NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408709 |
1z2g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z2g
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 600
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 3 GLU 0.000 0.000 . 0 "[ ]"
1 4 THR 0.000 0.000 . 0 "[ ]"
1 5 ASP 0.000 0.000 . 0 "[ ]"
1 6 LYS 0.000 0.000 . 0 "[ ]"
1 11 GLU 0.000 0.000 . 0 "[ ]"
1 12 ASN 0.000 0.000 . 0 "[ ]"
1 13 HIS 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.000 0.000 . 0 "[ ]"
1 16 CYS 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.000 0.000 . 0 "[ ]"
1 18 ASP 0.000 0.000 . 0 "[ ]"
1 19 LYS 0.000 0.000 . 0 "[ ]"
1 20 PRO 0.000 0.000 . 0 "[ ]"
1 21 LYS 0.000 0.000 . 0 "[ ]"
1 22 PRO 0.000 0.000 . 0 "[ ]"
1 23 CYS 0.000 0.000 . 0 "[ ]"
1 24 CYS 0.000 0.000 . 0 "[ ]"
1 25 VAL 0.000 0.000 . 0 "[ ]"
1 26 CYS 0.000 0.000 . 0 "[ ]"
1 27 LYS 0.000 0.000 . 0 "[ ]"
1 28 PRO 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.000 0.000 . 0 "[ ]"
1 31 GLU 0.000 0.000 . 0 "[ ]"
1 32 GLU 0.000 0.000 . 0 "[ ]"
1 33 ARG 0.000 0.000 . 0 "[ ]"
1 34 ASP 0.000 0.000 . 0 "[ ]"
1 35 THR 0.000 0.000 . 0 "[ ]"
1 36 CYS 0.000 0.000 . 0 "[ ]"
1 37 ILE 0.000 0.000 . 0 "[ ]"
1 38 LEU 0.000 0.000 . 0 "[ ]"
1 39 PHE 0.000 0.000 . 0 "[ ]"
1 40 ASN 0.000 0.000 . 0 "[ ]"
1 41 GLY 0.000 0.000 . 0 "[ ]"
1 42 GLN 0.000 0.000 . 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 SER 0.000 0.000 . 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LYS 0.000 0.000 . 0 "[ ]"
1 47 CYS 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 GLU 0.000 0.000 . 0 "[ ]"
1 50 PHE 0.000 0.000 . 0 "[ ]"
1 51 ILE 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.000 0.000 . 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 54 TYR 0.000 0.000 . 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 56 GLU 0.000 0.000 . 0 "[ ]"
1 57 CYS 0.000 0.000 . 0 "[ ]"
1 58 MET 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 60 GLY 0.000 0.000 . 0 "[ ]"
1 61 TYR 0.000 0.000 . 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 PHE 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.000 0.000 . 0 "[ ]"
1 68 ALA 0.000 0.000 . 0 "[ ]"
1 69 ASN 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 3 GLU HA 1 3 GLU HB3 . . 2.600 2.386 2.386 2.386 . 0 0 "[ ]" 1
2 1 3 GLU HA 1 3 GLU HG2 . . 3.600 3.399 3.399 3.399 . 0 0 "[ ]" 1
3 1 3 GLU HA 1 3 GLU HG3 . . 3.900 3.703 3.703 3.703 . 0 0 "[ ]" 1
4 1 3 GLU HB2 1 3 GLU HG2 . . 2.600 2.422 2.422 2.422 . 0 0 "[ ]" 1
5 1 3 GLU HB2 1 3 GLU HG3 . . 2.800 2.561 2.561 2.561 . 0 0 "[ ]" 1
6 1 3 GLU HB2 1 4 THR HA . . 4.700 4.529 4.529 4.529 . 0 0 "[ ]" 1
7 1 3 GLU HB3 1 3 GLU HG3 . . 2.600 2.382 2.382 2.382 . 0 0 "[ ]" 1
8 1 4 THR HB 1 5 ASP HA . . 4.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
9 1 4 THR HB 1 5 ASP HB2 . . 4.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
10 1 4 THR HB 1 5 ASP HB3 . . 4.800 4.547 4.547 4.547 . 0 0 "[ ]" 1
11 1 5 ASP HA 1 5 ASP HB2 . . 2.600 2.346 2.346 2.346 . 0 0 "[ ]" 1
12 1 5 ASP HA 1 6 LYS HA . . 4.700 4.507 4.507 4.507 . 0 0 "[ ]" 1
13 1 5 ASP HB3 1 6 LYS HA . . 4.500 4.352 4.352 4.352 . 0 0 "[ ]" 1
14 1 5 ASP HB3 1 6 LYS HB3 . . 4.300 4.143 4.143 4.143 . 0 0 "[ ]" 1
15 1 6 LYS HA 1 6 LYS HB2 . . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
16 1 6 LYS HA 1 6 LYS HB3 . . 2.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
17 1 11 GLU HA 1 11 GLU HB2 . . 2.700 2.493 2.493 2.493 . 0 0 "[ ]" 1
18 1 11 GLU HA 1 12 ASN H . . 3.800 3.600 3.600 3.600 . 0 0 "[ ]" 1
19 1 11 GLU HB2 1 12 ASN H . . 3.900 3.709 3.709 3.709 . 0 0 "[ ]" 1
20 1 11 GLU HB3 1 12 ASN H . . 2.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
21 1 11 GLU HB3 1 12 ASN HB2 . . 4.200 3.983 3.983 3.983 . 0 0 "[ ]" 1
22 1 11 GLU HB3 1 12 ASN HB3 . . 3.800 3.560 3.560 3.560 . 0 0 "[ ]" 1
23 1 12 ASN H 1 12 ASN HB2 . . 3.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
24 1 12 ASN H 1 12 ASN HB3 . . 2.800 2.593 2.593 2.593 . 0 0 "[ ]" 1
25 1 12 ASN H 1 13 HIS H . . 4.400 4.198 4.198 4.198 . 0 0 "[ ]" 1
26 1 12 ASN HA 1 12 ASN HB2 . . 2.600 2.407 2.407 2.407 . 0 0 "[ ]" 1
27 1 12 ASN HA 1 13 HIS H . . 2.400 2.154 2.154 2.154 . 0 0 "[ ]" 1
28 1 12 ASN HB2 1 13 HIS H . . 4.500 4.313 4.313 4.313 . 0 0 "[ ]" 1
29 1 12 ASN HB3 1 13 HIS H . . 4.600 4.427 4.427 4.427 . 0 0 "[ ]" 1
30 1 15 GLU HA 1 15 GLU HB2 . . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
31 1 15 GLU HA 1 15 GLU HB3 . . 2.600 2.355 2.355 2.355 . 0 0 "[ ]" 1
32 1 15 GLU HA 1 17 GLU H . . 3.800 3.599 3.599 3.599 . 0 0 "[ ]" 1
33 1 15 GLU HB2 1 17 GLU H . . 4.700 4.516 4.516 4.516 . 0 0 "[ ]" 1
34 1 16 CYS HA 1 17 GLU H . . 3.800 3.559 3.559 3.559 . 0 0 "[ ]" 1
35 1 17 GLU H 1 17 GLU HB2 . . 3.900 3.658 3.658 3.658 . 0 0 "[ ]" 1
36 1 17 GLU H 1 17 GLU HB3 . . 2.900 2.669 2.669 2.669 . 0 0 "[ ]" 1
37 1 17 GLU HB2 1 19 LYS HB2 . . 3.600 3.400 3.400 3.400 . 0 0 "[ ]" 1
38 1 18 ASP HA 1 18 ASP HB2 . . 2.600 2.430 2.430 2.430 . 0 0 "[ ]" 1
39 1 18 ASP HA 1 19 LYS HA . . 4.700 4.470 4.470 4.470 . 0 0 "[ ]" 1
40 1 18 ASP HA 1 20 PRO HD3 . . 4.600 4.419 4.419 4.419 . 0 0 "[ ]" 1
41 1 19 LYS HA 1 19 LYS HB3 . . 2.700 2.464 2.464 2.464 . 0 0 "[ ]" 1
42 1 19 LYS HA 1 20 PRO HD2 . . 2.300 2.144 2.144 2.144 . 0 0 "[ ]" 1
43 1 19 LYS HA 1 20 PRO HD3 . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
44 1 19 LYS HB3 1 20 PRO HD2 . . 4.300 4.060 4.060 4.060 . 0 0 "[ ]" 1
45 1 20 PRO HA 1 20 PRO HD2 . . 4.300 4.086 4.086 4.086 . 0 0 "[ ]" 1
46 1 20 PRO HA 1 20 PRO HD3 . . 3.700 3.507 3.507 3.507 . 0 0 "[ ]" 1
47 1 20 PRO HA 1 21 LYS H . . 2.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
48 1 21 LYS H 1 22 PRO HA . . 4.800 4.555 4.555 4.555 . 0 0 "[ ]" 1
49 1 22 PRO HA 1 23 CYS H . . 3.700 3.512 3.512 3.512 . 0 0 "[ ]" 1
50 1 23 CYS H 1 24 CYS H . . 4.600 4.398 4.398 4.398 . 0 0 "[ ]" 1
