0 0 "[ ]" 1
386 1 27 PRO QG 1 54 TRP HE3 3.600 . 5.200 4.523 4.523 4.523 . 0 0 "[ ]" 1
387 1 27 PRO QG 1 54 TRP HZ3 3.400 . 4.900 4.131 4.131 4.131 . 0 0 "[ ]" 1
388 1 27 PRO QG 1 67 TRP HB2 3.200 . 4.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
389 1 27 PRO QG 1 67 TRP HB3 3.300 . 4.700 3.502 3.502 3.502 . 0 0 "[ ]" 1
390 1 28 PRO HA 1 28 PRO HB2 2.600 . 3.400 2.692 2.692 2.692 . 0 0 "[ ]" 1
391 1 28 PRO HA 1 28 PRO HB3 2.600 . 3.400 2.308 2.308 2.308 . 0 0 "[ ]" 1
392 1 28 PRO HA 1 28 PRO HD2 3.400 . 4.800 4.100 4.100 4.100 . 0 0 "[ ]" 1
393 1 28 PRO HA 1 28 PRO HD3 3.600 . 5.200 3.676 3.676 3.676 . 0 0 "[ ]" 1
394 1 28 PRO HA 1 28 PRO HG2 3.700 . 5.400 3.841 3.841 3.841 . 0 0 "[ ]" 1
395 1 28 PRO HA 1 29 GLY H 3.200 . 4.500 2.218 2.218 2.218 . 0 0 "[ ]" 1
396 1 28 PRO HB2 1 28 PRO HD2 3.400 . 4.800 4.040 4.040 4.040 . 0 0 "[ ]" 1
397 1 28 PRO HB2 1 28 PRO HD3 4.200 . 6.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
398 1 28 PRO HB2 1 28 PRO HG2 2.400 . 3.100 2.327 2.327 2.327 . 0 0 "[ ]" 1
399 1 28 PRO HB2 1 31 PHE QD 3.700 . 5.400 5.258 5.258 5.258 . 0 0 "[ ]" 1
400 1 28 PRO HB3 1 28 PRO HD2 3.900 . 5.800 3.862 3.862 3.862 . 0 0 "[ ]" 1
401 1 28 PRO HB3 1 28 PRO HD3 3.600 . 5.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
402 1 28 PRO HB3 1 28 PRO HG2 3.000 . 4.200 2.996 2.996 2.996 . 0 0 "[ ]" 1
403 1 28 PRO HB3 1 28 PRO HG3 2.500 . 3.300 2.332 2.332 2.332 . 0 0 "[ ]" 1
404 1 28 PRO HD2 1 28 PRO HG2 2.300 . 2.900 2.300 2.300 2.300 . 0 0 "[ ]" 1
405 1 28 PRO HD2 1 31 PHE QD 3.700 . 5.400 4.918 4.918 4.918 . 0 0 "[ ]" 1
406 1 28 PRO HD2 1 31 PHE QE 4.000 . 6.000 5.692 5.692 5.692 . 0 0 "[ ]" 1
407 1 28 PRO HD3 1 28 PRO HG2 2.900 . 4.000 2.978 2.978 2.978 . 0 0 "[ ]" 1
408 1 28 PRO HD3 1 28 PRO HG3 2.500 . 3.300 2.300 2.300 2.300 . 0 0 "[ ]" 1
409 1 28 PRO HD3 1 54 TRP HE1 3.500 . 5.100 3.770 3.770 3.770 . 0 0 "[ ]" 1
410 1 28 PRO HD3 1 54 TRP HE3 3.600 . 5.200 5.191 5.191 5.191 . 0 0 "[ ]" 1
411 1 28 PRO HD3 1 54 TRP HH2 3.200 . 4.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
412 1 28 PRO HG2 1 31 PHE QD 3.800 . 5.600 4.440 4.440 4.440 . 0 0 "[ ]" 1
413 1 28 PRO HG2 1 31 PHE QE 3.900 . 5.800 4.554 4.554 4.554 . 0 0 "[ ]" 1
414 1 28 PRO HG2 1 54 TRP HE1 3.500 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
415 1 28 PRO HG3 1 54 TRP HE1 3.500 . 5.000 2.570 2.570 2.570 . 0 0 "[ ]" 1
416 1 29 GLY H 1 29 GLY QA 3.400 . 4.800 2.194 2.194 2.194 . 0 0 "[ ]" 1
417 1 29 GLY QA 1 31 PHE H 4.000 . 6.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
418 1 30 ALA H 1 30 ALA MB 3.600 . 5.300 2.295 2.295 2.295 . 0 0 "[ ]" 1
419 1 30 ALA H 1 31 PHE H 3.900 . 5.800 3.943 3.943 3.943 . 0 0 "[ ]" 1
420 1 30 ALA HA 1 30 ALA MB 2.100 . 2.600 2.128 2.128 2.128 . 0 0 "[ ]" 1
421 1 30 ALA MB 1 31 PHE H 3.500 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
422 1 31 PHE H 1 31 PHE HA 2.700 . 3.600 2.944 2.944 2.944 . 0 0 "[ ]" 1
423 1 31 PHE H 1 31 PHE HB2 3.400 . 4.800 2.326 2.326 2.326 . 0 0 "[ ]" 1
424 1 31 PHE H 1 31 PHE HB3 2.500 . 3.300 3.496 3.496 3.496 0.196 1 0 "[ ]" 1
425 1 31 PHE H 1 31 PHE QD 3.800 . 5.600 3.136 3.136 3.136 . 0 0 "[ ]" 1
426 1 31 PHE H 1 32 GLY H 3.200 . 4.400 2.084 2.084 2.084 . 0 0 "[ ]" 1
427 1 31 PHE HA 1 31 PHE HB2 2.900 . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
428 1 31 PHE HA 1 31 PHE HB3 2.500 . 3.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
429 1 31 PHE HA 1 31 PHE QD 3.100 . 4.300 2.972 2.972 2.972 . 0 0 "[ ]" 1
430 1 31 PHE HA 1 32 GLY H 3.400 . 4.900 3.536 3.536 3.536 . 0 0 "[ ]" 1
431 1 31 PHE HA 1 67 TRP HE1 4.000 . 6.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
432 1 31 PHE HB2 1 31 PHE QD 3.100 . 4.300 2.553 2.553 2.553 . 0 0 "[ ]" 1
433 1 31 PHE HB2 1 32 GLY H 3.100 . 4.300 2.900 2.900 2.900 . 0 0 "[ ]" 1
434 1 31 PHE HB2 1 67 TRP HE1 3.600 . 5.200 4.627 4.627 4.627 . 0 0 "[ ]" 1
435 1 31 PHE HB3 1 32 GLY H 2.900 . 3.900 3.247 3.247 3.247 . 0 0 "[ ]" 1
436 1 31 PHE HB3 1 67 TRP HD1 3.400 . 4.900 3.212 3.212 3.212 . 0 0 "[ ]" 1
437 1 31 PHE HB3 1 67 TRP HE1 4.600 . 6.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
438 1 31 PHE QE 1 54 TRP HB2 3.300 . 4.700 3.733 3.733 3.733 . 0 0 "[ ]" 1
439 1 32 GLY H 1 33 GLY H 4.200 . 6.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
440 1 32 GLY H 1 67 TRP HE1 4.100 . 6.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
441 1 32 GLY HA2 1 67 TRP HD1 3.400 . 4.800 4.203 4.203 4.203 . 0 0 "[ ]" 1
442 1 32 GLY HA2 1 67 TRP HE1 3.400 . 4.800 4.334 4.334 4.334 . 0 0 "[ ]" 1
443 1 32 GLY HA3 1 33 GLY H 2.900 . 3.900 2.668 2.668 2.668 . 0 0 "[ ]" 1
444 1 32 GLY HA3 1 67 TRP HE1 3.300 . 4.700 2.821 2.821 2.821 . 0 0 "[ ]" 1
445 1 33 GLY H 1 33 GLY HA2 2.600 . 3.400 2.844 2.844 2.844 . 0 0 "[ ]" 1
446 1 33 GLY H 1 34 PHE H 4.600 . 6.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
447 1 33 GLY H 1 67 TRP HD1 3.500 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
448 1 33 GLY H 1 67 TRP HE1 4.400 . 6.000 5.341 5.341 5.341 . 0 0 "[ ]" 1
449 1 33 GLY HA2 1 34 PHE H 2.800 . 3.800 2.335 2.335 2.335 . 0 0 "[ ]" 1
450 1 33 GLY HA3 1 34 PHE H 2.200 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
451 1 34 PHE H 1 34 PHE HA 2.800 . 3.800 2.898 2.898 2.898 . 0 0 "[ ]" 1
452 1 34 PHE H 1 34 PHE HB2 2.700 . 3.600 2.417 2.417 2.417 . 0 0 "[ ]" 1
453 1 34 PHE H 1 34 PHE QD 3.100 . 4.300 4.142 4.142 4.142 . 0 0 "[ ]" 1
454 1 34 PHE H 1 35 LEU H 4.600 . 6.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
455 1 34 PHE H 1 66 GLY HA2 3.700 . 5.400 5.365 5.365 5.365 . 0 0 "[ ]" 1
456 1 34 PHE HA 1 34 PHE HB2 2.400 . 3.100 2.625 2.625 2.625 . 0 0 "[ ]" 1
457 1 34 PHE HA 1 34 PHE HB3 2.700 . 3.600 2.997 2.997 2.997 . 0 0 "[ ]" 1
458 1 34 PHE HA 1 34 PHE QD 3.300 . 4.700 2.783 2.783 2.783 . 0 0 "[ ]" 1
459 1 34 PHE HA 1 34 PHE QE 4.000 . 6.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
460 1 34 PHE HA 1 34 PHE HZ 4.000 . 6.000 5.763 5.763 5.763 . 0 0 "[ ]" 1
461 1 34 PHE HA 1 35 LEU H 2.400 . 3.100 2.393 2.393 2.393 . 0 0 "[ ]" 1
462 1 34 PHE HA 1 67 TRP H 2.600 . 3.400 2.734 2.734 2.734 . 0 0 "[ ]" 1
463 1 34 PHE HB2 1 34 PHE QD 2.800 . 3.800 2.449 2.449 2.449 . 0 0 "[ ]" 1
464 1 34 PHE HB2 1 35 LEU H 3.400 . 4.800 3.982 3.982 3.982 . 0 0 "[ ]" 1
465 1 34 PHE HB3 1 34 PHE QD 2.800 . 3.800 2.332 2.332 2.332 . 0 0 "[ ]" 1
466 1 34 PHE HB3 1 34 PHE QE 4.100 . 6.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
467 1 34 PHE HB3 1 35 LEU H 3.400 . 4.900 3.298 3.298 3.298 . 0 0 "[ ]" 1
468 1 34 PHE QD 1 35 LEU H 3.200 . 4.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
469 1 34 PHE QD 1 36 ARG H 3.300 . 4.700 4.641 4.641 4.641 . 0 0 "[ ]" 1
470 1 34 PHE QD 1 36 ARG HA 2.800 . 3.800 3.809 3.809 3.809 0.009 1 0 "[ ]" 1
471 1 34 PHE QE 1 35 LEU H 3.600 . 5.200 3.768 3.768 3.768 . 0 0 "[ ]" 1
472 1 34 PHE HZ 1 35 LEU H 4.000 . 6.000 4.877 4.877 4.877 . 0 0 "[ ]" 1
473 1 34 PHE HZ 1 68 PHE HA 3.500 . 5.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
474 1 35 LEU H 1 35 LEU HA 3.000 . 4.100 2.948 2.948 2.948 . 0 0 "[ ]" 1
475 1 35 LEU H 1 35 LEU HB2 2.900 . 4.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
476 1 35 LEU H 1 35 LEU HB3 2.700 . 3.600 2.480 2.480 2.480 . 0 0 "[ ]" 1
477 1 35 LEU H 1 36 ARG H 4.200 . 6.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
478 1 35 LEU H 1 66 GLY HA2 3.600 . 5.200 4.520 4.520 4.520 . 0 0 "[ ]" 1
