NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382737 |
1jnt   |
5225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jnt
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 1005
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 4.309
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0474
_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 1 ALA 0.000 0.000 . 0 "[ ]"
1 2 LYS 0.026 0.024 1 0 "[ ]"
1 3 THR 0.024 0.024 1 0 "[ ]"
1 4 ALA 0.100 0.053 1 0 "[ ]"
1 5 ALA 0.000 0.000 . 0 "[ ]"
1 6 ALA 0.035 0.035 1 0 "[ ]"
1 7 LEU 0.028 0.028 1 0 "[ ]"
1 8 HIS 0.474 0.114 1 0 "[ ]"
1 9 ILE 0.078 0.042 1 0 "[ ]"
1 10 LEU 0.132 0.042 1 0 "[ ]"
1 11 VAL 0.103 0.042 1 0 "[ ]"
1 12 LYS 0.026 0.026 1 0 "[ ]"
1 13 GLU 0.007 0.007 1 0 "[ ]"
1 14 GLU 0.052 0.052 1 0 "[ ]"
1 15 LYS 0.043 0.043 1 0 "[ ]"
1 16 LEU 0.007 0.007 1 0 "[ ]"
1 17 ALA 0.016 0.016 1 0 "[ ]"
1 18 LEU 0.087 0.044 1 0 "[ ]"
1 19 ASP 0.043 0.043 1 0 "[ ]"
1 20 LEU 0.092 0.092 1 0 "[ ]"
1 21 LEU 0.229 0.092 1 0 "[ ]"
1 22 GLU 0.044 0.044 1 0 "[ ]"
1 23 GLN 0.000 0.000 . 0 "[ ]"
1 24 ILE 0.099 0.087 1 0 "[ ]"
1 25 LYS 0.028 0.028 1 0 "[ ]"
1 26 ASN 0.021 0.021 1 0 "[ ]"
1 27 GLY 0.021 0.021 1 0 "[ ]"
1 28 ALA 0.216 0.088 1 0 "[ ]"
1 29 ASP 0.088 0.088 1 0 "[ ]"
1 30 PHE 0.087 0.070 1 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 LYS 0.000 0.000 . 0 "[ ]"
1 33 LEU 0.000 0.000 . 0 "[ ]"
1 34 ALA 0.000 0.000 . 0 "[ ]"
1 35 LYS 0.000 0.000 . 0 "[ ]"
1 36 LYS 0.000 0.000 . 0 "[ ]"
1 37 HIS 0.153 0.153 1 0 "[ ]"
1 38 SER 0.042 0.026 1 0 "[ ]"
1 39 ILE 0.000 0.000 . 0 "[ ]"
1 40 CYS 0.026 0.026 1 0 "[ ]"
1 41 PRO 0.044 0.044 1 0 "[ ]"
1 42 SER 0.088 0.088 1 0 "[ ]"
1 43 GLY 0.036 0.019 1 0 "[ ]"
1 44 LYS 0.044 0.044 1 0 "[ ]"
1 45 ARG 0.190 0.088 1 0 "[ ]"
1 46 GLY 0.054 0.054 1 0 "[ ]"
1 47 GLY 0.229 0.101 1 0 "[ ]"
1 48 ASP 0.000 0.000 . 0 "[ ]"
1 49 LEU 0.239 0.158 1 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 GLU 0.034 0.034 1 0 "[ ]"
1 52 PHE 0.125 0.053 1 0 "[ ]"
1 53 ARG 0.007 0.007 1 0 "[ ]"
1 54 GLN 0.000 0.000 . 0 "[ ]"
1 55 GLY 0.125 0.059 1 0 "[ ]"
1 56 GLN 0.393 0.167 1 0 "[ ]"
1 57 MET 0.267 0.167 1 0 "[ ]"
1 58 VAL 0.283 0.144 1 0 "[ ]"
1 59 PRO 0.167 0.085 1 0 "[ ]"
1 60 ALA 0.175 0.144 1 0 "[ ]"
1 61 PHE 0.088 0.045 1 0 "[ ]"
1 62 ASP 0.108 0.063 1 0 "[ ]"
1 63 LYS 0.085 0.085 1 0 "[ ]"
1 64 VAL 0.179 0.071 1 0 "[ ]"
1 65 VAL 0.066 0.046 1 0 "[ ]"
1 66 PHE 0.083 0.063 1 0 "[ ]"
1 67 SER 0.057 0.057 1 0 "[ ]"
1 68 CYS 0.065 0.052 1 0 "[ ]"
1 69 PRO 0.022 0.022 1 0 "[ ]"
1 70 VAL 0.067 0.046 1 0 "[ ]"
1 71 LEU 0.032 0.032 1 0 "[ ]"
1 72 GLU 0.000 0.000 . 0 "[ ]"