51 1 24 CYS H 1 24 CYS HB2 . . 3.800 3.597 3.597 3.597 . 0 0 "[ ]" 1
52 1 24 CYS H 1 24 CYS HB3 . . 4.300 4.103 4.103 4.103 . 0 0 "[ ]" 1
53 1 24 CYS H 1 25 VAL H . . 4.300 4.143 4.143 4.143 . 0 0 "[ ]" 1
54 1 24 CYS HB2 1 25 VAL H . . 2.400 2.152 2.152 2.152 . 0 0 "[ ]" 1
55 1 24 CYS HB2 1 25 VAL HA . . 4.400 4.215 4.215 4.215 . 0 0 "[ ]" 1
56 1 24 CYS HB2 1 61 TYR H . . 4.400 4.182 4.182 4.182 . 0 0 "[ ]" 1
57 1 24 CYS HB2 1 61 TYR HA . . 3.100 2.902 2.902 2.902 . 0 0 "[ ]" 1
58 1 24 CYS HB2 1 61 TYR HB2 . . 3.100 2.861 2.861 2.861 . 0 0 "[ ]" 1
59 1 24 CYS HB2 1 61 TYR HB3 . . 4.700 4.476 4.476 4.476 . 0 0 "[ ]" 1
60 1 24 CYS HB3 1 25 VAL H . . 2.900 2.713 2.713 2.713 . 0 0 "[ ]" 1
61 1 24 CYS HB3 1 25 VAL HA . . 4.300 4.104 4.104 4.104 . 0 0 "[ ]" 1
62 1 24 CYS HB3 1 57 CYS HA . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
63 1 24 CYS HB3 1 61 TYR H . . 3.400 3.155 3.155 3.155 . 0 0 "[ ]" 1
64 1 24 CYS HB3 1 61 TYR HA . . 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 1
65 1 24 CYS HB3 1 61 TYR HB2 . . 2.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
66 1 24 CYS HB3 1 61 TYR HB3 . . 4.200 3.986 3.986 3.986 . 0 0 "[ ]" 1
67 1 25 VAL H 1 25 VAL HA . . 2.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
68 1 25 VAL H 1 25 VAL HB . . 4.200 3.961 3.961 3.961 . 0 0 "[ ]" 1
69 1 25 VAL H 1 25 VAL MG1 . . 3.400 2.404 2.404 2.404 . 0 0 "[ ]" 1
70 1 25 VAL H 1 25 VAL MG2 . . 4.100 3.098 3.098 3.098 . 0 0 "[ ]" 1
71 1 25 VAL H 1 61 TYR HA . . 4.400 4.197 4.197 4.197 . 0 0 "[ ]" 1
72 1 25 VAL H 1 61 TYR HB2 . . 3.200 2.949 2.949 2.949 . 0 0 "[ ]" 1
73 1 25 VAL H 1 61 TYR HB3 . . 4.600 4.440 4.440 4.440 . 0 0 "[ ]" 1
74 1 25 VAL HA 1 25 VAL HB . . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
75 1 25 VAL HA 1 25 VAL MG1 . . 3.100 2.271 2.271 2.271 . 0 0 "[ ]" 1
76 1 25 VAL HA 1 26 CYS H . . 3.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
77 1 25 VAL HA 1 26 CYS HB2 . . 4.600 4.355 4.355 4.355 . 0 0 "[ ]" 1
78 1 25 VAL HA 1 61 TYR HB2 . . 3.500 3.276 3.276 3.276 . 0 0 "[ ]" 1
79 1 25 VAL HA 1 61 TYR HB3 . . 4.300 4.093 4.093 4.093 . 0 0 "[ ]" 1
80 1 25 VAL HB 1 26 CYS H . . 2.200 1.992 1.992 1.992 . 0 0 "[ ]" 1
81 1 25 VAL HB 1 27 LYS H . . 3.700 3.494 3.494 3.494 . 0 0 "[ ]" 1
82 1 25 VAL MG1 1 26 CYS H . . 4.500 3.656 3.656 3.656 . 0 0 "[ ]" 1
83 1 25 VAL MG2 1 26 CYS H . . 3.200 2.213 2.213 2.213 . 0 0 "[ ]" 1
84 1 25 VAL MG2 1 26 CYS HA . . 4.700 3.371 3.371 3.371 . 0 0 "[ ]" 1
85 1 25 VAL MG2 1 27 LYS H . . 3.300 2.204 2.204 2.204 . 0 0 "[ ]" 1
86 1 26 CYS H 1 26 CYS HA . . 3.000 2.770 2.770 2.770 . 0 0 "[ ]" 1
87 1 26 CYS H 1 26 CYS HB2 . . 3.700 3.462 3.462 3.462 . 0 0 "[ ]" 1
88 1 26 CYS H 1 26 CYS HB3 . . 3.700 3.523 3.523 3.523 . 0 0 "[ ]" 1
89 1 26 CYS H 1 27 LYS H . . 2.300 2.073 2.073 2.073 . 0 0 "[ ]" 1
90 1 26 CYS H 1 27 LYS HA . . 4.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
91 1 26 CYS H 1 28 PRO HD2 . . 4.600 4.432 4.432 4.432 . 0 0 "[ ]" 1
92 1 26 CYS HA 1 26 CYS HB2 . . 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
93 1 26 CYS HA 1 27 LYS H . . 3.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
94 1 26 CYS HA 1 28 PRO HD2 . . 3.800 3.621 3.621 3.621 . 0 0 "[ ]" 1
95 1 26 CYS HA 1 29 GLU H . . 4.200 4.037 4.037 4.037 . 0 0 "[ ]" 1
96 1 26 CYS HA 1 29 GLU HB2 . . 4.300 4.095 4.095 4.095 . 0 0 "[ ]" 1
97 1 26 CYS HA 1 30 LYS H . . 4.500 4.344 4.344 4.344 . 0 0 "[ ]" 1
98 1 26 CYS HB2 1 54 TYR HA . . 4.700 4.488 4.488 4.488 . 0 0 "[ ]" 1
99 1 26 CYS HB2 1 54 TYR HD1 . . 4.200 4.022 4.022 4.022 . 0 0 "[ ]" 1
100 1 26 CYS HB2 1 54 TYR HE1 . . 4.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
101 1 26 CYS HB2 1 58 MET H . . 4.400 4.231 4.231 4.231 . 0 0 "[ ]" 1
102 1 26 CYS HB3 1 27 LYS H . . 4.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
103 1 26 CYS HB3 1 27 LYS HA . . 4.700 4.489 4.489 4.489 . 0 0 "[ ]" 1
104 1 26 CYS HB3 1 29 GLU HB2 . . 4.700 4.463 4.463 4.463 . 0 0 "[ ]" 1
105 1 26 CYS HB3 1 30 LYS H . . 3.900 3.711 3.711 3.711 . 0 0 "[ ]" 1
106 1 26 CYS HB3 1 30 LYS HB2 . . 3.200 2.994 2.994 2.994 . 0 0 "[ ]" 1
107 1 26 CYS HB3 1 30 LYS HB3 . . 4.200 4.026 4.026 4.026 . 0 0 "[ ]" 1
108 1 26 CYS HB3 1 54 TYR HA . . 4.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
109 1 26 CYS HB3 1 54 TYR HD1 . . 3.200 3.030 3.030 3.030 . 0 0 "[ ]" 1
110 1 26 CYS HB3 1 54 TYR HE1 . . 2.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
111 1 27 LYS H 1 27 LYS HA . . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
112 1 27 LYS H 1 28 PRO HD2 . . 2.700 2.510 2.510 2.510 . 0 0 "[ ]" 1
113 1 27 LYS H 1 28 PRO HD3 . . 3.700 3.530 3.530 3.530 . 0 0 "[ ]" 1
114 1 27 LYS H 1 29 GLU H . . 4.700 4.493 4.493 4.493 . 0 0 "[ ]" 1
115 1 27 LYS HA 1 28 PRO HD2 . . 4.200 3.975 3.975 3.975 . 0 0 "[ ]" 1
116 1 27 LYS HA 1 28 PRO HD3 . . 4.500 4.255 4.255 4.255 . 0 0 "[ ]" 1
117 1 27 LYS HA 1 30 LYS H . . 4.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
118 1 27 LYS HA 1 30 LYS HB2 . . 4.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
119 1 27 LYS HA 1 30 LYS HB3 . . 3.300 3.091 3.091 3.091 . 0 0 "[ ]" 1
120 1 27 LYS HA 1 31 GLU H . . 4.200 4.002 4.002 4.002 . 0 0 "[ ]" 1
121 1 28 PRO HA 1 28 PRO HB3 . . 2.500 2.271 2.271 2.271 . 0 0 "[ ]" 1
122 1 28 PRO HA 1 28 PRO HD2 . . 4.300 4.067 4.067 4.067 . 0 0 "[ ]" 1
123 1 28 PRO HA 1 28 PRO HD3 . . 3.600 3.416 3.416 3.416 . 0 0 "[ ]" 1
124 1 28 PRO HA 1 28 PRO HG2 . . 4.100 3.879 3.879 3.879 . 0 0 "[ ]" 1
125 1 28 PRO HA 1 28 PRO HG3 . . 4.200 4.037 4.037 4.037 . 0 0 "[ ]" 1
126 1 28 PRO HA 1 29 GLU H . . 3.900 3.662 3.662 3.662 . 0 0 "[ ]" 1
127 1 28 PRO HA 1 30 LYS H . . 4.700 4.537 4.537 4.537 . 0 0 "[ ]" 1
128 1 28 PRO HA 1 31 GLU H . . 3.700 3.518 3.518 3.518 . 0 0 "[ ]" 1
129 1 28 PRO HA 1 31 GLU HB2 . . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 1