479 1 35 LEU H 1 66 GLY HA3 4.600 . 6.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
480 1 35 LEU HA 1 35 LEU HB2 2.500 . 3.300 2.352 2.352 2.352 . 0 0 "[ ]" 1
481 1 35 LEU HA 1 35 LEU HB3 3.000 . 4.100 3.004 3.004 3.004 . 0 0 "[ ]" 1
482 1 35 LEU HA 1 35 LEU HG 3.400 . 4.900 3.057 3.057 3.057 . 0 0 "[ ]" 1
483 1 35 LEU HA 1 66 GLY H 4.400 . 6.000 5.699 5.699 5.699 . 0 0 "[ ]" 1
484 1 35 LEU HA 1 66 GLY HA3 4.300 . 6.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
485 1 35 LEU HB2 1 35 LEU MD2 2.600 . 3.400 2.604 2.604 2.604 . 0 0 "[ ]" 1
486 1 35 LEU HB2 1 35 LEU HG 3.000 . 4.100 2.985 2.985 2.985 . 0 0 "[ ]" 1
487 1 35 LEU HB2 1 37 LEU MD2 4.100 . 6.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
488 1 35 LEU HB2 1 59 ASN HB3 3.900 . 5.800 5.771 5.771 5.771 . 0 0 "[ ]" 1
489 1 35 LEU HB2 1 66 GLY H 3.300 . 4.600 3.424 3.424 3.424 . 0 0 "[ ]" 1
490 1 35 LEU HB2 1 66 GLY HA2 3.000 . 4.100 3.725 3.725 3.725 . 0 0 "[ ]" 1
491 1 35 LEU HB2 1 67 TRP H 4.200 . 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
492 1 35 LEU HB3 1 35 LEU MD2 3.200 . 4.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
493 1 35 LEU HB3 1 35 LEU HG 2.900 . 4.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
494 1 35 LEU HB3 1 66 GLY HA2 3.300 . 4.700 4.391 4.391 4.391 . 0 0 "[ ]" 1
495 1 35 LEU HB3 1 66 GLY HA3 4.200 . 6.000 2.638 2.638 2.638 . 0 0 "[ ]" 1
496 1 35 LEU HB3 1 67 TRP H 3.900 . 5.800 4.539 4.539 4.539 . 0 0 "[ ]" 1
497 1 35 LEU MD1 1 35 LEU HG 2.400 . 3.100 2.079 2.079 2.079 . 0 0 "[ ]" 1
498 1 35 LEU MD1 1 58 ARG H 3.800 . 5.600 5.588 5.588 5.588 . 0 0 "[ ]" 1
499 1 35 LEU MD1 1 59 ASN HB2 3.300 . 4.600 2.047 2.047 2.047 . 0 0 "[ ]" 1
500 1 35 LEU MD1 1 59 ASN HB3 2.800 . 3.800 2.515 2.515 2.515 . 0 0 "[ ]" 1
501 1 35 LEU MD1 1 59 ASN QD 4.900 . 6.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
502 1 35 LEU MD2 1 35 LEU HG 2.100 . 2.600 2.123 2.123 2.123 . 0 0 "[ ]" 1
503 1 35 LEU MD2 1 36 ARG H 3.100 . 4.300 4.167 4.167 4.167 . 0 0 "[ ]" 1
504 1 35 LEU MD2 1 59 ASN QD 4.100 . 6.000 2.429 2.429 2.429 . 0 0 "[ ]" 1
505 1 35 LEU MD2 1 68 PHE QD 2.700 . 3.600 3.422 3.422 3.422 . 0 0 "[ ]" 1
506 1 35 LEU HG 1 36 ARG H 3.200 . 4.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
507 1 35 LEU HG 1 37 LEU MD2 3.000 . 4.100 3.565 3.565 3.565 . 0 0 "[ ]" 1
508 1 35 LEU HG 1 59 ASN HB2 4.000 . 6.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
509 1 35 LEU HG 1 66 GLY H 4.700 . 6.000 5.817 5.817 5.817 . 0 0 "[ ]" 1
510 1 36 ARG H 1 36 ARG QB 2.200 . 2.800 2.156 2.156 2.156 . 0 0 "[ ]" 1
511 1 36 ARG H 1 36 ARG QD 4.300 . 6.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
512 1 36 ARG H 1 36 ARG HG2 3.800 . 5.600 4.155 4.155 4.155 . 0 0 "[ ]" 1
513 1 36 ARG H 1 37 LEU H 4.200 . 6.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
514 1 36 ARG H 1 37 LEU MD1 4.200 . 6.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
515 1 36 ARG HA 1 36 ARG QB 2.600 . 3.400 2.493 2.493 2.493 . 0 0 "[ ]" 1
516 1 36 ARG HA 1 36 ARG QB 2.200 . 2.800 2.284 2.284 2.284 . 0 0 "[ ]" 1
517 1 36 ARG HA 1 36 ARG QD 3.900 . 5.800 4.014 4.014 4.014 . 0 0 "[ ]" 1
518 1 36 ARG HA 1 36 ARG HG2 2.800 . 3.800 2.499 2.499 2.499 . 0 0 "[ ]" 1
519 1 36 ARG HA 1 36 ARG HG3 3.200 . 4.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
520 1 36 ARG HA 1 37 LEU H 2.100 . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
521 1 36 ARG QB 1 36 ARG QD 2.700 . 3.600 2.099 2.099 2.099 . 0 0 "[ ]" 1
522 1 36 ARG QD 1 36 ARG HG2 2.500 . 3.300 2.528 2.528 2.528 . 0 0 "[ ]" 1
523 1 36 ARG QD 1 36 ARG HG3 2.600 . 3.500 2.151 2.151 2.151 . 0 0 "[ ]" 1
524 1 37 LEU H 1 37 LEU HB3 3.600 . 5.200 3.738 3.738 3.738 . 0 0 "[ ]" 1
525 1 37 LEU H 1 37 LEU MD1 3.500 . 5.000 2.625 2.625 2.625 . 0 0 "[ ]" 1
526 1 37 LEU H 1 37 LEU MD2 3.500 . 5.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
527 1 37 LEU H 1 37 LEU HG 3.000 . 4.100 2.714 2.714 2.714 . 0 0 "[ ]" 1
528 1 37 LEU H 1 38 ASN H 4.200 . 6.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
529 1 37 LEU H 1 59 ASN QD 4.400 . 6.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
530 1 37 LEU HA 1 37 LEU HB2 3.000 . 4.200 3.001 3.001 3.001 . 0 0 "[ ]" 1
531 1 37 LEU HA 1 37 LEU HB3 2.500 . 3.300 2.350 2.350 2.350 . 0 0 "[ ]" 1
532 1 37 LEU HA 1 37 LEU MD1 3.100 . 4.300 3.822 3.822 3.822 . 0 0 "[ ]" 1
533 1 37 LEU HA 1 37 LEU HG 3.400 . 4.800 2.736 2.736 2.736 . 0 0 "[ ]" 1
534 1 37 LEU HA 1 38 ASN H 2.200 . 2.800 2.178 2.178 2.178 . 0 0 "[ ]" 1
535 1 37 LEU HA 1 59 ASN QD 3.700 . 4.700 2.614 2.614 2.614 . 0 0 "[ ]" 1
536 1 37 LEU HB2 1 37 LEU MD1 2.500 . 3.300 1.910 1.910 1.910 . 0 0 "[ ]" 1
537 1 37 LEU HB2 1 37 LEU MD2 2.800 . 3.800 2.881 2.881 2.881 . 0 0 "[ ]" 1
538 1 37 LEU HB2 1 37 LEU HG 3.000 . 4.100 2.882 2.882 2.882 . 0 0 "[ ]" 1
539 1 37 LEU HB2 1 38 ASN H 3.800 . 5.600 3.896 3.896 3.896 . 0 0 "[ ]" 1
540 1 37 LEU HB3 1 37 LEU MD2 2.700 . 3.600 1.890 1.890 1.890 . 0 0 "[ ]" 1
541 1 37 LEU HB3 1 37 LEU HG 3.000 . 4.100 2.813 2.813 2.813 . 0 0 "[ ]" 1
542 1 37 LEU HB3 1 38 ASN H 3.100 . 4.300 3.141 3.141 3.141 . 0 0 "[ ]" 1
543 1 37 LEU MD1 1 37 LEU HG 2.100 . 2.600 2.082 2.082 2.082 . 0 0 "[ ]" 1
544 1 37 LEU MD1 1 38 ASN H 3.500 . 5.100 5.122 5.122 5.122 0.022 1 0 "[ ]" 1
545 1 37 LEU MD1 1 59 ASN QD 3.600 . 4.900 4.885 4.885 4.885 . 0 0 "[ ]" 1
546 1 37 LEU MD2 1 37 LEU HG 2.300 . 3.000 2.082 2.082 2.082 . 0 0 "[ ]" 1
547 1 38 ASN H 1 38 ASN HA 2.800 . 3.800 2.941 2.941 2.941 . 0 0 "[ ]" 1
548 1 38 ASN H 1 38 ASN HB2 2.500 . 3.300 2.704 2.704 2.704 . 0 0 "[ ]" 1
549 1 38 ASN H 1 38 ASN HB3 3.100 . 4.300 3.817 3.817 3.817 . 0 0 "[ ]" 1
550 1 38 ASN H 1 38 ASN HD21 3.000 . 4.100 3.470 3.470 3.470 . 0 0 "[ ]" 1
551 1 38 ASN H 1 38 ASN HD22 4.600 . 6.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
552 1 38 ASN H 1 39 PRO HD2 4.600 . 6.000 5.202 5.202 5.202 . 0 0 "[ ]" 1
553 1 38 ASN H 1 39 PRO HD3 4.000 . 6.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
554 1 38 ASN H 1 40 GLY H 3.900 . 5.800 4.798 4.798 4.798 . 0 0 "[ ]" 1
555 1 38 ASN H 1 41 ASP H 4.000 . 6.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
556 1 38 ASN H 1 59 ASN QD 3.600 . 4.900 3.251 3.251 3.251 . 0 0 "[ ]" 1
557 1 38 ASN HA 1 38 ASN HB2 2.800 . 3.700 3.027 3.027 3.027 . 0 0 "[ ]" 1
558 1 38 ASN HA 1 38 ASN HB3 2.600 . 3.400 2.489 2.489 2.489 . 0 0 "[ ]" 1
559 1 38 ASN HA 1 39 PRO HD2 2.600 . 3.400 2.764 2.764 2.764 . 0 0 "[ ]" 1
560 1 38 ASN HA 1 39 PRO HD3 2.200 . 2.800 1.924 1.924 1.924 . 0 0 "[ ]" 1
561 1 38 ASN HA 1 39 PRO HG2 4.600 . 6.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
562 1 38 ASN HA 1 39 PRO HG3 4.800 . 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
563 1 38 ASN HB2 1 38 ASN HD21 2.800 . 3.800 2.120 2.120 2.120 . 0 0 "[ ]" 1
564 1 38 ASN HB2 1 38 ASN HD22 3.800 . 5.600 3.435 3.435 3.435 . 0 0 "[ ]" 1
565 1 38 ASN HB2 1 39 PRO HD2 3.600 . 5.200 4.123 4.123 4.123 . 0 0 "[ ]" 1
566 1 38 ASN HB2 1 39 PRO HD3 4.400 . 6.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
567 1 38 ASN HB3 1 38 ASN HD21 3.400 . 4.800 3.303 3.303 3.303 . 0 0 "[ ]" 1
568 1 38 ASN HB3 1 39 PRO HD2 2.900 . 3.900 2.588 2.588 2.588 . 0 0 "[ ]" 1
569 1 38 ASN HB3 1 39 PRO HD3 3.500 . 5.100 3.361 3.361 3.361 . 0 0 "[ ]" 1
570 1 39 PRO HA 1 39 PRO HB2 2.600 . 3.400 2.966 2.966 2.966 . 0 0 "[ ]" 1
571 1 39 PRO HA 1 39 PRO HB3 2.800 . 3.800 2.277 2.277 2.277 . 0 0 "[ ]" 1
572 1 39 PRO HA 1 39 PRO HG2 2.500 . 3.300 2.648 2.648 2.648 . 0 0 "[ ]" 1