1 73 PRO 0.007 0.007 1 0 "[ ]"
1 74 THR 0.000 0.000 . 0 "[ ]"
1 75 GLY 0.000 0.000 . 0 "[ ]"
1 76 PRO 0.034 0.034 1 0 "[ ]"
1 77 LEU 0.000 0.000 . 0 "[ ]"
1 78 HIS 0.017 0.017 1 0 "[ ]"
1 79 THR 0.067 0.031 1 0 "[ ]"
1 80 GLN 0.000 0.000 . 0 "[ ]"
1 81 PHE 0.021 0.018 1 0 "[ ]"
1 82 GLY 0.035 0.026 1 0 "[ ]"
1 83 TYR 0.000 0.000 . 0 "[ ]"
1 84 HIS 0.233 0.098 1 0 "[ ]"
1 85 ILE 0.165 0.089 1 0 "[ ]"
1 86 ILE 0.167 0.114 1 0 "[ ]"
1 87 LYS 0.051 0.028 1 0 "[ ]"
1 88 VAL 0.015 0.013 1 0 "[ ]"
1 89 LEU 0.303 0.271 1 0 "[ ]"
1 90 TYR 0.333 0.271 1 0 "[ ]"
1 91 ARG 0.200 0.090 1 0 "[ ]"
1 92 ASN 0.126 0.090 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 1 ALA MB 2.400 . 3.400 2.123 2.123 2.123 . 0 0 "[ ]" 1
2 1 1 ALA HA 1 2 LYS H 3.120 2.120 4.120 2.569 2.569 2.569 . 0 0 "[ ]" 1
3 1 1 ALA MB 1 2 LYS H 3.240 2.240 4.240 2.352 2.352 2.352 . 0 0 "[ ]" 1
4 1 1 ALA MB 1 91 ARG HD3 2.880 . 3.880 3.529 3.529 3.529 . 0 0 "[ ]" 1
5 1 1 ALA MB 1 92 ASN HA 2.640 . 3.640 2.816 2.816 2.816 . 0 0 "[ ]" 1
6 1 2 LYS H 1 2 LYS HA 4.080 2.856 5.304 2.853 2.853 2.853 0.003 1 0 "[ ]" 1
7 1 2 LYS HA 1 3 THR H 2.520 . 3.520 3.544 3.544 3.544 0.024 1 0 "[ ]" 1
8 1 2 LYS HG3 1 3 THR H 3.480 2.436 4.524 4.070 4.070 4.070 . 0 0 "[ ]" 1
9 1 3 THR H 1 3 THR HA 3.240 2.240 4.240 2.978 2.978 2.978 . 0 0 "[ ]" 1
10 1 3 THR H 1 3 THR HB 3.240 2.240 4.240 3.901 3.901 3.901 . 0 0 "[ ]" 1
11 1 3 THR H 1 3 THR MG 3.480 2.436 4.524 2.664 2.664 2.664 . 0 0 "[ ]" 1
12 1 3 THR H 1 92 ASN HA 3.840 2.688 4.992 2.901 2.901 2.901 . 0 0 "[ ]" 1
13 1 3 THR H 1 92 ASN HD22 4.080 2.856 5.304 5.111 5.111 5.111 . 0 0 "[ ]" 1
14 1 3 THR HA 1 3 THR HB 2.880 . 3.880 2.408 2.408 2.408 . 0 0 "[ ]" 1
15 1 3 THR HA 1 3 THR MG 2.520 . 3.520 2.455 2.455 2.455 . 0 0 "[ ]" 1
16 1 3 THR HA 1 4 ALA H 2.520 . 3.520 2.391 2.391 2.391 . 0 0 "[ ]" 1
17 1 3 THR HA 1 53 ARG HA 2.640 . 3.640 2.389 2.389 2.389 . 0 0 "[ ]" 1
18 1 3 THR HA 1 53 ARG HB3 3.480 2.436 4.524 3.778 3.778 3.778 . 0 0 "[ ]" 1
19 1 3 THR HA 1 54 GLN H 3.600 2.520 4.680 4.412 4.412 4.412 . 0 0 "[ ]" 1
20 1 3 THR HB 1 4 ALA H 3.240 2.240 4.240 2.888 2.888 2.888 . 0 0 "[ ]" 1
21 1 3 THR MG 1 4 ALA H 3.240 2.240 4.240 4.083 4.083 4.083 . 0 0 "[ ]" 1
22 1 3 THR MG 1 53 ARG HA 3.120 2.120 4.120 3.211 3.211 3.211 . 0 0 "[ ]" 1
23 1 4 ALA H 1 4 ALA HA 3.480 2.436 4.524 2.998 2.998 2.998 . 0 0 "[ ]" 1
24 1 4 ALA H 1 4 ALA MB 2.880 . 3.880 2.359 2.359 2.359 . 0 0 "[ ]" 1
25 1 4 ALA H 1 51 GLU HG2 3.960 2.772 5.148 3.803 3.803 3.803 . 0 0 "[ ]" 1
26 1 4 ALA H 1 51 GLU HG3 3.720 2.604 4.836 4.870 4.870 4.870 0.034 1 0 "[ ]" 1