130 1 28 PRO HA 1 31 GLU HB3 . . 4.400 4.231 4.231 4.231 . 0 0 "[ ]" 1
131 1 28 PRO HA 1 32 GLU H . . 4.100 3.858 3.858 3.858 . 0 0 "[ ]" 1
132 1 28 PRO HA 1 32 GLU HG3 . . 4.200 3.984 3.984 3.984 . 0 0 "[ ]" 1
133 1 28 PRO HB2 1 28 PRO HD2 . . 4.300 4.110 4.110 4.110 . 0 0 "[ ]" 1
134 1 28 PRO HB2 1 28 PRO HD3 . . 4.100 3.914 3.914 3.914 . 0 0 "[ ]" 1
135 1 28 PRO HB2 1 28 PRO HG2 . . 2.600 2.370 2.370 2.370 . 0 0 "[ ]" 1
136 1 28 PRO HB2 1 28 PRO HG3 . . 2.900 2.737 2.737 2.737 . 0 0 "[ ]" 1
137 1 28 PRO HB2 1 29 GLU H . . 3.400 3.225 3.225 3.225 . 0 0 "[ ]" 1
138 1 28 PRO HB2 1 29 GLU HA . . 4.200 3.982 3.982 3.982 . 0 0 "[ ]" 1
139 1 28 PRO HB2 1 29 GLU HG3 . . 3.600 3.439 3.439 3.439 . 0 0 "[ ]" 1
140 1 28 PRO HB2 1 32 GLU HG3 . . 4.100 3.892 3.892 3.892 . 0 0 "[ ]" 1
141 1 28 PRO HB3 1 28 PRO HD2 . . 4.100 3.883 3.883 3.883 . 0 0 "[ ]" 1
142 1 28 PRO HB3 1 28 PRO HD3 . . 3.100 2.921 2.921 2.921 . 0 0 "[ ]" 1
143 1 28 PRO HB3 1 28 PRO HG3 . . 2.600 2.375 2.375 2.375 . 0 0 "[ ]" 1
144 1 28 PRO HB3 1 29 GLU H . . 4.400 4.170 4.170 4.170 . 0 0 "[ ]" 1
145 1 28 PRO HD2 1 28 PRO HG2 . . 2.500 2.340 2.340 2.340 . 0 0 "[ ]" 1
146 1 28 PRO HD2 1 28 PRO HG3 . . 2.900 2.711 2.711 2.711 . 0 0 "[ ]" 1
147 1 28 PRO HD2 1 29 GLU H . . 3.200 2.972 2.972 2.972 . 0 0 "[ ]" 1
148 1 28 PRO HD3 1 28 PRO HG3 . . 2.600 2.354 2.354 2.354 . 0 0 "[ ]" 1
149 1 28 PRO HD3 1 29 GLU H . . 4.300 4.067 4.067 4.067 . 0 0 "[ ]" 1
150 1 28 PRO HG2 1 29 GLU H . . 2.500 2.345 2.345 2.345 . 0 0 "[ ]" 1
151 1 28 PRO HG2 1 29 GLU HA . . 4.700 4.482 4.482 4.482 . 0 0 "[ ]" 1
152 1 28 PRO HG2 1 29 GLU HG2 . . 4.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
153 1 28 PRO HG2 1 29 GLU HG3 . . 3.100 2.894 2.894 2.894 . 0 0 "[ ]" 1
154 1 28 PRO HG3 1 29 GLU H . . 4.200 3.946 3.946 3.946 . 0 0 "[ ]" 1
155 1 28 PRO HG3 1 29 GLU HG3 . . 4.700 4.544 4.544 4.544 . 0 0 "[ ]" 1
156 1 29 GLU H 1 29 GLU HA . . 3.000 2.836 2.836 2.836 . 0 0 "[ ]" 1
157 1 29 GLU H 1 29 GLU HB2 . . 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
158 1 29 GLU H 1 29 GLU HB3 . . 3.800 3.581 3.581 3.581 . 0 0 "[ ]" 1
159 1 29 GLU H 1 29 GLU HG2 . . 3.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
160 1 29 GLU H 1 29 GLU HG3 . . 2.600 2.394 2.394 2.394 . 0 0 "[ ]" 1
161 1 29 GLU H 1 30 LYS H . . 3.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
162 1 29 GLU H 1 31 GLU H . . 4.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
163 1 29 GLU HA 1 29 GLU HB3 . . 2.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
164 1 29 GLU HA 1 29 GLU HG2 . . 3.700 3.509 3.509 3.509 . 0 0 "[ ]" 1
165 1 29 GLU HA 1 29 GLU HG3 . . 2.800 2.582 2.582 2.582 . 0 0 "[ ]" 1
166 1 29 GLU HA 1 30 LYS H . . 3.800 3.613 3.613 3.613 . 0 0 "[ ]" 1
167 1 29 GLU HA 1 31 GLU H . . 4.700 4.539 4.539 4.539 . 0 0 "[ ]" 1
168 1 29 GLU HA 1 32 GLU H . . 3.600 3.351 3.351 3.351 . 0 0 "[ ]" 1
169 1 29 GLU HA 1 32 GLU HG3 . . 3.800 3.552 3.552 3.552 . 0 0 "[ ]" 1
170 1 29 GLU HA 1 33 ARG H . . 4.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
171 1 29 GLU HB2 1 29 GLU HG2 . . 2.900 2.726 2.726 2.726 . 0 0 "[ ]" 1
172 1 29 GLU HB2 1 30 LYS H . . 3.200 2.968 2.968 2.968 . 0 0 "[ ]" 1
173 1 29 GLU HB2 1 30 LYS HA . . 4.600 4.429 4.429 4.429 . 0 0 "[ ]" 1
174 1 29 GLU HB2 1 54 TYR HA . . 3.600 3.422 3.422 3.422 . 0 0 "[ ]" 1
175 1 29 GLU HB2 1 54 TYR HD1 . . 4.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
176 1 29 GLU HB3 1 29 GLU HG2 . . 2.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
177 1 29 GLU HB3 1 29 GLU HG3 . . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
178 1 29 GLU HB3 1 30 LYS H . . 4.300 4.115 4.115 4.115 . 0 0 "[ ]" 1
179 1 29 GLU HB3 1 50 PHE HA . . 4.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
180 1 29 GLU HB3 1 54 TYR H . . 4.700 4.533 4.533 4.533 . 0 0 "[ ]" 1
181 1 29 GLU HB3 1 54 TYR HA . . 4.300 4.114 4.114 4.114 . 0 0 "[ ]" 1
182 1 30 LYS H 1 30 LYS HA . . 3.100 2.873 2.873 2.873 . 0 0 "[ ]" 1
183 1 30 LYS H 1 30 LYS HB2 . . 2.900 2.713 2.713 2.713 . 0 0 "[ ]" 1
184 1 30 LYS H 1 30 LYS HB3 . . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
185 1 30 LYS H 1 31 GLU H . . 3.000 2.760 2.760 2.760 . 0 0 "[ ]" 1
186 1 30 LYS H 1 32 GLU H . . 4.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
187 1 30 LYS H 1 54 TYR HD1 . . 3.800 3.625 3.625 3.625 . 0 0 "[ ]" 1
188 1 30 LYS H 1 54 TYR HE1 . . 4.700 4.542 4.542 4.542 . 0 0 "[ ]" 1
189 1 30 LYS HA 1 30 LYS HB2 . . 2.600 2.394 2.394 2.394 . 0 0 "[ ]" 1
190 1 30 LYS HA 1 31 GLU H . . 3.800 3.631 3.631 3.631 . 0 0 "[ ]" 1
191 1 30 LYS HA 1 33 ARG H . . 3.500 3.319 3.319 3.319 . 0 0 "[ ]" 1
192 1 30 LYS HA 1 33 ARG HB2 . . 3.400 3.196 3.196 3.196 . 0 0 "[ ]" 1
193 1 30 LYS HA 1 33 ARG HB3 . . 2.600 2.420 2.420 2.420 . 0 0 "[ ]" 1
194 1 30 LYS HA 1 33 ARG HD3 . . 3.700 3.492 3.492 3.492 . 0 0 "[ ]" 1
195 1 30 LYS HA 1 34 ASP H . . 4.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
196 1 30 LYS HA 1 54 TYR HD1 . . 3.100 2.928 2.928 2.928 . 0 0 "[ ]" 1
197 1 30 LYS HA 1 54 TYR HE1 . . 4.200 3.974 3.974 3.974 . 0 0 "[ ]" 1
198 1 30 LYS HB2 1 31 GLU H . . 4.100 3.913 3.913 3.913 . 0 0 "[ ]" 1
199 1 30 LYS HB2 1 54 TYR HD1 . . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
200 1 30 LYS HB2 1 54 TYR HE1 . . 2.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
201 1 30 LYS HB3 1 31 GLU H . . 2.700 2.539 2.539 2.539 . 0 0 "[ ]" 1
202 1 30 LYS HB3 1 31 GLU HA . . 4.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
203 1 30 LYS HB3 1 54 TYR HD1 . . 4.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
204 1 30 LYS HB3 1 54 TYR HE1 . . 4.100 3.875 3.875 3.875 . 0 0 "[ ]" 1
205 1 31 GLU H 1 31 GLU HA . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
206 1 31 GLU H 1 31 GLU HB2 . . 2.600 2.396 2.396 2.396 . 0 0 "[ ]" 1
207 1 31 GLU H 1 31 GLU HB3 . . 3.800 3.570 3.570 3.570 . 0 0 "[ ]" 1