573 1 39 PRO HA 1 39 PRO HG3 2.800 . 3.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
574 1 39 PRO HA 1 40 GLY H 2.000 . 2.500 2.296 2.296 2.296 . 0 0 "[ ]" 1
575 1 39 PRO HA 1 41 ASP H 3.600 . 5.200 3.795 3.795 3.795 . 0 0 "[ ]" 1
576 1 39 PRO HB2 1 39 PRO HG3 2.700 . 3.600 2.991 2.991 2.991 . 0 0 "[ ]" 1
577 1 39 PRO HB2 1 40 GLY H 3.600 . 5.200 4.306 4.306 4.306 . 0 0 "[ ]" 1
578 1 39 PRO HB3 1 39 PRO HG2 2.900 . 3.900 2.669 2.669 2.669 . 0 0 "[ ]" 1
579 1 39 PRO HB3 1 39 PRO HG3 2.300 . 3.000 2.315 2.315 2.315 . 0 0 "[ ]" 1
580 1 39 PRO HD2 1 39 PRO HG3 2.400 . 3.100 2.990 2.990 2.990 . 0 0 "[ ]" 1
581 1 39 PRO HD3 1 39 PRO HG2 2.600 . 3.400 2.690 2.690 2.690 . 0 0 "[ ]" 1
582 1 40 GLY H 1 40 GLY HA3 2.500 . 3.300 2.948 2.948 2.948 . 0 0 "[ ]" 1
583 1 40 GLY H 1 41 ASP H 2.300 . 3.000 1.746 1.746 1.746 . 0 0 "[ ]" 1
584 1 40 GLY H 1 41 ASP QB 5.100 . 6.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
585 1 40 GLY H 1 42 ILE H 5.000 . 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
586 1 41 ASP H 1 41 ASP HA 2.500 . 3.300 2.939 2.939 2.939 . 0 0 "[ ]" 1
587 1 41 ASP H 1 41 ASP QB 2.300 . 3.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
588 1 41 ASP H 1 42 ILE H 3.900 . 5.800 4.462 4.462 4.462 . 0 0 "[ ]" 1
589 1 41 ASP HA 1 41 ASP QB 2.400 . 3.100 2.409 2.409 2.409 . 0 0 "[ ]" 1
590 1 41 ASP HA 1 42 ILE H 2.100 . 2.600 2.164 2.164 2.164 . 0 0 "[ ]" 1
591 1 41 ASP QB 1 42 ILE H 2.800 . 3.800 3.062 3.062 3.062 . 0 0 "[ ]" 1
592 1 41 ASP QB 1 43 VAL MG1 3.200 . 4.500 4.513 4.513 4.513 0.013 1 0 "[ ]" 1
593 1 41 ASP QB 1 59 ASN QD 3.800 . 5.400 2.171 2.171 2.171 . 0 0 "[ ]" 1
594 1 41 ASP QB 1 61 ALA H 3.200 . 4.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
595 1 42 ILE H 1 42 ILE HA 2.800 . 3.800 2.910 2.910 2.910 . 0 0 "[ ]" 1
596 1 42 ILE H 1 42 ILE HB 2.400 . 3.100 2.580 2.580 2.580 . 0 0 "[ ]" 1
597 1 42 ILE H 1 42 ILE MD 3.700 . 5.400 3.342 3.342 3.342 . 0 0 "[ ]" 1
598 1 42 ILE H 1 42 ILE HG12 3.700 . 5.400 2.306 2.306 2.306 . 0 0 "[ ]" 1
599 1 42 ILE H 1 42 ILE HG13 2.700 . 3.600 3.750 3.750 3.750 0.150 1 0 "[ ]" 1
600 1 42 ILE H 1 42 ILE MG 3.600 . 5.200 3.805 3.805 3.805 . 0 0 "[ ]" 1
601 1 42 ILE H 1 43 VAL H 4.500 . 6.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
602 1 42 ILE H 1 61 ALA H 3.600 . 5.200 4.850 4.850 4.850 . 0 0 "[ ]" 1
603 1 42 ILE HA 1 42 ILE HB 2.800 . 3.800 3.019 3.019 3.019 . 0 0 "[ ]" 1
604 1 42 ILE HA 1 42 ILE HG12 3.000 . 4.100 3.133 3.133 3.133 . 0 0 "[ ]" 1
605 1 42 ILE HA 1 42 ILE HG13 3.500 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
606 1 42 ILE HA 1 42 ILE MG 2.200 . 2.800 2.388 2.388 2.388 . 0 0 "[ ]" 1
607 1 42 ILE HA 1 43 VAL H 2.100 . 2.600 2.161 2.161 2.161 . 0 0 "[ ]" 1
608 1 42 ILE HB 1 42 ILE MD 3.100 . 4.300 3.238 3.238 3.238 . 0 0 "[ ]" 1
609 1 42 ILE HB 1 42 ILE HG12 2.600 . 3.400 2.461 2.461 2.461 . 0 0 "[ ]" 1
610 1 42 ILE HB 1 42 ILE HG13 2.600 . 3.400 2.449 2.449 2.449 . 0 0 "[ ]" 1
611 1 42 ILE HB 1 42 ILE MG 2.000 . 2.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
612 1 42 ILE HB 1 60 THR MG 3.200 . 4.500 2.026 2.026 2.026 . 0 0 "[ ]" 1
613 1 42 ILE MD 1 42 ILE HG12 2.200 . 2.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
614 1 42 ILE MD 1 42 ILE HG13 2.200 . 2.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
615 1 42 ILE MD 1 76 TYR QD 2.800 . 3.800 2.731 2.731 2.731 . 0 0 "[ ]" 1
616 1 42 ILE HG12 1 42 ILE MG 3.300 . 4.700 3.205 3.205 3.205 . 0 0 "[ ]" 1
617 1 42 ILE HG13 1 42 ILE MG 2.700 . 3.600 2.412 2.412 2.412 . 0 0 "[ ]" 1
618 1 42 ILE MG 1 44 GLU QG 3.500 . 5.100 3.439 3.439 3.439 . 0 0 "[ ]" 1
619 1 42 ILE MG 1 76 TYR HB2 3.500 . 5.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
620 1 42 ILE MG 1 76 TYR QD 3.300 . 4.600 3.980 3.980 3.980 . 0 0 "[ ]" 1
621 1 43 VAL H 1 43 VAL HB 2.600 . 3.400 3.259 3.259 3.259 . 0 0 "[ ]" 1
622 1 43 VAL H 1 43 VAL MG1 3.000 . 4.100 2.103 2.103 2.103 . 0 0 "[ ]" 1
623 1 43 VAL H 1 44 GLU H 4.300 . 6.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
624 1 43 VAL H 1 59 ASN HA 4.100 . 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
625 1 43 VAL HA 1 43 VAL HB 2.700 . 3.600 2.382 2.382 2.382 . 0 0 "[ ]" 1
626 1 43 VAL HA 1 43 VAL MG1 2.600 . 3.400 3.196 3.196 3.196 . 0 0 "[ ]" 1
627 1 43 VAL HA 1 43 VAL MG2 2.500 . 3.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
628 1 43 VAL HA 1 44 GLU H 2.100 . 2.700 2.208 2.208 2.208 . 0 0 "[ ]" 1
629 1 43 VAL HA 1 59 ASN HA 2.400 . 3.100 2.457 2.457 2.457 . 0 0 "[ ]" 1
630 1 43 VAL HB 1 43 VAL MG1 2.200 . 2.800 2.124 2.124 2.124 . 0 0 "[ ]" 1
631 1 43 VAL HB 1 43 VAL MG2 2.200 . 2.800 2.090 2.090 2.090 . 0 0 "[ ]" 1
632 1 43 VAL HB 1 44 GLU H 3.600 . 5.200 3.944 3.944 3.944 . 0 0 "[ ]" 1
633 1 43 VAL MG1 1 44 GLU H 3.300 . 4.700 3.949 3.949 3.949 . 0 0 "[ ]" 1
634 1 43 VAL MG1 1 58 ARG H 3.900 . 5.800 4.524 4.524 4.524 . 0 0 "[ ]" 1
635 1 43 VAL MG1 1 59 ASN H 3.900 . 5.800 5.708 5.708 5.708 . 0 0 "[ ]" 1
636 1 43 VAL MG1 1 59 ASN HB2 3.600 . 5.200 5.214 5.214 5.214 0.014 1 0 "[ ]" 1
637 1 43 VAL MG1 1 68 PHE HZ 3.300 . 4.700 2.734 2.734 2.734 . 0 0 "[ ]" 1
638 1 43 VAL MG2 1 44 GLU H 3.000 . 4.200 1.974 1.974 1.974 . 0 0 "[ ]" 1
639 1 43 VAL MG2 1 58 ARG H 3.100 . 4.300 1.937 1.937 1.937 . 0 0 "[ ]" 1
640 1 43 VAL MG2 1 59 ASN H 3.900 . 5.800 3.511 3.511 3.511 . 0 0 "[ ]" 1
641 1 43 VAL MG2 1 59 ASN HA 3.000 . 4.200 3.121 3.121 3.121 . 0 0 "[ ]" 1
642 1 44 GLU H 1 44 GLU HB2 3.100 . 4.300 2.596 2.596 2.596 . 0 0 "[ ]" 1
643 1 44 GLU H 1 44 GLU QG 3.100 . 4.300 2.397 2.397 2.397 . 0 0 "[ ]" 1
644 1 44 GLU H 1 45 LEU H 4.000 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
645 1 44 GLU H 1 46 THR MG 4.100 . 6.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
646 1 44 GLU H 1 57 GLY HA2 4.200 . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
647 1 44 GLU H 1 59 ASN H 4.300 . 6.000 4.979 4.979 4.979 . 0 0 "[ ]" 1
648 1 44 GLU H 1 59 ASN HA 3.500 . 5.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
649 1 44 GLU HA 1 44 GLU HB2 2.800 . 3.800 3.021 3.021 3.021 . 0 0 "[ ]" 1
650 1 44 GLU HA 1 44 GLU HB3 2.600 . 3.400 2.412 2.412 2.412 . 0 0 "[ ]" 1
651 1 44 GLU HA 1 44 GLU QG 2.700 . 3.600 2.580 2.580 2.580 . 0 0 "[ ]" 1
652 1 44 GLU HA 1 45 LEU H 2.200 . 2.800 2.197 2.197 2.197 . 0 0 "[ ]" 1
653 1 44 GLU HA 1 45 LEU HB2 3.400 . 4.900 4.628 4.628 4.628 . 0 0 "[ ]" 1
654 1 44 GLU HB2 1 44 GLU QG 2.200 . 2.800 2.482 2.482 2.482 . 0 0 "[ ]" 1
655 1 44 GLU HB3 1 44 GLU QG 2.100 . 2.600 2.194 2.194 2.194 . 0 0 "[ ]" 1
656 1 45 LEU H 1 45 LEU HA 3.000 . 4.100 2.851 2.851 2.851 . 0 0 "[ ]" 1
657 1 45 LEU H 1 45 LEU HB3 3.300 . 4.700 3.592 3.592 3.592 . 0 0 "[ ]" 1
658 1 45 LEU H 1 45 LEU MD1 3.700 . 5.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
659 1 45 LEU H 1 45 LEU MD2 4.100 . 6.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
660 1 45 LEU H 1 45 LEU HG 2.200 . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
661 1 45 LEU H 1 46 THR H 4.300 . 6.000 4.262 4.262 4.262 . 0 0 "[ ]" 1
662 1 45 LEU HA 1 45 LEU HB2 2.800 . 3.800 2.677 2.677 2.677 . 0 0 "[ ]" 1
663 1 45 LEU HA 1 45 LEU HB3 2.600 . 3.400 2.490 2.490 2.490 . 0 0 "[ ]" 1
664 1 45 LEU HA 1 45 LEU MD2 3.100 . 4.300 1.968 1.968 1.968 . 0 0 "[ ]" 1
665 1 45 LEU HA 1 46 THR H 2.400 . 3.100 2.192 2.192 2.192 . 0 0 "[ ]" 1
666 1 45 LEU HA 1 46 THR MG 3.800 . 5.600 3.867 3.867 3.867 . 0 0 "[ ]" 1