208 1 31 GLU H 1 32 GLU H . . 3.100 2.890 2.890 2.890 . 0 0 "[ ]" 1
209 1 31 GLU H 1 33 ARG H . . 4.400 4.220 4.220 4.220 . 0 0 "[ ]" 1
210 1 31 GLU HA 1 31 GLU HB3 . . 2.700 2.544 2.544 2.544 . 0 0 "[ ]" 1
211 1 31 GLU HA 1 32 GLU H . . 3.800 3.588 3.588 3.588 . 0 0 "[ ]" 1
212 1 31 GLU HA 1 33 ARG H . . 4.700 4.516 4.516 4.516 . 0 0 "[ ]" 1
213 1 31 GLU HA 1 34 ASP H . . 3.800 3.606 3.606 3.606 . 0 0 "[ ]" 1
214 1 31 GLU HA 1 34 ASP HB2 . . 4.400 4.162 4.162 4.162 . 0 0 "[ ]" 1
215 1 31 GLU HA 1 35 THR H . . 4.100 3.891 3.891 3.891 . 0 0 "[ ]" 1
216 1 31 GLU HB2 1 32 GLU H . . 2.800 2.629 2.629 2.629 . 0 0 "[ ]" 1
217 1 31 GLU HB2 1 32 GLU HG3 . . 3.900 3.731 3.731 3.731 . 0 0 "[ ]" 1
218 1 31 GLU HB3 1 32 GLU H . . 3.700 3.536 3.536 3.536 . 0 0 "[ ]" 1
219 1 32 GLU H 1 32 GLU HA . . 3.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
220 1 32 GLU H 1 32 GLU HG2 . . 3.800 3.603 3.603 3.603 . 0 0 "[ ]" 1
221 1 32 GLU H 1 32 GLU HG3 . . 2.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
222 1 32 GLU H 1 33 ARG H . . 3.100 2.874 2.874 2.874 . 0 0 "[ ]" 1
223 1 32 GLU HA 1 32 GLU HG2 . . 2.800 2.628 2.628 2.628 . 0 0 "[ ]" 1
224 1 32 GLU HA 1 32 GLU HG3 . . 3.100 2.886 2.886 2.886 . 0 0 "[ ]" 1
225 1 32 GLU HA 1 33 ARG H . . 3.800 3.624 3.624 3.624 . 0 0 "[ ]" 1
226 1 32 GLU HA 1 35 THR H . . 3.900 3.719 3.719 3.719 . 0 0 "[ ]" 1
227 1 32 GLU HA 1 35 THR HB . . 2.600 2.435 2.435 2.435 . 0 0 "[ ]" 1
228 1 32 GLU HA 1 36 CYS H . . 4.200 3.985 3.985 3.985 . 0 0 "[ ]" 1
229 1 32 GLU HG3 1 33 ARG H . . 4.700 4.483 4.483 4.483 . 0 0 "[ ]" 1
230 1 33 ARG H 1 33 ARG HA . . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
231 1 33 ARG H 1 33 ARG HB2 . . 2.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
232 1 33 ARG H 1 33 ARG HB3 . . 2.700 2.499 2.499 2.499 . 0 0 "[ ]" 1
233 1 33 ARG H 1 33 ARG HG2 . . 4.700 4.486 4.486 4.486 . 0 0 "[ ]" 1
234 1 33 ARG H 1 33 ARG HG3 . . 4.700 4.532 4.532 4.532 . 0 0 "[ ]" 1
235 1 33 ARG H 1 34 ASP H . . 3.200 3.038 3.038 3.038 . 0 0 "[ ]" 1
236 1 33 ARG H 1 35 THR H . . 4.400 4.190 4.190 4.190 . 0 0 "[ ]" 1
237 1 33 ARG H 1 50 PHE HB3 . . 3.600 3.407 3.407 3.407 . 0 0 "[ ]" 1
238 1 33 ARG HA 1 33 ARG HB2 . . 2.700 2.464 2.464 2.464 . 0 0 "[ ]" 1
239 1 33 ARG HA 1 33 ARG HG2 . . 3.100 2.871 2.871 2.871 . 0 0 "[ ]" 1
240 1 33 ARG HA 1 33 ARG HG3 . . 3.100 2.901 2.901 2.901 . 0 0 "[ ]" 1
241 1 33 ARG HA 1 34 ASP H . . 3.900 3.655 3.655 3.655 . 0 0 "[ ]" 1
242 1 33 ARG HA 1 35 THR H . . 4.700 4.521 4.521 4.521 . 0 0 "[ ]" 1
243 1 33 ARG HA 1 36 CYS H . . 3.600 3.380 3.380 3.380 . 0 0 "[ ]" 1
244 1 33 ARG HA 1 36 CYS HB3 . . 3.600 3.386 3.386 3.386 . 0 0 "[ ]" 1
245 1 33 ARG HA 1 37 ILE H . . 4.200 3.997 3.997 3.997 . 0 0 "[ ]" 1
246 1 33 ARG HA 1 50 PHE HB2 . . 2.800 2.637 2.637 2.637 . 0 0 "[ ]" 1
247 1 33 ARG HA 1 50 PHE HB3 . . 2.600 2.403 2.403 2.403 . 0 0 "[ ]" 1
248 1 33 ARG HB2 1 33 ARG HD2 . . 4.100 3.859 3.859 3.859 . 0 0 "[ ]" 1
249 1 33 ARG HB2 1 33 ARG HD3 . . 3.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
250 1 33 ARG HB2 1 33 ARG HG3 . . 2.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
251 1 33 ARG HB2 1 34 ASP H . . 4.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
252 1 33 ARG HB2 1 50 PHE HA . . 4.500 4.289 4.289 4.289 . 0 0 "[ ]" 1
253 1 33 ARG HB2 1 50 PHE HB2 . . 3.700 3.457 3.457 3.457 . 0 0 "[ ]" 1
254 1 33 ARG HB2 1 50 PHE HB3 . . 2.600 2.369 2.369 2.369 . 0 0 "[ ]" 1
255 1 33 ARG HB2 1 51 ILE HA . . 4.400 4.199 4.199 4.199 . 0 0 "[ ]" 1
256 1 33 ARG HB3 1 33 ARG HD2 . . 3.800 3.586 3.586 3.586 . 0 0 "[ ]" 1
257 1 33 ARG HB3 1 33 ARG HD3 . . 2.900 2.654 2.654 2.654 . 0 0 "[ ]" 1
258 1 33 ARG HB3 1 33 ARG HG2 . . 2.900 2.704 2.704 2.704 . 0 0 "[ ]" 1
259 1 33 ARG HB3 1 34 ASP H . . 2.600 2.364 2.364 2.364 . 0 0 "[ ]" 1
260 1 33 ARG HB3 1 34 ASP HA . . 4.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
261 1 33 ARG HB3 1 50 PHE HB3 . . 4.200 3.960 3.960 3.960 . 0 0 "[ ]" 1
262 1 33 ARG HD2 1 33 ARG HG2 . . 2.600 2.438 2.438 2.438 . 0 0 "[ ]" 1
263 1 33 ARG HD2 1 33 ARG HG3 . . 2.600 2.402 2.402 2.402 . 0 0 "[ ]" 1
264 1 33 ARG HD2 1 51 ILE HA . . 3.800 3.623 3.623 3.623 . 0 0 "[ ]" 1
265 1 33 ARG HD3 1 33 ARG HG3 . . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
266 1 33 ARG HD3 1 51 ILE HA . . 3.700 3.452 3.452 3.452 . 0 0 "[ ]" 1
267 1 33 ARG HD3 1 54 TYR HD1 . . 4.200 3.968 3.968 3.968 . 0 0 "[ ]" 1
268 1 33 ARG HG2 1 34 ASP H . . 3.700 3.511 3.511 3.511 . 0 0 "[ ]" 1
269 1 33 ARG HG2 1 34 ASP HA . . 3.600 3.410 3.410 3.410 . 0 0 "[ ]" 1
270 1 33 ARG HG2 1 37 ILE H . . 4.300 4.101 4.101 4.101 . 0 0 "[ ]" 1
271 1 33 ARG HG2 1 37 ILE HB . . 4.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
272 1 33 ARG HG2 1 50 PHE HB2 . . 4.400 4.221 4.221 4.221 . 0 0 "[ ]" 1
273 1 33 ARG HG2 1 50 PHE HB3 . . 4.600 4.375 4.375 4.375 . 0 0 "[ ]" 1
274 1 33 ARG HG3 1 47 CYS HB3 . . 4.700 4.491 4.491 4.491 . 0 0 "[ ]" 1
275 1 33 ARG HG3 1 50 PHE HB2 . . 3.400 3.160 3.160 3.160 . 0 0 "[ ]" 1
276 1 33 ARG HG3 1 50 PHE HB3 . . 3.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
277 1 33 ARG HG3 1 51 ILE H . . 4.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
278 1 33 ARG HG3 1 51 ILE HA . . 3.200 3.002 3.002 3.002 . 0 0 "[ ]" 1
279 1 34 ASP H 1 34 ASP HA . . 3.000 2.833 2.833 2.833 . 0 0 "[ ]" 1
280 1 34 ASP H 1 34 ASP HB2 . . 3.500 3.328 3.328 3.328 . 0 0 "[ ]" 1
281 1 34 ASP H 1 34 ASP HB3 . . 3.700 3.517 3.517 3.517 . 0 0 "[ ]" 1
282 1 34 ASP H 1 35 THR H . . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
283 1 34 ASP H 1 36 CYS H . . 4.500 4.301 4.301 4.301 . 0 0 "[ ]" 1
284 1 34 ASP HA 1 34 ASP HB2 . . 3.100 2.905 2.905 2.905 . 0 0 "[ ]" 1
285 1 34 ASP HA 1 34 ASP HB3 . . 2.400 2.184 2.184 2.184 . 0 0 "[ ]" 1
286 1 34 ASP HA 1 35 THR H . . 3.800 3.545 3.545 3.545 . 0 0 "[ ]" 1
287 1 34 ASP HA 1 36 CYS H . . 4.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
288 1 34 ASP HA 1 37 ILE H . . 3.400 3.235 3.235 3.235 . 0 0 "[ ]" 1
289 1 34 ASP HA 1 37 ILE HB . . 2.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
290 1 34 ASP HA 1 37 ILE MG . . 4.700 3.698 3.698 3.698 . 0 0 "[ ]" 1
291 1 34 ASP HA 1 38 LEU H . . 4.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
292 1 34 ASP HB2 1 35 THR H . . 3.400 3.169 3.169 3.169 . 0 0 "[ ]" 1
293 1 34 ASP HB2 1 35 THR HA . . 4.400 4.235 4.235 4.235 . 0 0 "[ ]" 1
294 1 34 ASP HB3 1 35 THR H . . 4.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
295 1 34 ASP HB3 1 37 ILE HB . . 4.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
296 1 35 THR H 1 35 THR HA . . 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
297 1 35 THR H 1 35 THR HB . . 2.700 2.472 2.472 2.472 . 0 0 "[ ]" 1
298 1 35 THR H 1 36 CYS H . . 3.100 2.869 2.869 2.869 . 0 0 "[ ]" 1
299 1 35 THR H 1 37 ILE H . . 4.400 4.230 4.230 4.230 . 0 0 "[ ]" 1
300 1 35 THR HA 1 36 CYS H . . 3.800 3.638 3.638 3.638 . 0 0 "[ ]" 1
301 1 35 THR HA 1 37 ILE H . . 4.800 4.546 4.546 4.546 . 0 0 "[ ]" 1
302 1 35 THR HA 1 38 LEU H . . 3.700 3.533 3.533 3.533 . 0 0 "[ ]" 1
303 1 35 THR HA 1 38 LEU HG . . 4.300 4.128 4.128 4.128 . 0 0 "[ ]" 1
304 1 35 THR HA 1 39 PHE H . . 4.100 3.859 3.859 3.859 . 0 0 "[ ]" 1
305 1 35 THR HB 1 36 CYS H . . 3.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
306 1 35 THR HB 1 36 CYS HB3 . . 4.600 4.427 4.427 4.427 . 0 0 "[ ]" 1
307 1 36 CYS H 1 36 CYS HA . . 3.100 2.852 2.852 2.852 . 0 0 "[ ]" 1
308 1 36 CYS H 1 36 CYS HB2 . . 3.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
309 1 36 CYS H 1 36 CYS HB3 . . 2.600 2.375 2.375 2.375 . 0 0 "[ ]" 1
310 1 36 CYS H 1 37 ILE H . . 2.900 2.665 2.665 2.665 . 0 0 "[ ]" 1
311 1 36 CYS H 1 38 LEU H . . 4.600 4.362 4.362 4.362 . 0 0 "[ ]" 1
312 1 36 CYS HA 1 36 CYS HB2 . . 2.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
313 1 36 CYS HA 1 36 CYS HB3 . . 2.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
314 1 36 CYS HA 1 37 ILE H . . 3.800 3.562 3.562 3.562 . 0 0 "[ ]" 1
315 1 36 CYS HA 1 39 PHE H . . 3.700 3.501 3.501 3.501 . 0 0 "[ ]" 1
316 1 36 CYS HA 1 39 PHE HB2 . . 2.800 2.643 2.643 2.643 . 0 0 "[ ]" 1
317 1 36 CYS HA 1 39 PHE HB3 . . 4.400 4.239 4.239 4.239 . 0 0 "[ ]" 1
318 1 36 CYS HA 1 40 ASN H . . 3.900 3.657 3.657 3.657 . 0 0 "[ ]" 1
319 1 36 CYS HB2 1 37 ILE H . . 4.200 3.987 3.987 3.987 . 0 0 "[ ]" 1
320 1 36 CYS HB2 1 39 PHE HB2 . . 4.800 4.558 4.558 4.558 . 0 0 "[ ]" 1
321 1 36 CYS HB2 1 47 CYS HA . . 3.600 3.354 3.354 3.354 . 0 0 "[ ]" 1
322 1 36 CYS HB3 1 37 ILE H . . 3.900 3.726 3.726 3.726 . 0 0 "[ ]" 1
323 1 36 CYS HB3 1 47 CYS HA . . 4.400 4.145 4.145 4.145 . 0 0 "[ ]" 1
324 1 36 CYS HB3 1 50 PHE HB2 . . 4.300 4.140 4.140 4.140 . 0 0 "[ ]" 1
325 1 37 ILE H 1 37 ILE HA . . 3.000 2.809 2.809 2.809 . 0 0 "[ ]" 1
326 1 37 ILE H 1 37 ILE HB . . 2.600 2.442 2.442 2.442 . 0 0 "[ ]" 1
327 1 37 ILE H 1 37 ILE MG . . 4.700 3.790 3.790 3.790 . 0 0 "[ ]" 1
328 1 37 ILE H 1 38 LEU H . . 3.100 2.898 2.898 2.898 . 0 0 "[ ]" 1
329 1 37 ILE H 1 39 PHE H . . 4.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
330 1 37 ILE H 1 41 GLY HA3 . . 4.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
331 1 37 ILE HA 1 37 ILE MG . . 3.300 2.522 2.522 2.522 . 0 0 "[ ]" 1
332 1 37 ILE HA 1 38 LEU H . . 3.800 3.554 3.554 3.554 . 0 0 "[ ]" 1
333 1 37 ILE HA 1 40 ASN H . . 4.300 4.058 4.058 4.058 . 0 0 "[ ]" 1
334 1 37 ILE HA 1 41 GLY H . . 3.100 2.888 2.888 2.888 . 0 0 "[ ]" 1
335 1 37 ILE HA 1 41 GLY HA2 . . 4.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
336 1 37 ILE HA 1 41 GLY HA3 . . 2.300 2.058 2.058 2.058 . 0 0 "[ ]" 1
337 1 37 ILE HA 1 42 GLN H . . 2.300 2.079 2.079 2.079 . 0 0 "[ ]" 1
338 1 37 ILE HA 1 42 GLN HA . . 4.300 4.070 4.070 4.070 . 0 0 "[ ]" 1
339 1 37 ILE HB 1 38 LEU H . . 2.700 2.469 2.469 2.469 . 0 0 "[ ]" 1
340 1 37 ILE HB 1 42 GLN H . . 4.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
341 1 37 ILE MG 1 38 LEU H . . 4.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
342 1 37 ILE MG 1 42 GLN H . . 3.300 2.141 2.141 2.141 . 0 0 "[ ]" 1
343 1 37 ILE MG 1 42 GLN HA . . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
344 1 38 LEU H 1 38 LEU HG . . 4.700 4.477 4.477 4.477 . 0 0 "[ ]" 1
345 1 38 LEU H 1 39 PHE H . . 3.200 2.958 2.958 2.958 . 0 0 "[ ]" 1
346 1 38 LEU MD1 1 39 PHE H . . 4.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
347 1 38 LEU MD1 1 39 PHE HA . . 3.600 2.662 2.662 2.662 . 0 0 "[ ]" 1
348 1 39 PHE H 1 39 PHE HA . . 3.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
349 1 39 PHE H 1 39 PHE HB2 . . 2.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
350 1 39 PHE H 1 39 PHE HB3 . . 3.800 3.582 3.582 3.582 . 0 0 "[ ]" 1
351 1 39 PHE H 1 40 ASN H . . 3.200 3.054 3.054 3.054 . 0 0 "[ ]" 1
352 1 39 PHE H 1 41 GLY H . . 4.700 4.524 4.524 4.524 . 0 0 "[ ]" 1
353 1 39 PHE HA 1 39 PHE HB3 . . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
354 1 39 PHE HA 1 40 ASN H . . 3.800 3.638 3.638 3.638 . 0 0 "[ ]" 1
355 1 39 PHE HB2 1 40 ASN H . . 2.700 2.492 2.492 2.492 . 0 0 "[ ]" 1
356 1 39 PHE HB3 1 40 ASN H . . 3.200 3.012 3.012 3.012 . 0 0 "[ ]" 1
357 1 40 ASN H 1 41 GLY H . . 2.700 2.459 2.459 2.459 . 0 0 "[ ]" 1
358 1 40 ASN H 1 41 GLY HA2 . . 4.600 4.405 4.405 4.405 . 0 0 "[ ]" 1
359 1 40 ASN H 1 41 GLY HA3 . . 4.100 3.933 3.933 3.933 . 0 0 "[ ]" 1
360 1 40 ASN HA 1 41 GLY H . . 3.000 2.800 2.800 2.800 . 0 0 "[ ]" 1
361 1 40 ASN HA 1 41 GLY HA2 . . 4.800 4.552 4.552 4.552 . 0 0 "[ ]" 1
362 1 41 GLY H 1 41 GLY HA3 . . 2.700 2.445 2.445 2.445 . 0 0 "[ ]" 1
363 1 41 GLY H 1 42 GLN H . . 3.300 3.130 3.130 3.130 . 0 0 "[ ]" 1
364 1 41 GLY HA2 1 42 GLN H . . 3.600 3.397 3.397 3.397 . 0 0 "[ ]" 1