667 1 45 LEU HA 1 47 LYS H 3.700 . 5.400 4.116 4.116 4.116 . 0 0 "[ ]" 1
668 1 45 LEU HA 1 57 GLY HA2 2.800 . 3.800 3.162 3.162 3.162 . 0 0 "[ ]" 1
669 1 45 LEU HA 1 57 GLY HA3 2.900 . 3.900 3.776 3.776 3.776 . 0 0 "[ ]" 1
670 1 45 LEU HA 1 58 ARG H 3.600 . 5.200 4.325 4.325 4.325 . 0 0 "[ ]" 1
671 1 45 LEU HB2 1 45 LEU MD1 3.500 . 5.000 2.270 2.270 2.270 . 0 0 "[ ]" 1
672 1 45 LEU HB3 1 45 LEU MD1 2.500 . 3.300 2.452 2.452 2.452 . 0 0 "[ ]" 1
673 1 45 LEU HB3 1 45 LEU MD2 3.400 . 4.800 2.369 2.369 2.369 . 0 0 "[ ]" 1
674 1 45 LEU HB3 1 46 THR H 3.700 . 5.400 3.851 3.851 3.851 . 0 0 "[ ]" 1
675 1 46 THR H 1 46 THR HA 3.000 . 4.100 2.866 2.866 2.866 . 0 0 "[ ]" 1
676 1 46 THR H 1 46 THR HB 3.900 . 5.800 3.636 3.636 3.636 . 0 0 "[ ]" 1
677 1 46 THR H 1 46 THR MG 3.100 . 4.300 2.277 2.277 2.277 . 0 0 "[ ]" 1
678 1 46 THR H 1 47 LYS H 2.300 . 3.000 2.671 2.671 2.671 . 0 0 "[ ]" 1
679 1 46 THR H 1 57 GLY HA2 3.300 . 4.700 1.928 1.928 1.928 . 0 0 "[ ]" 1
680 1 46 THR H 1 57 GLY HA3 2.600 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
681 1 46 THR HA 1 46 THR HB 2.300 . 2.900 2.439 2.439 2.439 . 0 0 "[ ]" 1
682 1 46 THR HB 1 46 THR MG 2.100 . 2.600 2.098 2.098 2.098 . 0 0 "[ ]" 1
683 1 46 THR HB 1 47 LYS H 3.500 . 5.100 3.402 3.402 3.402 . 0 0 "[ ]" 1
684 1 46 THR HB 1 57 GLY H 4.200 . 6.000 5.699 5.699 5.699 . 0 0 "[ ]" 1
685 1 46 THR MG 1 47 LYS H 3.800 . 5.600 3.716 3.716 3.716 . 0 0 "[ ]" 1
686 1 46 THR MG 1 57 GLY H 3.900 . 5.800 3.841 3.841 3.841 . 0 0 "[ ]" 1
687 1 46 THR MG 1 57 GLY HA2 3.400 . 4.900 2.361 2.361 2.361 . 0 0 "[ ]" 1
688 1 46 THR MG 1 57 GLY HA3 2.900 . 3.900 3.587 3.587 3.587 . 0 0 "[ ]" 1
689 1 46 THR MG 1 58 ARG H 3.100 . 4.300 2.706 2.706 2.706 . 0 0 "[ ]" 1
690 1 46 THR MG 1 58 ARG HB2 2.900 . 4.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
691 1 47 LYS H 1 47 LYS HB2 3.100 . 4.300 3.134 3.134 3.134 . 0 0 "[ ]" 1
692 1 47 LYS H 1 47 LYS HB3 3.100 . 4.300 2.911 2.911 2.911 . 0 0 "[ ]" 1
693 1 47 LYS H 1 47 LYS QD 3.700 . 5.400 4.873 4.873 4.873 . 0 0 "[ ]" 1
694 1 47 LYS H 1 48 ALA H 4.500 . 6.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
695 1 47 LYS H 1 48 ALA MB 4.400 . 6.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
696 1 47 LYS H 1 55 TRP HA 4.700 . 6.000 5.834 5.834 5.834 . 0 0 "[ ]" 1
697 1 47 LYS H 1 56 GLU H 3.000 . 4.100 3.657 3.657 3.657 . 0 0 "[ ]" 1
698 1 47 LYS H 1 56 GLU HB2 3.000 . 4.100 4.030 4.030 4.030 . 0 0 "[ ]" 1
699 1 47 LYS H 1 56 GLU HB3 3.300 . 4.700 2.883 2.883 2.883 . 0 0 "[ ]" 1
700 1 47 LYS H 1 57 GLY H 4.300 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
701 1 47 LYS H 1 57 GLY HA2 4.300 . 6.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
702 1 47 LYS HA 1 47 LYS HB2 2.700 . 3.600 2.538 2.538 2.538 . 0 0 "[ ]" 1
703 1 47 LYS HA 1 47 LYS HB3 2.600 . 3.400 3.017 3.017 3.017 . 0 0 "[ ]" 1
704 1 47 LYS HA 1 47 LYS QD 3.100 . 4.300 3.920 3.920 3.920 . 0 0 "[ ]" 1
705 1 47 LYS HA 1 48 ALA H 2.400 . 3.100 2.145 2.145 2.145 . 0 0 "[ ]" 1
706 1 47 LYS HB2 1 47 LYS QD 2.600 . 3.500 2.100 2.100 2.100 . 0 0 "[ ]" 1
707 1 47 LYS HB2 1 48 ALA H 4.100 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
708 1 47 LYS HB2 1 56 GLU H 4.100 . 6.000 5.191 5.191 5.191 . 0 0 "[ ]" 1
709 1 47 LYS HB2 1 56 GLU HB2 3.300 . 4.700 4.372 4.372 4.372 . 0 0 "[ ]" 1
710 1 47 LYS HB2 1 56 GLU HB3 2.700 . 3.600 3.736 3.736 3.736 0.136 1 0 "[ ]" 1
711 1 47 LYS HB3 1 47 LYS QD 2.600 . 3.400 2.619 2.619 2.619 . 0 0 "[ ]" 1
712 1 47 LYS HB3 1 47 LYS HD3 2.600 . 3.400 2.124 2.124 2.124 . 0 0 "[ ]" 1
713 1 47 LYS HB3 1 48 ALA H 4.100 . 6.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
714 1 47 LYS HB3 1 56 GLU HB2 3.400 . 4.800 2.887 2.887 2.887 . 0 0 "[ ]" 1
715 1 47 LYS HB3 1 56 GLU HB3 3.300 . 4.600 2.812 2.812 2.812 . 0 0 "[ ]" 1
716 1 47 LYS QD 1 48 ALA H 4.200 . 6.000 4.962 4.962 4.962 . 0 0 "[ ]" 1
717 1 47 LYS HG2 1 67 TRP HH2 3.100 . 4.300 4.307 4.307 4.307 0.007 1 0 "[ ]" 1
718 1 48 ALA H 1 48 ALA MB 3.000 . 4.100 2.439 2.439 2.439 . 0 0 "[ ]" 1
719 1 48 ALA H 1 49 GLU H 3.900 . 5.800 4.456 4.456 4.456 . 0 0 "[ ]" 1
720 1 48 ALA H 1 49 GLU QG 4.000 . 6.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
721 1 48 ALA HA 1 48 ALA MB 2.300 . 3.000 2.127 2.127 2.127 . 0 0 "[ ]" 1
722 1 48 ALA HA 1 49 GLU H 2.400 . 3.100 2.219 2.219 2.219 . 0 0 "[ ]" 1
723 1 48 ALA HA 1 55 TRP HA 3.000 . 4.100 3.606 3.606 3.606 . 0 0 "[ ]" 1
724 1 48 ALA HA 1 55 TRP HD1 2.700 . 3.600 1.852 1.852 1.852 . 0 0 "[ ]" 1
725 1 48 ALA HA 1 55 TRP HE1 4.200 . 6.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
726 1 48 ALA HA 1 56 GLU H 3.800 . 5.600 3.567 3.567 3.567 . 0 0 "[ ]" 1
727 1 48 ALA MB 1 49 GLU H 3.300 . 4.600 2.819 2.819 2.819 . 0 0 "[ ]" 1
728 1 48 ALA MB 1 55 TRP HA 4.100 . 6.000 4.834 4.834 4.834 . 0 0 "[ ]" 1
729 1 48 ALA MB 1 55 TRP HB3 4.200 . 6.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
730 1 48 ALA MB 1 55 TRP HD1 3.700 . 5.400 2.284 2.284 2.284 . 0 0 "[ ]" 1
731 1 48 ALA MB 1 55 TRP HE1 3.900 . 5.800 3.313 3.313 3.313 . 0 0 "[ ]" 1
732 1 49 GLU H 1 49 GLU HA 2.900 . 4.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
733 1 49 GLU H 1 49 GLU HB2 2.800 . 3.800 2.471 2.471 2.471 . 0 0 "[ ]" 1
734 1 49 GLU H 1 49 GLU HB3 3.300 . 4.600 3.602 3.602 3.602 . 0 0 "[ ]" 1
735 1 49 GLU H 1 49 GLU QG 3.100 . 4.300 3.436 3.436 3.436 . 0 0 "[ ]" 1
736 1 49 GLU H 1 50 ALA MB 4.500 . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
737 1 49 GLU H 1 52 HIS QB 3.900 . 5.800 4.007 4.007 4.007 . 0 0 "[ ]" 1
738 1 49 GLU H 1 52 HIS HD2 4.700 . 6.000 5.952 5.952 5.952 . 0 0 "[ ]" 1
739 1 49 GLU H 1 55 TRP HA 4.400 . 6.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
740 1 49 GLU H 1 55 TRP HD1 3.300 . 4.700 1.985 1.985 1.985 . 0 0 "[ ]" 1
741 1 49 GLU H 1 55 TRP HE1 3.600 . 5.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
742 1 49 GLU HA 1 49 GLU HB2 2.600 . 3.400 2.976 2.976 2.976 . 0 0 "[ ]" 1
743 1 49 GLU HA 1 49 GLU HB3 2.500 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 1
744 1 49 GLU HA 1 50 ALA H 2.700 . 3.600 2.490 2.490 2.490 . 0 0 "[ ]" 1
745 1 49 GLU HB2 1 49 GLU QG 2.500 . 3.300 2.146 2.146 2.146 . 0 0 "[ ]" 1
746 1 49 GLU HB2 1 50 ALA H 4.500 . 6.000 3.729 3.729 3.729 . 0 0 "[ ]" 1
747 1 49 GLU HB2 1 52 HIS HD2 3.400 . 4.800 3.635 3.635 3.635 . 0 0 "[ ]" 1
748 1 49 GLU HB3 1 50 ALA H 3.700 . 5.400 2.284 2.284 2.284 . 0 0 "[ ]" 1
749 1 49 GLU HB3 1 52 HIS H 3.700 . 5.400 2.723 2.723 2.723 . 0 0 "[ ]" 1
750 1 49 GLU HB3 1 52 HIS HD2 3.600 . 5.200 2.502 2.502 2.502 . 0 0 "[ ]" 1
751 1 49 GLU QG 1 50 ALA H 4.800 . 6.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
752 1 50 ALA H 1 50 ALA MB 2.900 . 3.900 2.290 2.290 2.290 . 0 0 "[ ]" 1
753 1 50 ALA H 1 52 HIS HA 4.500 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
754 1 50 ALA HA 1 50 ALA MB 2.100 . 2.600 2.087 2.087 2.087 . 0 0 "[ ]" 1
755 1 50 ALA HA 1 55 TRP HE1 3.300 . 4.600 3.959 3.959 3.959 . 0 0 "[ ]" 1
756 1 50 ALA MB 1 51 GLU H 3.100 . 4.300 2.679 2.679 2.679 . 0 0 "[ ]" 1
757 1 50 ALA MB 1 51 GLU QG 3.500 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
758 1 51 GLU H 1 51 GLU HB3 3.300 . 4.600 3.353 3.353 3.353 . 0 0 "[ ]" 1
759 1 51 GLU H 1 51 GLU QG 3.100 . 4.300 3.417 3.417 3.417 . 0 0 "[ ]" 1
760 1 51 GLU H 1 52 HIS H 3.400 . 4.900 2.609 2.609 2.609 . 0 0 "[ ]" 1
761 1 51 GLU H 1 52 HIS HA 4.400 . 6.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
762 1 51 GLU HA 1 51 GLU HB2 2.700 . 3.600 2.910 2.910 2.910 . 0 0 "[ ]" 1
763 1 51 GLU HA 1 51 GLU HB3 2.600 . 3.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
764 1 51 GLU HA 1 51 GLU QG 2.600 . 3.400 2.066 2.066 2.066 . 0 0 "[ ]" 1
765 1 51 GLU HA 1 52 HIS H 3.100 . 4.300 3.130 3.130 3.130 . 0 0 "[ ]" 1
766 1 51 GLU HB3 1 51 GLU QG 2.200 . 2.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
767 1 51 GLU QG 1 52 HIS H 4.200 . 6.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
768 1 51 GLU QG 1 52 HIS HD2 3.700 . 5.400 5.401 5.401 5.401 0.001 1 0 "[ ]" 1
769 1 52 HIS H 1 52 HIS QB 2.900 . 4.000 2.434 2.434 2.434 . 0 0 "[ ]" 1
770 1 52 HIS H 1 52 HIS HD2 4.000 . 6.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
771 1 52 HIS HA 1 52 HIS HD2 3.400 . 4.800 3.911 3.911 3.911 . 0 0 "[ ]" 1
772 1 52 HIS HA 1 53 ASN HD21 4.400 . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
773 1 52 HIS HA 1 53 ASN HD22 4.500 . 6.000 5.812 5.812 5.812 . 0 0 "[ ]" 1
774 1 52 HIS HA 1 54 TRP H 4.500 . 6.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
775 1 52 HIS QB 1 52 HIS HD2 3.300 . 4.600 2.790 2.790 2.790 . 0 0 "[ ]" 1
776 1 52 HIS QB 1 54 TRP H 3.000 . 4.100 2.259 2.259 2.259 . 0 0 "[ ]" 1
777 1 52 HIS QB 1 55 TRP HD1 3.600 . 5.200 5.218 5.218 5.218 0.018 1 0 "[ ]" 1
778 1 53 ASN HA 1 53 ASN QB 2.400 . 3.100 2.428 2.428 2.428 . 0 0 "[ ]" 1
779 1 53 ASN HA 1 53 ASN HD22 4.800 . 6.000 3.390 3.390 3.390 . 0 0 "[ ]" 1
780 1 53 ASN HA 1 55 TRP HE1 4.300 . 6.000 5.978 5.978 5.978 . 0 0 "[ ]" 1
781 1 53 ASN QB 1 53 ASN HD21 3.800 . 5.600 2.591 2.591 2.591 . 0 0 "[ ]" 1
782 1 53 ASN QB 1 54 TRP HD1 2.900 . 3.900 2.752 2.752 2.752 . 0 0 "[ ]" 1
783 1 53 ASN QB 1 54 TRP HE1 3.500 . 5.100 3.490 3.490 3.490 . 0 0 "[ ]" 1
784 1 54 TRP H 1 54 TRP HB2 3.300 . 4.600 2.673 2.673 2.673 . 0 0 "[ ]" 1
785 1 54 TRP H 1 54 TRP HB3 3.200 . 4.500 3.796 3.796 3.796 . 0 0 "[ ]" 1
786 1 54 TRP H 1 54 TRP HD1 3.300 . 4.700 3.165 3.165 3.165 . 0 0 "[ ]" 1
787 1 54 TRP H 1 55 TRP H 4.700 . 6.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
788 1 54 TRP H 1 55 TRP HE3 4.200 . 6.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
789 1 54 TRP HA 1 54 TRP HB2 2.900 . 3.900 3.024 3.024 3.024 . 0 0 "[ ]" 1
790 1 54 TRP HA 1 54 TRP HB3 2.800 . 3.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
791 1 54 TRP HA 1 54 TRP HD1 3.000 . 4.100 3.215 3.215 3.215 . 0 0 "[ ]" 1
792 1 54 TRP HA 1 54 TRP HE3 3.400 . 4.900 3.386 3.386 3.386 . 0 0 "[ ]" 1
793 1 54 TRP HA 1 55 TRP H 2.300 . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
794 1 54 TRP HA 1 68 PHE H 4.000 . 6.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
795 1 54 TRP HA 1 69 PRO HA 2.500 . 3.300 3.277 3.277 3.277 . 0 0 "[ ]" 1
796 1 54 TRP HB2 1 54 TRP HD1 3.400 . 4.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
797 1 54 TRP HB2 1 54 TRP HD1 2.700 . 3.600 2.679 2.679 2.679 . 0 0 "[ ]" 1
798 1 54 TRP HB2 1 55 TRP H 3.600 . 5.200 4.024 4.024 4.024 . 0 0 "[ ]" 1
799 1 54 TRP HB3 1 54 TRP HD1 2.800 . 3.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
800 1 54 TRP HB3 1 54 TRP HE3 3.300 . 4.700 2.514 2.514 2.514 . 0 0 "[ ]" 1
801 1 54 TRP HB3 1 55 TRP H 3.700 . 5.400 2.912 2.912 2.912 . 0 0 "[ ]" 1
802 1 54 TRP HE3 1 67 TRP HA 3.500 . 5.100 4.381 4.381 4.381 . 0 0 "[ ]" 1
803 1 54 TRP HE3 1 67 TRP HB2 3.200 . 4.500 4.052 4.052 4.052 . 0 0 "[ ]" 1
804 1 54 TRP HE3 1 68 PHE H 3.000 . 4.100 3.200 3.200 3.200 . 0 0 "[ ]" 1
805 1 54 TRP HE3 1 68 PHE HA 3.100 . 4.300 2.660 2.660 2.660 . 0 0 "[ ]" 1
806 1 54 TRP HH2 1 69 PRO HG2 3.600 . 5.200 5.122 5.122 5.122 . 0 0 "[ ]" 1
807 1 54 TRP HZ3 1 68 PHE HA 3.100 . 4.300 2.472 2.472 2.472 . 0 0 "[ ]" 1
808 1 54 TRP HZ3 1 69 PRO HG3 3.700 . 5.500 3.761 3.761 3.761 . 0 0 "[ ]" 1
809 1 55 TRP H 1 55 TRP HA 2.900 . 4.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
810 1 55 TRP H 1 55 TRP HB2 3.300 . 4.600 2.683 2.683 2.683 . 0 0 "[ ]" 1
811 1 55 TRP H 1 55 TRP HB3 2.900 . 4.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
812 1 55 TRP H 1 55 TRP HE3 3.500 . 5.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
813 1 55 TRP H 1 56 GLU H 4.000 . 6.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
814 1 55 TRP H 1 67 TRP HA 4.200 . 6.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
815 1 55 TRP H 1 68 PHE H 2.900 . 3.900 2.883 2.883 2.883 . 0 0 "[ ]" 1
816 1 55 TRP H 1 69 PRO HA 3.400 . 4.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
817 1 55 TRP H 1 70 CYS H 3.800 . 5.600 4.633 4.633 4.633 . 0 0 "[ ]" 1
818 1 55 TRP H 1 70 CYS HA 4.600 . 6.000 5.924 5.924 5.924 . 0 0 "[ ]" 1
819 1 55 TRP HA 1 55 TRP HB2 2.500 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
820 1 55 TRP HA 1 55 TRP HB3 2.800 . 3.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
821 1 55 TRP HA 1 55 TRP HE1 4.500 . 6.000 5.143 5.143 5.143 . 0 0 "[ ]" 1
822 1 55 TRP HA 1 55 TRP HE3 3.300 . 4.700 4.276 4.276 4.276 . 0 0 "[ ]" 1
823 1 55 TRP HA 1 56 GLU H 2.600 . 3.400 2.334 2.334 2.334 . 0 0 "[ ]" 1
824 1 55 TRP HA 1 56 GLU HG2 4.200 . 6.000 6.022 6.022 6.022 0.022 1 0 "[ ]" 1
825 1 55 TRP HB2 1 55 TRP HD1 3.400 . 4.800 3.764 3.764 3.764 . 0 0 "[ ]" 1
826 1 55 TRP HB2 1 56 GLU H 3.400 . 4.800 3.741 3.741 3.741 . 0 0 "[ ]" 1
827 1 55 TRP HB2 1 67 TRP HE3 3.500 . 5.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
828 1 55 TRP HB2 1 68 PHE H 3.900 . 5.800 4.156 4.156 4.156 . 0 0 "[ ]" 1
829 1 55 TRP HB3 1 55 TRP HE3 3.200 . 4.400 4.168 4.168 4.168 . 0 0 "[ ]" 1
830 1 55 TRP HB3 1 56 GLU H 3.700 . 5.400 2.598 2.598 2.598 . 0 0 "[ ]" 1
831 1 55 TRP HD1 1 56 GLU H 4.100 . 6.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
832 1 55 TRP HE1 1 70 CYS HB2 4.000 . 6.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
833 1 55 TRP HE1 1 70 CYS HB3 4.300 . 6.000 5.941 5.941 5.941 . 0 0 "[ ]" 1
834 1 55 TRP HE3 1 56 GLU H 4.600 . 6.000 5.911 5.911 5.911 . 0 0 "[ ]" 1
835 1 55 TRP HZ3 1 69 PRO HA 3.600 . 5.200 2.372 2.372 2.372 . 0 0 "[ ]" 1
836 1 56 GLU H 1 56 GLU HB2 3.200 . 4.500 2.454 2.454 2.454 . 0 0 "[ ]" 1
837 1 56 GLU H 1 56 GLU HB3 3.200 . 4.500 3.084 3.084 3.084 . 0 0 "[ ]" 1
838 1 56 GLU H 1 56 GLU HG3 5.000 . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
839 1 56 GLU HA 1 56 GLU HB2 2.900 . 4.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
840 1 56 GLU HA 1 56 GLU HB3 2.800 . 3.800 2.925 2.925 2.925 . 0 0 "[ ]" 1
841 1 56 GLU HA 1 56 GLU HG2 2.900 . 3.900 2.123 2.123 2.123 . 0 0 "[ ]" 1
842 1 56 GLU HA 1 56 GLU HG3 3.000 . 4.100 2.999 2.999 2.999 . 0 0 "[ ]" 1
843 1 56 GLU HA 1 57 GLY H 2.300 . 3.000 2.234 2.234 2.234 . 0 0 "[ ]" 1
844 1 56 GLU HA 1 67 TRP HA 2.300 . 3.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
845 1 56 GLU HA 1 68 PHE H 3.200 . 4.400 3.616 3.616 3.616 . 0 0 "[ ]" 1
846 1 56 GLU HB2 1 56 GLU HG3 2.700 . 3.600 2.228 2.228 2.228 . 0 0 "[ ]" 1
847 1 56 GLU HB2 1 57 GLY H 3.900 . 5.800 4.274 4.274 4.274 . 0 0 "[ ]" 1
848 1 56 GLU HB2 1 67 TRP HE1 3.400 . 4.900 4.881 4.881 4.881 . 0 0 "[ ]" 1
849 1 56 GLU HB3 1 56 GLU HG2 2.800 . 3.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
850 1 56 GLU HB3 1 57 GLY H 4.300 . 6.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
851 1 56 GLU HG2 1 57 GLY H 2.700 . 3.600 2.592 2.592 2.592 . 0 0 "[ ]" 1
852 1 56 GLU HG2 1 65 VAL MG2 3.800 . 5.600 4.007 4.007 4.007 . 0 0 "[ ]" 1
853 1 56 GLU HG2 1 66 GLY H 3.100 . 4.300 3.261 3.261 3.261 . 0 0 "[ ]" 1