365 1 41 GLY HA2 1 43 ASP H . . 4.200 4.053 4.053 4.053 . 0 0 "[ ]" 1
366 1 41 GLY HA2 1 44 SER H . . 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
367 1 41 GLY HA2 1 44 SER HA . . 4.700 4.521 4.521 4.521 . 0 0 "[ ]" 1
368 1 41 GLY HA2 1 44 SER HB2 . . 4.200 4.000 4.000 4.000 . 0 0 "[ ]" 1
369 1 41 GLY HA2 1 44 SER HB3 . . 2.900 2.673 2.673 2.673 . 0 0 "[ ]" 1
370 1 41 GLY HA2 1 46 LYS H . . 4.700 4.476 4.476 4.476 . 0 0 "[ ]" 1
371 1 41 GLY HA2 1 46 LYS HB3 . . 4.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
372 1 41 GLY HA2 1 47 CYS H . . 4.300 4.107 4.107 4.107 . 0 0 "[ ]" 1
373 1 41 GLY HA2 1 47 CYS HB2 . . 3.500 3.272 3.272 3.272 . 0 0 "[ ]" 1
374 1 41 GLY HA3 1 42 GLN H . . 2.400 2.167 2.167 2.167 . 0 0 "[ ]" 1
375 1 41 GLY HA3 1 42 GLN HA . . 4.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
376 1 41 GLY HA3 1 43 ASP H . . 4.700 4.502 4.502 4.502 . 0 0 "[ ]" 1
377 1 41 GLY HA3 1 44 SER H . . 4.100 3.944 3.944 3.944 . 0 0 "[ ]" 1
378 1 41 GLY HA3 1 44 SER HB3 . . 4.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
379 1 41 GLY HA3 1 47 CYS HB2 . . 3.600 3.364 3.364 3.364 . 0 0 "[ ]" 1
380 1 41 GLY HA3 1 47 CYS HB3 . . 4.400 4.162 4.162 4.162 . 0 0 "[ ]" 1
381 1 42 GLN H 1 42 GLN HA . . 2.400 2.235 2.235 2.235 . 0 0 "[ ]" 1
382 1 42 GLN H 1 43 ASP H . . 4.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
383 1 42 GLN H 1 44 SER H . . 4.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
384 1 42 GLN HA 1 43 ASP H . . 3.700 3.528 3.528 3.528 . 0 0 "[ ]" 1
385 1 43 ASP H 1 44 SER H . . 2.200 2.029 2.029 2.029 . 0 0 "[ ]" 1
386 1 43 ASP H 1 44 SER HA . . 4.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
387 1 43 ASP H 1 44 SER HB3 . . 4.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
388 1 43 ASP HA 1 44 SER H . . 3.700 3.532 3.532 3.532 . 0 0 "[ ]" 1
389 1 44 SER H 1 44 SER HA . . 2.800 2.579 2.579 2.579 . 0 0 "[ ]" 1
390 1 44 SER H 1 44 SER HB2 . . 3.700 3.456 3.456 3.456 . 0 0 "[ ]" 1
391 1 44 SER H 1 44 SER HB3 . . 2.400 2.190 2.190 2.190 . 0 0 "[ ]" 1
392 1 44 SER H 1 45 GLU H . . 4.700 4.523 4.523 4.523 . 0 0 "[ ]" 1
393 1 44 SER H 1 47 CYS HB2 . . 4.400 4.203 4.203 4.203 . 0 0 "[ ]" 1
394 1 44 SER HA 1 44 SER HB2 . . 2.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
395 1 44 SER HA 1 44 SER HB3 . . 2.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
396 1 44 SER HA 1 45 GLU H . . 2.400 2.160 2.160 2.160 . 0 0 "[ ]" 1
397 1 44 SER HA 1 45 GLU HA . . 4.600 4.381 4.381 4.381 . 0 0 "[ ]" 1
398 1 44 SER HA 1 46 LYS H . . 4.100 3.933 3.933 3.933 . 0 0 "[ ]" 1
399 1 44 SER HB2 1 45 GLU H . . 2.900 2.677 2.677 2.677 . 0 0 "[ ]" 1
400 1 44 SER HB2 1 46 LYS H . . 3.100 2.939 2.939 2.939 . 0 0 "[ ]" 1
401 1 44 SER HB2 1 46 LYS HB2 . . 4.400 4.215 4.215 4.215 . 0 0 "[ ]" 1
402 1 44 SER HB3 1 45 GLU H . . 4.200 3.988 3.988 3.988 . 0 0 "[ ]" 1
403 1 44 SER HB3 1 46 LYS H . . 4.100 3.919 3.919 3.919 . 0 0 "[ ]" 1
404 1 45 GLU H 1 45 GLU HA . . 2.900 2.730 2.730 2.730 . 0 0 "[ ]" 1
405 1 45 GLU H 1 46 LYS H . . 3.200 2.986 2.986 2.986 . 0 0 "[ ]" 1
406 1 45 GLU H 1 47 CYS H . . 4.600 4.418 4.418 4.418 . 0 0 "[ ]" 1
407 1 45 GLU HA 1 46 LYS H . . 3.800 3.590 3.590 3.590 . 0 0 "[ ]" 1
408 1 45 GLU HA 1 47 CYS H . . 4.200 3.947 3.947 3.947 . 0 0 "[ ]" 1
409 1 45 GLU HA 1 48 LYS H . . 3.900 3.661 3.661 3.661 . 0 0 "[ ]" 1
410 1 45 GLU HA 1 48 LYS HG2 . . 2.900 2.675 2.675 2.675 . 0 0 "[ ]" 1
411 1 45 GLU HA 1 48 LYS HG3 . . 3.800 3.614 3.614 3.614 . 0 0 "[ ]" 1
412 1 46 LYS H 1 46 LYS HA . . 3.100 2.920 2.920 2.920 . 0 0 "[ ]" 1
413 1 46 LYS H 1 46 LYS HB2 . . 2.600 2.388 2.388 2.388 . 0 0 "[ ]" 1
414 1 46 LYS H 1 46 LYS HB3 . . 3.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
415 1 46 LYS H 1 47 CYS H . . 2.800 2.562 2.562 2.562 . 0 0 "[ ]" 1
416 1 46 LYS H 1 47 CYS HB2 . . 4.700 4.464 4.464 4.464 . 0 0 "[ ]" 1
417 1 46 LYS H 1 48 LYS H . . 4.500 4.271 4.271 4.271 . 0 0 "[ ]" 1
418 1 46 LYS HA 1 46 LYS HB2 . . 2.900 2.656 2.656 2.656 . 0 0 "[ ]" 1
419 1 46 LYS HA 1 47 CYS H . . 3.600 3.431 3.431 3.431 . 0 0 "[ ]" 1
420 1 46 LYS HA 1 48 LYS H . . 4.600 4.416 4.416 4.416 . 0 0 "[ ]" 1
421 1 46 LYS HA 1 48 LYS HG3 . . 4.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
422 1 46 LYS HB2 1 47 CYS H . . 4.400 4.190 4.190 4.190 . 0 0 "[ ]" 1
423 1 46 LYS HB3 1 47 CYS H . . 3.700 3.474 3.474 3.474 . 0 0 "[ ]" 1
424 1 46 LYS HB3 1 47 CYS HA . . 4.600 4.418 4.418 4.418 . 0 0 "[ ]" 1
425 1 47 CYS H 1 47 CYS HB2 . . 2.500 2.332 2.332 2.332 . 0 0 "[ ]" 1
426 1 47 CYS H 1 47 CYS HB3 . . 3.800 3.557 3.557 3.557 . 0 0 "[ ]" 1
427 1 47 CYS H 1 48 LYS H . . 2.400 2.213 2.213 2.213 . 0 0 "[ ]" 1
428 1 47 CYS H 1 48 LYS HG3 . . 4.100 3.882 3.882 3.882 . 0 0 "[ ]" 1
429 1 47 CYS H 1 49 GLU H . . 4.800 4.551 4.551 4.551 . 0 0 "[ ]" 1
430 1 47 CYS HA 1 47 CYS HB3 . . 2.800 2.628 2.628 2.628 . 0 0 "[ ]" 1
431 1 47 CYS HA 1 48 LYS H . . 3.700 3.502 3.502 3.502 . 0 0 "[ ]" 1
432 1 47 CYS HA 1 49 GLU H . . 4.300 4.135 4.135 4.135 . 0 0 "[ ]" 1
433 1 47 CYS HA 1 50 PHE H . . 3.600 3.374 3.374 3.374 . 0 0 "[ ]" 1
434 1 47 CYS HA 1 50 PHE HB2 . . 3.600 3.421 3.421 3.421 . 0 0 "[ ]" 1
435 1 47 CYS HA 1 51 ILE H . . 4.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
436 1 47 CYS HB2 1 48 LYS H . . 3.400 3.242 3.242 3.242 . 0 0 "[ ]" 1
437 1 47 CYS HB3 1 48 LYS H . . 3.900 3.675 3.675 3.675 . 0 0 "[ ]" 1
438 1 47 CYS HB3 1 48 LYS HA . . 4.400 4.223 4.223 4.223 . 0 0 "[ ]" 1
439 1 47 CYS HB3 1 50 PHE HB2 . . 4.200 3.994 3.994 3.994 . 0 0 "[ ]" 1
440 1 47 CYS HB3 1 51 ILE H . . 4.200 4.022 4.022 4.022 . 0 0 "[ ]" 1
441 1 48 LYS H 1 48 LYS HA . . 2.900 2.730 2.730 2.730 . 0 0 "[ ]" 1
442 1 48 LYS H 1 48 LYS HG2 . . 3.400 3.165 3.165 3.165 . 0 0 "[ ]" 1
443 1 48 LYS H 1 48 LYS HG3 . . 2.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
444 1 48 LYS H 1 49 GLU H . . 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 1