854 1 56 GLU HG2 1 67 TRP HA 3.300 . 4.700 3.248 3.248 3.248 . 0 0 "[ ]" 1
855 1 56 GLU HG2 1 67 TRP HE1 4.200 . 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
856 1 56 GLU HG3 1 57 GLY H 3.300 . 4.700 4.221 4.221 4.221 . 0 0 "[ ]" 1
857 1 56 GLU HG3 1 65 VAL MG2 3.200 . 4.500 4.518 4.518 4.518 0.018 1 0 "[ ]" 1
858 1 56 GLU HG3 1 66 GLY H 3.600 . 5.200 4.921 4.921 4.921 . 0 0 "[ ]" 1
859 1 56 GLU HG3 1 67 TRP HE1 3.400 . 4.800 3.074 3.074 3.074 . 0 0 "[ ]" 1
860 1 57 GLY H 1 57 GLY HA2 2.800 . 3.800 2.920 2.920 2.920 . 0 0 "[ ]" 1
861 1 57 GLY H 1 57 GLY HA3 3.000 . 4.200 2.646 2.646 2.646 . 0 0 "[ ]" 1
862 1 57 GLY H 1 58 ARG H 3.900 . 5.800 4.406 4.406 4.406 . 0 0 "[ ]" 1
863 1 57 GLY H 1 67 TRP HA 3.600 . 5.200 3.922 3.922 3.922 . 0 0 "[ ]" 1
864 1 57 GLY H 1 68 PHE H 4.400 . 6.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
865 1 57 GLY H 1 68 PHE HZ 3.700 . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
866 1 57 GLY HA2 1 58 ARG H 2.800 . 3.700 2.568 2.568 2.568 . 0 0 "[ ]" 1
867 1 57 GLY HA2 1 66 GLY H 4.400 . 6.000 4.872 4.872 4.872 . 0 0 "[ ]" 1
868 1 57 GLY HA3 1 58 ARG H 2.500 . 3.300 2.578 2.578 2.578 . 0 0 "[ ]" 1
869 1 57 GLY HA3 1 66 GLY H 4.200 . 6.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
870 1 58 ARG H 1 58 ARG HB2 2.800 . 3.700 3.268 3.268 3.268 . 0 0 "[ ]" 1
871 1 58 ARG H 1 58 ARG HB3 2.900 . 3.900 2.736 2.736 2.736 . 0 0 "[ ]" 1
872 1 58 ARG H 1 58 ARG HG3 4.300 . 6.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
873 1 58 ARG HA 1 58 ARG HB2 2.800 . 3.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
874 1 58 ARG HA 1 58 ARG HB3 2.500 . 3.300 3.023 3.023 3.023 . 0 0 "[ ]" 1
875 1 58 ARG HA 1 58 ARG HD2 4.100 . 6.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
876 1 58 ARG HA 1 58 ARG HD3 3.900 . 5.800 4.279 4.279 4.279 . 0 0 "[ ]" 1
877 1 58 ARG HA 1 58 ARG HG2 2.800 . 3.800 3.241 3.241 3.241 . 0 0 "[ ]" 1
878 1 58 ARG HA 1 58 ARG HG3 3.200 . 4.500 2.572 2.572 2.572 . 0 0 "[ ]" 1
879 1 58 ARG HA 1 59 ASN H 2.100 . 2.700 2.133 2.133 2.133 . 0 0 "[ ]" 1
880 1 58 ARG HB2 1 58 ARG HD2 3.400 . 4.800 3.680 3.680 3.680 . 0 0 "[ ]" 1
881 1 58 ARG HB2 1 58 ARG HD3 3.200 . 4.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
882 1 58 ARG HB2 1 58 ARG HG3 2.600 . 3.400 2.481 2.481 2.481 . 0 0 "[ ]" 1
883 1 58 ARG HB2 1 59 ASN H 3.900 . 5.800 4.309 4.309 4.309 . 0 0 "[ ]" 1
884 1 58 ARG HB2 1 65 VAL HA 3.700 . 5.400 3.566 3.566 3.566 . 0 0 "[ ]" 1
885 1 58 ARG HB2 1 65 VAL MG1 3.000 . 4.100 1.962 1.962 1.962 . 0 0 "[ ]" 1
886 1 58 ARG HB3 1 58 ARG HG2 2.700 . 3.600 2.407 2.407 2.407 . 0 0 "[ ]" 1
887 1 58 ARG HD2 1 58 ARG HG2 2.600 . 3.400 2.417 2.417 2.417 . 0 0 "[ ]" 1
888 1 58 ARG HD2 1 58 ARG HG3 2.600 . 3.400 2.464 2.464 2.464 . 0 0 "[ ]" 1
889 1 58 ARG HD2 1 63 ASN HA 3.200 . 4.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
890 1 58 ARG HD2 1 65 VAL MG1 3.500 . 5.000 3.714 3.714 3.714 . 0 0 "[ ]" 1
891 1 58 ARG HD3 1 58 ARG HG2 2.600 . 3.400 3.015 3.015 3.015 . 0 0 "[ ]" 1
892 1 58 ARG HD3 1 58 ARG HG3 2.700 . 3.600 2.416 2.416 2.416 . 0 0 "[ ]" 1
893 1 58 ARG HD3 1 65 VAL MG1 2.800 . 3.800 2.572 2.572 2.572 . 0 0 "[ ]" 1
894 1 58 ARG HG2 1 59 ASN H 3.000 . 4.100 3.533 3.533 3.533 . 0 0 "[ ]" 1
895 1 58 ARG HG2 1 60 THR HA 3.300 . 4.600 4.079 4.079 4.079 . 0 0 "[ ]" 1
896 1 58 ARG HG2 1 63 ASN HA 2.800 . 3.800 3.683 3.683 3.683 . 0 0 "[ ]" 1
897 1 58 ARG HG3 1 59 ASN H 3.500 . 5.000 3.310 3.310 3.310 . 0 0 "[ ]" 1
898 1 58 ARG HG3 1 63 ASN H 3.800 . 5.700 5.179 5.179 5.179 . 0 0 "[ ]" 1
899 1 58 ARG HG3 1 63 ASN HA 2.800 . 3.800 3.810 3.810 3.810 0.010 1 0 "[ ]" 1
900 1 58 ARG HG3 1 64 GLU H 4.100 . 6.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
901 1 59 ASN H 1 59 ASN HA 2.900 . 3.900 2.873 2.873 2.873 . 0 0 "[ ]" 1
902 1 59 ASN H 1 59 ASN HB2 2.800 . 3.800 2.328 2.328 2.328 . 0 0 "[ ]" 1
903 1 59 ASN H 1 59 ASN HB3 2.600 . 3.400 2.812 2.812 2.812 . 0 0 "[ ]" 1
904 1 59 ASN H 1 62 THR HA 4.300 . 6.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
905 1 59 ASN H 1 63 ASN H 4.300 . 6.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
906 1 59 ASN H 1 63 ASN HA 4.200 . 6.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
907 1 59 ASN H 1 64 GLU H 3.200 . 4.500 3.190 3.190 3.190 . 0 0 "[ ]" 1
908 1 59 ASN HA 1 59 ASN HB2 2.600 . 3.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
909 1 59 ASN HA 1 59 ASN HB3 2.700 . 3.600 2.994 2.994 2.994 . 0 0 "[ ]" 1
910 1 59 ASN HA 1 60 THR MG 3.700 . 5.400 3.819 3.819 3.819 . 0 0 "[ ]" 1
911 1 59 ASN HA 1 61 ALA H 3.800 . 5.600 3.676 3.676 3.676 . 0 0 "[ ]" 1
912 1 59 ASN HB2 1 59 ASN QD 3.200 . 4.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
913 1 59 ASN HB2 1 61 ALA H 3.800 . 5.600 4.453 4.453 4.453 . 0 0 "[ ]" 1
914 1 59 ASN HB2 1 62 THR H 3.600 . 5.200 4.002 4.002 4.002 . 0 0 "[ ]" 1
915 1 59 ASN HB3 1 59 ASN QD 3.400 . 4.900 2.877 2.877 2.877 . 0 0 "[ ]" 1
916 1 59 ASN HB3 1 61 ALA H 4.400 . 6.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
917 1 59 ASN HB3 1 62 THR H 3.800 . 5.600 2.325 2.325 2.325 . 0 0 "[ ]" 1
918 1 59 ASN HB3 1 63 ASN H 4.000 . 6.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
919 1 59 ASN HB3 1 64 GLU H 3.200 . 4.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
920 1 59 ASN QD 1 61 ALA H 4.100 . 6.000 4.017 4.017 4.017 . 0 0 "[ ]" 1
921 1 59 ASN QD 1 61 ALA MB 3.900 . 5.800 3.234 3.234 3.234 . 0 0 "[ ]" 1
922 1 59 ASN QD 1 62 THR H 4.200 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
923 1 59 ASN QD 1 62 THR MG 4.000 . 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
924 1 60 THR HA 1 60 THR HB 2.200 . 2.800 2.430 2.430 2.430 . 0 0 "[ ]" 1
925 1 60 THR HA 1 61 ALA H 3.200 . 4.400 3.381 3.381 3.381 . 0 0 "[ ]" 1
926 1 60 THR HB 1 60 THR MG 2.200 . 2.800 2.092 2.092 2.092 . 0 0 "[ ]" 1
927 1 60 THR MG 1 61 ALA H 3.900 . 5.800 2.399 2.399 2.399 . 0 0 "[ ]" 1
928 1 61 ALA H 1 61 ALA HA 2.600 . 3.400 2.899 2.899 2.899 . 0 0 "[ ]" 1
929 1 61 ALA H 1 61 ALA MB 2.200 . 2.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
930 1 61 ALA H 1 62 THR H 2.300 . 3.000 2.372 2.372 2.372 . 0 0 "[ ]" 1
931 1 61 ALA H 1 64 GLU H 4.700 . 6.000 5.424 5.424 5.424 . 0 0 "[ ]" 1
932 1 61 ALA HA 1 61 ALA MB 2.100 . 2.600 2.113 2.113 2.113 . 0 0 "[ ]" 1
933 1 61 ALA MB 1 62 THR H 2.700 . 3.600 2.619 2.619 2.619 . 0 0 "[ ]" 1
934 1 61 ALA MB 1 62 THR HA 3.600 . 5.200 3.925 3.925 3.925 . 0 0 "[ ]" 1
935 1 62 THR H 1 63 ASN H 2.200 . 2.800 2.185 2.185 2.185 . 0 0 "[ ]" 1
936 1 62 THR H 1 63 ASN HA 4.000 . 6.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
937 1 62 THR H 1 63 ASN HB2 5.100 . 6.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
938 1 62 THR H 1 64 GLU H 3.600 . 5.200 3.995 3.995 3.995 . 0 0 "[ ]" 1
939 1 62 THR HA 1 62 THR MG 2.000 . 2.500 1.861 1.861 1.861 . 0 0 "[ ]" 1
940 1 62 THR HA 1 63 ASN H 3.000 . 4.200 3.392 3.392 3.392 . 0 0 "[ ]" 1
941 1 62 THR HB 1 64 GLU HB2 3.700 . 5.400 2.850 2.850 2.850 . 0 0 "[ ]" 1
942 1 62 THR MG 1 63 ASN H 3.700 . 5.400 4.347 4.347 4.347 . 0 0 "[ ]" 1
943 1 62 THR MG 1 64 GLU H 3.800 . 5.600 4.451 4.451 4.451 . 0 0 "[ ]" 1
944 1 62 THR MG 1 64 GLU HB2 3.900 . 5.800 3.456 3.456 3.456 . 0 0 "[ ]" 1
945 1 63 ASN H 1 63 ASN HA 2.100 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
946 1 63 ASN H 1 63 ASN HB2 3.500 . 5.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
947 1 63 ASN H 1 63 ASN HB3 3.200 . 4.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
948 1 63 ASN H 1 64 GLU H 2.600 . 3.400 2.772 2.772 2.772 . 0 0 "[ ]" 1
949 1 63 ASN HA 1 63 ASN HB2 2.400 . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 1
950 1 63 ASN HA 1 63 ASN HB3 2.600 . 3.400 2.985 2.985 2.985 . 0 0 "[ ]" 1
951 1 63 ASN HA 1 63 ASN HD21 4.300 . 6.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
952 1 63 ASN HA 1 64 GLU H 2.800 . 3.800 2.772 2.772 2.772 . 0 0 "[ ]" 1
953 1 63 ASN HB2 1 63 ASN HD21 3.100 . 4.300 2.492 2.492 2.492 . 0 0 "[ ]" 1
954 1 63 ASN HB2 1 64 GLU H 4.000 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
955 1 63 ASN HB3 1 63 ASN HD21 3.100 . 4.300 3.550 3.550 3.550 . 0 0 "[ ]" 1
956 1 63 ASN HB3 1 64 GLU H 4.100 . 6.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
957 1 64 GLU H 1 64 GLU HA 2.700 . 3.600 2.925 2.925 2.925 . 0 0 "[ ]" 1
958 1 64 GLU H 1 64 GLU HB2 2.700 . 3.600 2.838 2.838 2.838 . 0 0 "[ ]" 1
959 1 64 GLU H 1 64 GLU HB3 2.700 . 3.600 3.225 3.225 3.225 . 0 0 "[ ]" 1
960 1 64 GLU H 1 65 VAL H 3.800 . 5.600 4.414 4.414 4.414 . 0 0 "[ ]" 1
961 1 64 GLU HA 1 64 GLU HB2 2.800 . 3.800 2.742 2.742 2.742 . 0 0 "[ ]" 1
962 1 64 GLU HA 1 64 GLU HB3 2.800 . 3.800 2.938 2.938 2.938 . 0 0 "[ ]" 1
963 1 64 GLU HA 1 64 GLU QG 2.500 . 3.300 2.036 2.036 2.036 . 0 0 "[ ]" 1
964 1 64 GLU HA 1 65 VAL H 2.100 . 2.600 2.340 2.340 2.340 . 0 0 "[ ]" 1
965 1 64 GLU HA 1 65 VAL HA 3.900 . 5.800 4.372 4.372 4.372 . 0 0 "[ ]" 1
966 1 64 GLU HA 1 65 VAL MG1 3.700 . 5.400 3.481 3.481 3.481 . 0 0 "[ ]" 1
967 1 64 GLU HB3 1 65 VAL H 3.300 . 4.700 3.203 3.203 3.203 . 0 0 "[ ]" 1
968 1 64 GLU QG 1 65 VAL H 3.300 . 4.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
969 1 65 VAL H 1 65 VAL HA 2.700 . 3.600 2.939 2.939 2.939 . 0 0 "[ ]" 1
970 1 65 VAL H 1 65 VAL MG1 2.700 . 3.600 2.580 2.580 2.580 . 0 0 "[ ]" 1
971 1 65 VAL H 1 66 GLY HA3 4.100 . 6.000 5.504 5.504 5.504 . 0 0 "[ ]" 1
972 1 65 VAL HA 1 65 VAL HB 2.600 . 3.400 2.402 2.402 2.402 . 0 0 "[ ]" 1
973 1 65 VAL HA 1 66 GLY H 2.100 . 2.700 2.262 2.262 2.262 . 0 0 "[ ]" 1
974 1 65 VAL HB 1 65 VAL MG1 2.200 . 2.800 2.111 2.111 2.111 . 0 0 "[ ]" 1
975 1 65 VAL HB 1 65 VAL MG2 2.100 . 2.700 2.084 2.084 2.084 . 0 0 "[ ]" 1
976 1 65 VAL HB 1 66 GLY H 3.200 . 4.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
977 1 66 GLY H 1 66 GLY HA2 2.700 . 3.600 2.888 2.888 2.888 . 0 0 "[ ]" 1
978 1 66 GLY H 1 66 GLY HA3 2.900 . 3.900 2.707 2.707 2.707 . 0 0 "[ ]" 1
979 1 66 GLY HA2 1 67 TRP H 2.600 . 3.400 2.464 2.464 2.464 . 0 0 "[ ]" 1
980 1 66 GLY HA2 1 67 TRP HD1 4.100 . 6.000 3.698 3.698 3.698 . 0 0 "[ ]" 1
981 1 66 GLY HA3 1 67 TRP H 2.600 . 3.400 2.667 2.667 2.667 . 0 0 "[ ]" 1
982 1 67 TRP H 1 67 TRP HB2 3.300 . 4.600 2.387 2.387 2.387 . 0 0 "[ ]" 1
983 1 67 TRP H 1 67 TRP HB3 2.900 . 4.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
984 1 67 TRP H 1 67 TRP HD1 2.900 . 4.000 3.003 3.003 3.003 . 0 0 "[ ]" 1
985 1 67 TRP H 1 67 TRP HE1 4.300 . 6.000 5.291 5.291 5.291 . 0 0 "[ ]" 1
986 1 67 TRP H 1 67 TRP HE3 4.500 . 6.000 5.507 5.507 5.507 . 0 0 "[ ]" 1
987 1 67 TRP H 1 68 PHE H 4.100 . 6.000 4.518 4.518 4.518 . 0 0 "[ ]" 1
988 1 67 TRP HA 1 67 TRP HB2 3.000 . 4.100 3.015 3.015 3.015 . 0 0 "[ ]" 1
989 1 67 TRP HA 1 67 TRP HB3 3.000 . 4.100 2.556 2.556 2.556 . 0 0 "[ ]" 1
990 1 67 TRP HA 1 68 PHE H 2.300 . 2.900 2.194 2.194 2.194 . 0 0 "[ ]" 1
991 1 67 TRP HA 1 68 PHE QD 3.400 . 4.800 3.345 3.345 3.345 . 0 0 "[ ]" 1
992 1 67 TRP HB2 1 67 TRP HD1 3.300 . 4.700 2.650 2.650 2.650 . 0 0 "[ ]" 1
993 1 67 TRP HB3 1 67 TRP HD1 3.600 . 5.200 3.805 3.805 3.805 . 0 0 "[ ]" 1
994 1 68 PHE H 1 68 PHE HA 2.900 . 4.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
995 1 68 PHE H 1 68 PHE QD 3.000 . 4.100 3.175 3.175 3.175 . 0 0 "[ ]" 1
996 1 68 PHE H 1 69 PRO HD3 4.400 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
997 1 68 PHE H 1 69 PRO HG3 4.700 . 6.000 5.958 5.958 5.958 . 0 0 "[ ]" 1
998 1 68 PHE HA 1 69 PRO HD2 3.200 . 4.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
999 1 68 PHE HA 1 69 PRO HD3 2.200 . 2.800 1.936 1.936 1.936 . 0 0 "[ ]" 1
1000 1 68 PHE HA 1 69 PRO HG2 4.400 . 6.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
1001 1 68 PHE QD 1 69 PRO HD2 2.800 . 3.800 3.473 3.473 3.473 . 0 0 "[ ]" 1
1002 1 68 PHE QD 1 70 CYS H 4.000 . 6.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
1003 1 68 PHE QD 1 70 CYS HA 3.100 . 4.300 3.875 3.875 3.875 . 0 0 "[ ]" 1
1004 1 68 PHE QD 1 73 VAL MG1 3.300 . 4.700 3.016 3.016 3.016 . 0 0 "[ ]" 1
1005 1 69 PRO HA 1 69 PRO HB3 2.300 . 2.900 2.269 2.269 2.269 . 0 0 "[ ]" 1
1006 1 69 PRO HA 1 69 PRO HG2 3.500 . 5.000 4.025 4.025 4.025 . 0 0 "[ ]" 1
1007 1 69 PRO HA 1 69 PRO HG3 4.100 . 6.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
1008 1 69 PRO HA 1 70 CYS H 2.100 . 2.600 2.213 2.213 2.213 . 0 0 "[ ]" 1
1009 1 69 PRO HA 1 71 ASN H 4.200 . 6.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1010 1 69 PRO HB2 1 69 PRO HD2 3.400 . 4.800 2.988 2.988 2.988 . 0 0 "[ ]" 1
1011 1 69 PRO HB2 1 70 CYS H 3.600 . 5.200 3.508 3.508 3.508 . 0 0 "[ ]" 1
1012 1 69 PRO HB2 1 71 ASN H 3.000 . 4.100 3.038 3.038 3.038 . 0 0 "[ ]" 1
1013 1 69 PRO HB3 1 69 PRO HD2 2.700 . 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
1014 1 69 PRO HB3 1 69 PRO HG2 2.400 . 3.100 2.699 2.699 2.699 . 0 0 "[ ]" 1
1015 1 69 PRO HB3 1 70 CYS H 3.500 . 5.100 3.346 3.346 3.346 . 0 0 "[ ]" 1
1016 1 69 PRO HB3 1 71 ASN H 3.600 . 5.300 3.529 3.529 3.529 . 0 0 "[ ]" 1
1017 1 69 PRO HD2 1 69 PRO HG3 2.500 . 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 1
1018 1 69 PRO HD2 1 72 ARG HG3 3.200 . 4.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
1019 1 69 PRO HD3 1 69 PRO HG2 2.700 . 3.600 2.674 2.674 2.674 . 0 0 "[ ]" 1
1020 1 70 CYS H 1 70 CYS HA 2.700 . 3.600 2.864 2.864 2.864 . 0 0 "[ ]" 1
1021 1 70 CYS H 1 70 CYS HB2 3.000 . 4.100 2.120 2.120 2.120 . 0 0 "[ ]" 1
1022 1 70 CYS H 1 70 CYS HB3 2.700 . 3.600 3.148 3.148 3.148 . 0 0 "[ ]" 1
1023 1 70 CYS H 1 71 ASN HD21 4.100 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 1
1024 1 70 CYS HA 1 70 CYS HB2 2.400 . 3.100 2.804 2.804 2.804 . 0 0 "[ ]" 1
1025 1 70 CYS HA 1 70 CYS HB3 2.800 . 3.800 2.892 2.892 2.892 . 0 0 "[ ]" 1
1026 1 70 CYS HA 1 71 ASN H 3.500 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
1027 1 70 CYS HA 1 72 ARG H 3.400 . 4.900 4.139 4.139 4.139 . 0 0 "[ ]" 1
1028 1 70 CYS HA 1 73 VAL H 3.900 . 5.800 3.790 3.790 3.790 . 0 0 "[ ]" 1
1029 1 70 CYS HB2 1 71 ASN H 4.200 . 6.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
1030 1 70 CYS HB3 1 71 ASN H 3.700 . 5.400 3.175 3.175 3.175 . 0 0 "[ ]" 1
1031 1 71 ASN H 1 71 ASN HA 2.900 . 3.900 2.848 2.848 2.848 . 0 0 "[ ]" 1
1032 1 71 ASN H 1 71 ASN HB2 3.000 . 4.100 3.464 3.464 3.464 . 0 0 "[ ]" 1
1033 1 71 ASN H 1 71 ASN HB3 3.200 . 4.500 3.084 3.084 3.084 . 0 0 "[ ]" 1
1034 1 71 ASN H 1 71 ASN HD21 3.200 . 4.500 3.227 3.227 3.227 . 0 0 "[ ]" 1
1035 1 71 ASN H 1 72 ARG H 2.800 . 3.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
1036 1 71 ASN H 1 72 ARG HG2 4.400 . 6.000 5.118 5.118 5.118 . 0 0 "[ ]" 1
1037 1 71 ASN HA 1 71 ASN HB2 2.500 . 3.300 2.702 2.702 2.702 . 0 0 "[ ]" 1
1038 1 71 ASN HA 1 71 ASN HB3 2.400 . 3.100 2.267 2.267 2.267 . 0 0 "[ ]" 1
1039 1 71 ASN HA 1 72 ARG H 3.300 . 4.600 3.495 3.495 3.495 . 0 0 "[ ]" 1
1040 1 71 ASN HA 1 73 VAL H 3.400 . 4.900 3.547 3.547 3.547 . 0 0 "[ ]" 1