445 1 48 LYS HA 1 48 LYS HG2 . . 4.300 4.144 4.144 4.144 . 0 0 "[ ]" 1
446 1 48 LYS HA 1 48 LYS HG3 . . 3.700 3.507 3.507 3.507 . 0 0 "[ ]" 1
447 1 48 LYS HA 1 49 GLU H . . 3.900 3.649 3.649 3.649 . 0 0 "[ ]" 1
448 1 48 LYS HA 1 50 PHE H . . 4.500 4.350 4.350 4.350 . 0 0 "[ ]" 1
449 1 48 LYS HA 1 51 ILE H . . 3.400 3.195 3.195 3.195 . 0 0 "[ ]" 1
450 1 48 LYS HA 1 51 ILE HB . . 2.400 2.215 2.215 2.215 . 0 0 "[ ]" 1
451 1 48 LYS HA 1 52 GLU H . . 3.900 3.669 3.669 3.669 . 0 0 "[ ]" 1
452 1 48 LYS HA 1 52 GLU HG2 . . 4.100 3.862 3.862 3.862 . 0 0 "[ ]" 1
453 1 48 LYS HG2 1 49 GLU H . . 4.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
454 1 48 LYS HG3 1 49 GLU H . . 2.400 2.157 2.157 2.157 . 0 0 "[ ]" 1
455 1 48 LYS HG3 1 49 GLU HA . . 4.600 4.418 4.418 4.418 . 0 0 "[ ]" 1
456 1 48 LYS HG3 1 49 GLU HB3 . . 4.600 4.380 4.380 4.380 . 0 0 "[ ]" 1
457 1 49 GLU H 1 49 GLU HA . . 3.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
458 1 49 GLU H 1 49 GLU HB2 . . 3.800 3.575 3.575 3.575 . 0 0 "[ ]" 1
459 1 49 GLU H 1 49 GLU HB3 . . 3.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
460 1 49 GLU H 1 50 PHE H . . 3.100 2.909 2.909 2.909 . 0 0 "[ ]" 1
461 1 49 GLU H 1 51 ILE H . . 4.400 4.182 4.182 4.182 . 0 0 "[ ]" 1
462 1 49 GLU HA 1 49 GLU HB2 . . 2.800 2.557 2.557 2.557 . 0 0 "[ ]" 1
463 1 49 GLU HA 1 49 GLU HB3 . . 2.500 2.322 2.322 2.322 . 0 0 "[ ]" 1
464 1 49 GLU HA 1 50 PHE H . . 3.800 3.579 3.579 3.579 . 0 0 "[ ]" 1
465 1 49 GLU HA 1 52 GLU H . . 4.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
466 1 49 GLU HA 1 52 GLU HB2 . . 3.300 3.113 3.113 3.113 . 0 0 "[ ]" 1
467 1 49 GLU HA 1 52 GLU HG2 . . 4.300 4.079 4.079 4.079 . 0 0 "[ ]" 1
468 1 49 GLU HA 1 52 GLU HG3 . . 4.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
469 1 49 GLU HA 1 53 LYS H . . 4.200 4.040 4.040 4.040 . 0 0 "[ ]" 1
470 1 49 GLU HB2 1 50 PHE H . . 3.600 3.431 3.431 3.431 . 0 0 "[ ]" 1
471 1 49 GLU HB2 1 50 PHE HA . . 4.400 4.214 4.214 4.214 . 0 0 "[ ]" 1
472 1 49 GLU HB3 1 50 PHE H . . 4.300 4.088 4.088 4.088 . 0 0 "[ ]" 1
473 1 50 PHE H 1 50 PHE HA . . 3.100 2.906 2.906 2.906 . 0 0 "[ ]" 1
474 1 50 PHE H 1 50 PHE HB2 . . 2.700 2.519 2.519 2.519 . 0 0 "[ ]" 1
475 1 50 PHE H 1 50 PHE HB3 . . 3.800 3.620 3.620 3.620 . 0 0 "[ ]" 1
476 1 50 PHE H 1 51 ILE H . . 2.700 2.481 2.481 2.481 . 0 0 "[ ]" 1
477 1 50 PHE H 1 52 GLU H . . 4.400 4.171 4.171 4.171 . 0 0 "[ ]" 1
478 1 50 PHE HA 1 50 PHE HB3 . . 2.600 2.426 2.426 2.426 . 0 0 "[ ]" 1
479 1 50 PHE HA 1 51 ILE H . . 3.800 3.579 3.579 3.579 . 0 0 "[ ]" 1
480 1 50 PHE HA 1 52 GLU H . . 4.700 4.507 4.507 4.507 . 0 0 "[ ]" 1
481 1 50 PHE HA 1 53 LYS H . . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
482 1 50 PHE HA 1 54 TYR H . . 4.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
483 1 50 PHE HB2 1 51 ILE H . . 3.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
484 1 50 PHE HB2 1 51 ILE HA . . 4.600 4.378 4.378 4.378 . 0 0 "[ ]" 1
485 1 50 PHE HB3 1 51 ILE H . . 4.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
486 1 51 ILE H 1 51 ILE HA . . 3.100 2.874 2.874 2.874 . 0 0 "[ ]" 1
487 1 51 ILE H 1 51 ILE HB . . 2.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
488 1 51 ILE H 1 52 GLU H . . 3.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
489 1 51 ILE H 1 53 LYS H . . 4.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
490 1 51 ILE H 1 54 TYR H . . 4.800 4.559 4.559 4.559 . 0 0 "[ ]" 1
491 1 51 ILE HA 1 52 GLU H . . 3.800 3.616 3.616 3.616 . 0 0 "[ ]" 1
492 1 51 ILE HA 1 54 TYR H . . 3.600 3.377 3.377 3.377 . 0 0 "[ ]" 1
493 1 51 ILE HB 1 52 GLU H . . 2.900 2.681 2.681 2.681 . 0 0 "[ ]" 1
494 1 51 ILE HB 1 52 GLU HG2 . . 3.900 3.684 3.684 3.684 . 0 0 "[ ]" 1
495 1 52 GLU H 1 52 GLU HA . . 3.100 2.854 2.854 2.854 . 0 0 "[ ]" 1
496 1 52 GLU H 1 52 GLU HB2 . . 2.700 2.470 2.470 2.470 . 0 0 "[ ]" 1
497 1 52 GLU H 1 52 GLU HB3 . . 3.800 3.608 3.608 3.608 . 0 0 "[ ]" 1
498 1 52 GLU H 1 52 GLU HG2 . . 2.600 2.367 2.367 2.367 . 0 0 "[ ]" 1
499 1 52 GLU H 1 52 GLU HG3 . . 4.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
500 1 52 GLU H 1 53 LYS H . . 3.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
501 1 52 GLU H 1 54 TYR H . . 4.200 4.044 4.044 4.044 . 0 0 "[ ]" 1
502 1 52 GLU HA 1 52 GLU HB3 . . 2.700 2.493 2.493 2.493 . 0 0 "[ ]" 1
503 1 52 GLU HA 1 52 GLU HG2 . . 3.300 3.102 3.102 3.102 . 0 0 "[ ]" 1
504 1 52 GLU HA 1 52 GLU HG3 . . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
505 1 52 GLU HA 1 53 LYS H . . 3.800 3.623 3.623 3.623 . 0 0 "[ ]" 1
506 1 52 GLU HA 1 54 TYR H . . 4.400 4.232 4.232 4.232 . 0 0 "[ ]" 1
507 1 52 GLU HA 1 55 LYS H . . 3.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
508 1 52 GLU HA 1 56 GLU H . . 4.600 4.443 4.443 4.443 . 0 0 "[ ]" 1
509 1 52 GLU HB2 1 52 GLU HG2 . . 2.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
510 1 52 GLU HB2 1 52 GLU HG3 . . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
511 1 52 GLU HB2 1 53 LYS H . . 2.800 2.562 2.562 2.562 . 0 0 "[ ]" 1
512 1 52 GLU HB2 1 53 LYS HA . . 4.700 4.467 4.467 4.467 . 0 0 "[ ]" 1
513 1 52 GLU HB3 1 52 GLU HG3 . . 2.600 2.441 2.441 2.441 . 0 0 "[ ]" 1
514 1 52 GLU HB3 1 53 LYS H . . 3.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
515 1 52 GLU HB3 1 53 LYS HA . . 4.600 4.411 4.411 4.411 . 0 0 "[ ]" 1
516 1 52 GLU HG2 1 53 LYS H . . 4.700 4.470 4.470 4.470 . 0 0 "[ ]" 1
517 1 53 LYS H 1 53 LYS HA . . 3.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
518 1 53 LYS H 1 54 TYR H . . 3.100 2.863 2.863 2.863 . 0 0 "[ ]" 1
519 1 53 LYS H 1 55 LYS H . . 4.600 4.391 4.391 4.391 . 0 0 "[ ]" 1
520 1 53 LYS HA 1 54 TYR H . . 3.800 3.568 3.568 3.568 . 0 0 "[ ]" 1
521 1 53 LYS HA 1 55 LYS H . . 4.300 4.104 4.104 4.104 . 0 0 "[ ]" 1
522 1 53 LYS HA 1 56 GLU H . . 3.900 3.739 3.739 3.739 . 0 0 "[ ]" 1
523 1 53 LYS HA 1 57 CYS H . . 4.400 4.241 4.241 4.241 . 0 0 "[ ]" 1
524 1 54 TYR H 1 54 TYR HA . . 3.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
525 1 54 TYR H 1 55 LYS H . . 3.100 2.890 2.890 2.890 . 0 0 "[ ]" 1
526 1 54 TYR HA 1 54 TYR HD1 . . 2.600 2.358 2.358 2.358 . 0 0 "[ ]" 1
527 1 54 TYR HA 1 54 TYR HE1 . . 4.800 4.558 4.558 4.558 . 0 0 "[ ]" 1
528 1 54 TYR HA 1 55 LYS H . . 3.800 3.592 3.592 3.592 . 0 0 "[ ]" 1
529 1 55 LYS H 1 56 GLU H . . 2.800 2.579 2.579 2.579 . 0 0 "[ ]" 1
530 1 56 GLU H 1 56 GLU HA . . 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
531 1 56 GLU H 1 56 GLU HB2 . . 3.900 3.650 3.650 3.650 . 0 0 "[ ]" 1
532 1 56 GLU H 1 56 GLU HB3 . . 3.000 2.767 2.767 2.767 . 0 0 "[ ]" 1
533 1 56 GLU H 1 57 CYS H . . 3.300 3.085 3.085 3.085 . 0 0 "[ ]" 1
534 1 56 GLU H 1 58 MET H . . 4.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
535 1 56 GLU HA 1 56 GLU HB2 . . 2.700 2.533 2.533 2.533 . 0 0 "[ ]" 1
536 1 56 GLU HA 1 56 GLU HB3 . . 2.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
537 1 56 GLU HA 1 57 CYS H . . 3.800 3.580 3.580 3.580 . 0 0 "[ ]" 1
538 1 56 GLU HA 1 58 MET H . . 4.500 4.250 4.250 4.250 . 0 0 "[ ]" 1
539 1 56 GLU HA 1 59 LYS H . . 3.700 3.514 3.514 3.514 . 0 0 "[ ]" 1
540 1 56 GLU HA 1 59 LYS HG3 . . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
541 1 56 GLU HA 1 60 GLY H . . 4.000 3.763 3.763 3.763 . 0 0 "[ ]" 1
542 1 56 GLU HB2 1 57 CYS H . . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
543 1 56 GLU HB3 1 57 CYS H . . 4.200 3.974 3.974 3.974 . 0 0 "[ ]" 1
544 1 57 CYS H 1 57 CYS HA . . 2.800 2.578 2.578 2.578 . 0 0 "[ ]" 1
545 1 57 CYS H 1 58 MET H . . 3.700 3.464 3.464 3.464 . 0 0 "[ ]" 1
546 1 57 CYS HA 1 58 MET H . . 3.800 3.583 3.583 3.583 . 0 0 "[ ]" 1
547 1 57 CYS HA 1 60 GLY H . . 4.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
548 1 57 CYS HA 1 61 TYR H . . 4.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
549 1 58 MET H 1 59 LYS H . . 2.600 2.376 2.376 2.376 . 0 0 "[ ]" 1
550 1 58 MET H 1 60 GLY H . . 4.100 3.935 3.935 3.935 . 0 0 "[ ]" 1
551 1 58 MET H 1 61 TYR H . . 4.700 4.451 4.451 4.451 . 0 0 "[ ]" 1
552 1 59 LYS H 1 59 LYS HA . . 3.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
553 1 59 LYS H 1 59 LYS HG2 . . 4.200 4.050 4.050 4.050 . 0 0 "[ ]" 1
554 1 59 LYS H 1 59 LYS HG3 . . 4.600 4.434 4.434 4.434 . 0 0 "[ ]" 1
555 1 59 LYS H 1 60 GLY H . . 2.900 2.742 2.742 2.742 . 0 0 "[ ]" 1
556 1 59 LYS H 1 61 TYR H . . 4.400 4.173 4.173 4.173 . 0 0 "[ ]" 1
557 1 59 LYS HA 1 59 LYS HG2 . . 2.600 2.368 2.368 2.368 . 0 0 "[ ]" 1
558 1 59 LYS HA 1 59 LYS HG3 . . 3.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
559 1 59 LYS HA 1 60 GLY H . . 3.800 3.578 3.578 3.578 . 0 0 "[ ]" 1
560 1 59 LYS HA 1 62 GLY H . . 3.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
561 1 59 LYS HA 1 62 GLY HA2 . . 4.400 4.202 4.202 4.202 . 0 0 "[ ]" 1
562 1 59 LYS HA 1 63 PHE H . . 3.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
563 1 59 LYS HA 1 64 GLU HA . . 3.600 3.428 3.428 3.428 . 0 0 "[ ]" 1
564 1 59 LYS HG2 1 64 GLU HA . . 3.800 3.589 3.589 3.589 . 0 0 "[ ]" 1
565 1 60 GLY H 1 61 TYR H . . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
566 1 60 GLY H 1 62 GLY H . . 4.200 4.036 4.036 4.036 . 0 0 "[ ]" 1
567 1 61 TYR H 1 61 TYR HA . . 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 1
568 1 61 TYR H 1 61 TYR HB2 . . 2.600 2.389 2.389 2.389 . 0 0 "[ ]" 1
569 1 61 TYR H 1 61 TYR HB3 . . 2.800 2.568 2.568 2.568 . 0 0 "[ ]" 1
570 1 61 TYR H 1 62 GLY H . . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
571 1 61 TYR H 1 63 PHE H . . 4.500 4.289 4.289 4.289 . 0 0 "[ ]" 1
572 1 61 TYR HA 1 61 TYR HB2 . . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
573 1 61 TYR HA 1 62 GLY H . . 3.700 3.531 3.531 3.531 . 0 0 "[ ]" 1
574 1 61 TYR HB2 1 62 GLY H . . 4.100 3.909 3.909 3.909 . 0 0 "[ ]" 1
575 1 61 TYR HB3 1 62 GLY H . . 2.900 2.706 2.706 2.706 . 0 0 "[ ]" 1
576 1 61 TYR HB3 1 63 PHE H . . 3.500 3.246 3.246 3.246 . 0 0 "[ ]" 1
577 1 61 TYR HB3 1 63 PHE HB2 . . 4.300 4.107 4.107 4.107 . 0 0 "[ ]" 1
578 1 62 GLY H 1 62 GLY HA2 . . 2.600 2.426 2.426 2.426 . 0 0 "[ ]" 1
579 1 62 GLY H 1 63 PHE H . . 2.200 2.034 2.034 2.034 . 0 0 "[ ]" 1
580 1 62 GLY H 1 63 PHE HB2 . . 4.700 4.495 4.495 4.495 . 0 0 "[ ]" 1
581 1 62 GLY HA2 1 63 PHE H . . 3.300 3.111 3.111 3.111 . 0 0 "[ ]" 1
582 1 62 GLY HA2 1 63 PHE HA . . 4.700 4.529 4.529 4.529 . 0 0 "[ ]" 1
583 1 62 GLY HA3 1 63 PHE H . . 3.700 3.535 3.535 3.535 . 0 0 "[ ]" 1
584 1 63 PHE H 1 63 PHE HB2 . . 2.900 2.705 2.705 2.705 . 0 0 "[ ]" 1
585 1 63 PHE H 1 63 PHE HB3 . . 4.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
586 1 63 PHE H 1 63 PHE HD1 . . 4.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
587 1 63 PHE H 1 64 GLU H . . 4.300 4.126 4.126 4.126 . 0 0 "[ ]" 1
588 1 63 PHE HA 1 63 PHE HB3 . . 2.700 2.449 2.449 2.449 . 0 0 "[ ]" 1
589 1 63 PHE HA 1 63 PHE HD1 . . 2.400 2.219 2.219 2.219 . 0 0 "[ ]" 1
590 1 63 PHE HA 1 64 GLU H . . 2.400 2.154 2.154 2.154 . 0 0 "[ ]" 1
591 1 63 PHE HA 1 64 GLU HA . . 4.700 4.450 4.450 4.450 . 0 0 "[ ]" 1
592 1 63 PHE HA 1 64 GLU QB . . 4.700 4.083 4.083 4.083 . 0 0 "[ ]" 1
593 1 63 PHE HB2 1 64 GLU H . . 4.600 4.358 4.358 4.358 . 0 0 "[ ]" 1
594 1 63 PHE HB3 1 63 PHE HD1 . . 3.300 3.063 3.063 3.063 . 0 0 "[ ]" 1
595 1 63 PHE HB3 1 64 GLU H . . 3.800 3.629 3.629 3.629 . 0 0 "[ ]" 1
596 1 63 PHE HD1 1 64 GLU H . . 4.400 4.182 4.182 4.182 . 0 0 "[ ]" 1
597 1 64 GLU H 1 64 GLU HA . . 3.100 2.906 2.906 2.906 . 0 0 "[ ]" 1
598 1 64 GLU H 1 64 GLU QB . . 2.600 2.241 2.241 2.241 . 0 0 "[ ]" 1
599 1 64 GLU HA 1 65 VAL HA . . 4.600 4.392 4.392 4.392 . 0 0 "[ ]" 1
600 1 68 ALA HA 1 69 ASN HA . . 4.600 4.356 4.356 4.356 . 0 0 "[ ]" 1
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