1041 1 71 ASN HB2 1 71 ASN HD21 3.600 . 5.200 2.325 2.325 2.325 . 0 0 "[ ]" 1
1042 1 71 ASN HB2 1 72 ARG H 4.000 . 6.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
1043 1 71 ASN HB3 1 71 ASN HD21 4.100 . 6.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
1044 1 72 ARG H 1 72 ARG HA 2.700 . 3.600 2.817 2.817 2.817 . 0 0 "[ ]" 1
1045 1 72 ARG H 1 72 ARG HB2 3.100 . 4.300 2.155 2.155 2.155 . 0 0 "[ ]" 1
1046 1 72 ARG H 1 72 ARG HB3 2.700 . 3.600 3.469 3.469 3.469 . 0 0 "[ ]" 1
1047 1 72 ARG H 1 72 ARG HD2 4.200 . 6.000 5.421 5.421 5.421 . 0 0 "[ ]" 1
1048 1 72 ARG H 1 72 ARG HD3 4.400 . 6.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
1049 1 72 ARG H 1 72 ARG HG2 2.600 . 3.400 3.028 3.028 3.028 . 0 0 "[ ]" 1
1050 1 72 ARG H 1 73 VAL H 2.400 . 3.100 2.645 2.645 2.645 . 0 0 "[ ]" 1
1051 1 72 ARG H 1 73 VAL MG1 3.700 . 5.400 4.283 4.283 4.283 . 0 0 "[ ]" 1
1052 1 72 ARG H 1 73 VAL MG2 3.800 . 5.600 3.726 3.726 3.726 . 0 0 "[ ]" 1
1053 1 72 ARG HA 1 72 ARG HB2 2.800 . 3.800 2.962 2.962 2.962 . 0 0 "[ ]" 1
1054 1 72 ARG HA 1 72 ARG HB3 2.500 . 3.300 2.697 2.697 2.697 . 0 0 "[ ]" 1
1055 1 72 ARG HA 1 72 ARG HD2 2.900 . 3.900 3.907 3.907 3.907 0.007 1 0 "[ ]" 1
1056 1 72 ARG HA 1 72 ARG HD3 2.600 . 3.400 3.003 3.003 3.003 . 0 0 "[ ]" 1
1057 1 72 ARG HA 1 72 ARG HG2 2.900 . 3.900 2.467 2.467 2.467 . 0 0 "[ ]" 1
1058 1 72 ARG HA 1 73 VAL H 3.000 . 4.100 3.382 3.382 3.382 . 0 0 "[ ]" 1
1059 1 72 ARG HB2 1 72 ARG HD2 3.700 . 5.400 4.102 4.102 4.102 . 0 0 "[ ]" 1
1060 1 72 ARG HB2 1 72 ARG HG3 2.900 . 4.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
1061 1 72 ARG HB2 1 73 VAL H 3.600 . 5.200 3.426 3.426 3.426 . 0 0 "[ ]" 1
1062 1 72 ARG HB2 1 73 VAL MG1 3.000 . 4.200 3.447 3.447 3.447 . 0 0 "[ ]" 1
1063 1 72 ARG HB3 1 72 ARG HD2 2.600 . 3.400 3.390 3.390 3.390 . 0 0 "[ ]" 1
1064 1 72 ARG HB3 1 72 ARG HD3 2.700 . 3.600 2.149 2.149 2.149 . 0 0 "[ ]" 1
1065 1 72 ARG HB3 1 73 VAL H 3.600 . 5.200 3.806 3.806 3.806 . 0 0 "[ ]" 1
1066 1 72 ARG HD3 1 72 ARG HG2 2.800 . 3.800 2.956 2.956 2.956 . 0 0 "[ ]" 1
1067 1 73 VAL H 1 73 VAL HA 2.800 . 3.800 2.947 2.947 2.947 . 0 0 "[ ]" 1
1068 1 73 VAL H 1 73 VAL HB 3.700 . 5.400 3.799 3.799 3.799 . 0 0 "[ ]" 1
1069 1 73 VAL H 1 73 VAL MG1 2.900 . 4.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
1070 1 73 VAL H 1 74 HIS H 4.100 . 6.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
1071 1 73 VAL HA 1 73 VAL HB 2.400 . 3.100 2.474 2.474 2.474 . 0 0 "[ ]" 1
1072 1 73 VAL HA 1 73 VAL MG1 2.400 . 3.100 2.379 2.379 2.379 . 0 0 "[ ]" 1
1073 1 73 VAL HA 1 73 VAL MG2 3.200 . 4.500 3.202 3.202 3.202 . 0 0 "[ ]" 1
1074 1 73 VAL HA 1 74 HIS H 2.300 . 3.000 2.398 2.398 2.398 . 0 0 "[ ]" 1
1075 1 73 VAL HB 1 73 VAL MG1 2.200 . 2.800 2.117 2.117 2.117 . 0 0 "[ ]" 1
1076 1 73 VAL HB 1 73 VAL MG2 2.100 . 2.700 2.124 2.124 2.124 . 0 0 "[ ]" 1
1077 1 73 VAL HB 1 74 HIS H 2.400 . 3.100 2.359 2.359 2.359 . 0 0 "[ ]" 1
1078 1 73 VAL MG1 1 74 HIS H 3.600 . 5.200 3.596 3.596 3.596 . 0 0 "[ ]" 1
1079 1 73 VAL MG2 1 74 HIS H 3.600 . 5.300 3.437 3.437 3.437 . 0 0 "[ ]" 1
1080 1 74 HIS H 1 74 HIS HB2 3.900 . 5.800 3.509 3.509 3.509 . 0 0 "[ ]" 1
1081 1 74 HIS H 1 74 HIS HD2 3.200 . 4.500 4.517 4.517 4.517 0.017 1 0 "[ ]" 1
1082 1 74 HIS HA 1 74 HIS HB2 2.600 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
1083 1 74 HIS HA 1 74 HIS HB3 2.700 . 3.600 2.978 2.978 2.978 . 0 0 "[ ]" 1
1084 1 74 HIS HA 1 74 HIS HD2 3.700 . 5.400 4.787 4.787 4.787 . 0 0 "[ ]" 1
1085 1 74 HIS HA 1 75 PRO HD2 2.400 . 3.100 2.034 2.034 2.034 . 0 0 "[ ]" 1
1086 1 74 HIS HA 1 75 PRO HD3 2.500 . 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 1
1087 1 74 HIS HB2 1 75 PRO HD2 2.800 . 3.800 3.240 3.240 3.240 . 0 0 "[ ]" 1
1088 1 74 HIS HB2 1 75 PRO HD3 3.400 . 4.800 4.550 4.550 4.550 . 0 0 "[ ]" 1
1089 1 74 HIS HB3 1 74 HIS HD2 3.300 . 4.600 2.712 2.712 2.712 . 0 0 "[ ]" 1
1090 1 74 HIS HB3 1 75 PRO HD3 3.900 . 5.800 5.243 5.243 5.243 . 0 0 "[ ]" 1
1091 1 75 PRO HA 1 75 PRO HB3 2.500 . 3.300 2.266 2.266 2.266 . 0 0 "[ ]" 1
1092 1 75 PRO HA 1 75 PRO HD2 3.800 . 5.600 4.054 4.054 4.054 . 0 0 "[ ]" 1
1093 1 75 PRO HA 1 75 PRO HD3 3.500 . 5.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
1094 1 75 PRO HA 1 75 PRO HG2 4.000 . 6.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
1095 1 75 PRO HA 1 76 TYR H 2.100 . 2.700 2.150 2.150 2.150 . 0 0 "[ ]" 1
1096 1 75 PRO HA 1 77 VAL H 4.700 . 6.000 4.034 4.034 4.034 . 0 0 "[ ]" 1
1097 1 75 PRO HB2 1 75 PRO HD2 3.800 . 5.600 4.044 4.044 4.044 . 0 0 "[ ]" 1
1098 1 75 PRO HB2 1 75 PRO HD3 4.200 . 6.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
1099 1 75 PRO HB3 1 75 PRO HD2 4.200 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
1100 1 75 PRO HB3 1 75 PRO HD3 3.500 . 5.000 2.982 2.982 2.982 . 0 0 "[ ]" 1
1101 1 75 PRO HB3 1 76 TYR H 3.400 . 4.900 3.812 3.812 3.812 . 0 0 "[ ]" 1
1102 1 75 PRO HD2 1 75 PRO HG2 2.600 . 3.400 2.317 2.317 2.317 . 0 0 "[ ]" 1
1103 1 75 PRO HG2 1 76 TYR H 3.600 . 5.200 5.126 5.126 5.126 . 0 0 "[ ]" 1
1104 1 76 TYR H 1 76 TYR HA 2.800 . 3.800 2.835 2.835 2.835 . 0 0 "[ ]" 1
1105 1 76 TYR H 1 76 TYR HB2 2.400 . 3.100 2.625 2.625 2.625 . 0 0 "[ ]" 1
1106 1 76 TYR H 1 76 TYR QD 4.300 . 6.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
1107 1 76 TYR H 1 77 VAL H 3.500 . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
1108 1 76 TYR H 1 77 VAL MG1 4.400 . 6.000 4.340 4.340 4.340 . 0 0 "[ ]" 1
1109 1 76 TYR HA 1 76 TYR HB2 2.600 . 3.500 2.426 2.426 2.426 . 0 0 "[ ]" 1
1110 1 76 TYR HA 1 76 TYR HB3 2.700 . 3.600 3.024 3.024 3.024 . 0 0 "[ ]" 1
1111 1 76 TYR HA 1 76 TYR QD 2.500 . 3.300 2.555 2.555 2.555 . 0 0 "[ ]" 1
1112 1 76 TYR HA 1 76 TYR QE 4.100 . 6.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
1113 1 76 TYR HA 1 77 VAL MG1 3.900 . 5.800 4.877 4.877 4.877 . 0 0 "[ ]" 1
1114 1 76 TYR HB2 1 76 TYR QD 2.400 . 3.100 2.565 2.565 2.565 . 0 0 "[ ]" 1
1115 1 76 TYR HB3 1 76 TYR QD 2.600 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
1116 1 76 TYR HB3 1 77 VAL H 3.100 . 4.300 2.588 2.588 2.588 . 0 0 "[ ]" 1
1117 1 76 TYR QD 1 77 VAL H 3.400 . 4.900 3.596 3.596 3.596 . 0 0 "[ ]" 1
1118 1 77 VAL H 1 77 VAL HA 2.800 . 3.800 2.900 2.900 2.900 . 0 0 "[ ]" 1
1119 1 77 VAL H 1 77 VAL HB 2.700 . 3.600 3.375 3.375 3.375 . 0 0 "[ ]" 1
1120 1 77 VAL H 1 78 HIS H 3.900 . 5.800 4.293 4.293 4.293 . 0 0 "[ ]" 1
1121 1 77 VAL H 1 78 HIS HE1 3.700 . 5.400 5.393 5.393 5.393 . 0 0 "[ ]" 1
1122 1 77 VAL HA 1 77 VAL HB 2.700 . 3.600 2.454 2.454 2.454 . 0 0 "[ ]" 1
1123 1 77 VAL HA 1 78 HIS H 2.200 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
1124 1 77 VAL HB 1 77 VAL MG1 2.200 . 2.800 2.083 2.083 2.083 . 0 0 "[ ]" 1
1125 1 77 VAL HB 1 77 VAL MG2 2.200 . 2.800 2.126 2.126 2.126 . 0 0 "[ ]" 1
1126 1 77 VAL HB 1 78 HIS H 3.800 . 5.600 4.050 4.050 4.050 . 0 0 "[ ]" 1
1127 1 77 VAL MG1 1 78 HIS H 3.500 . 5.100 3.818 3.818 3.818 . 0 0 "[ ]" 1
1128 1 78 HIS H 1 78 HIS HA 2.800 . 3.800 2.925 2.925 2.925 . 0 0 "[ ]" 1
1129 1 78 HIS H 1 78 HIS HB2 3.100 . 4.300 2.662 2.662 2.662 . 0 0 "[ ]" 1
1130 1 78 HIS H 1 78 HIS HB3 3.200 . 4.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
1131 1 78 HIS H 1 78 HIS HD2 3.800 . 5.600 5.597 5.597 5.597 . 0 0 "[ ]" 1
1132 1 78 HIS HA 1 78 HIS HB2 2.800 . 3.800 2.950 2.950 2.950 . 0 0 "[ ]" 1
1133 1 78 HIS HA 1 78 HIS HB3 2.600 . 3.400 2.723 2.723 2.723 . 0 0 "[ ]" 1
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