27 1 4 ALA H 1 52 PHE HA 3.600 2.520 4.680 4.596 4.596 4.596 . 0 0 "[ ]" 1
28 1 4 ALA H 1 52 PHE QD 3.600 2.520 4.680 3.830 3.830 3.830 . 0 0 "[ ]" 1
29 1 4 ALA H 1 52 PHE QE 3.360 2.352 4.368 4.421 4.421 4.421 0.053 1 0 "[ ]" 1
30 1 4 ALA H 1 53 ARG HA 3.480 2.436 4.524 3.654 3.654 3.654 . 0 0 "[ ]" 1
31 1 4 ALA HA 1 5 ALA H 2.520 . 3.520 2.293 2.293 2.293 . 0 0 "[ ]" 1
32 1 4 ALA HA 1 91 ARG HA 2.520 . 3.520 1.768 1.768 1.768 0.012 1 0 "[ ]" 1
33 1 4 ALA HA 1 92 ASN H 3.480 2.436 4.524 3.257 3.257 3.257 . 0 0 "[ ]" 1
34 1 4 ALA MB 1 5 ALA H 3.000 . 4.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
35 1 4 ALA MB 1 52 PHE H 3.960 2.772 5.148 3.838 3.838 3.838 . 0 0 "[ ]" 1
36 1 4 ALA MB 1 91 ARG HA 3.000 . 4.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
37 1 4 ALA MB 1 92 ASN H 3.720 2.604 4.836 4.548 4.548 4.548 . 0 0 "[ ]" 1
38 1 5 ALA H 1 5 ALA HA 2.880 . 3.880 2.988 2.988 2.988 . 0 0 "[ ]" 1
39 1 5 ALA H 1 5 ALA MB 3.000 . 4.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
40 1 5 ALA H 1 51 GLU HG2 3.720 2.604 4.836 3.581 3.581 3.581 . 0 0 "[ ]" 1
41 1 5 ALA H 1 88 VAL HA 3.960 2.772 5.148 4.898 4.898 4.898 . 0 0 "[ ]" 1
42 1 5 ALA H 1 89 LEU H 3.960 2.772 5.148 3.112 3.112 3.112 . 0 0 "[ ]" 1
43 1 5 ALA H 1 89 LEU HB3 3.840 2.688 4.992 4.823 4.823 4.823 . 0 0 "[ ]" 1
44 1 5 ALA H 1 91 ARG HA 3.240 2.240 4.240 3.681 3.681 3.681 . 0 0 "[ ]" 1
45 1 5 ALA HA 1 5 ALA MB 2.400 . 3.400 2.154 2.154 2.154 . 0 0 "[ ]" 1
46 1 5 ALA HA 1 6 ALA H 2.520 . 3.520 2.219 2.219 2.219 . 0 0 "[ ]" 1
47 1 5 ALA HA 1 52 PHE H 3.360 2.352 4.368 3.889 3.889 3.889 . 0 0 "[ ]" 1
48 1 5 ALA MB 1 6 ALA H 3.480 2.436 4.524 3.332 3.332 3.332 . 0 0 "[ ]" 1
49 1 5 ALA MB 1 50 GLY H 3.960 2.772 5.148 4.975 4.975 4.975 . 0 0 "[ ]" 1
50 1 5 ALA MB 1 51 GLU H 3.720 2.604 4.836 4.473 4.473 4.473 . 0 0 "[ ]" 1
51 1 5 ALA MB 1 51 GLU HA 3.000 . 4.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
52 1 5 ALA MB 1 51 GLU HG3 2.880 . 3.880 1.906 1.906 1.906 . 0 0 "[ ]" 1
53 1 5 ALA MB 1 89 LEU HB2 2.640 . 3.640 1.869 1.869 1.869 . 0 0 "[ ]" 1
54 1 5 ALA MB 1 89 LEU HB3 3.120 2.120 4.120 3.055 3.055 3.055 . 0 0 "[ ]" 1
55 1 5 ALA MB 1 89 LEU HG 2.880 . 3.880 3.833 3.833 3.833 . 0 0 "[ ]" 1
56 1 5 ALA MB 1 90 TYR H 3.480 2.436 4.524 3.136 3.136 3.136 . 0 0 "[ ]" 1
57 1 6 ALA H 1 6 ALA HA 3.360 2.352 4.368 3.002 3.002 3.002 . 0 0 "[ ]" 1
58 1 6 ALA H 1 6 ALA MB 2.880 . 3.880 2.419 2.419 2.419 . 0 0 "[ ]" 1
59 1 6 ALA H 1 7 LEU H 3.840 2.688 4.992 4.432 4.432 4.432 . 0 0 "[ ]" 1
60 1 6 ALA H 1 49 LEU MD1 4.080 2.856 5.304 4.594 4.594 4.594 . 0 0 "[ ]" 1
61 1 6 ALA H 1 50 GLY H 3.840 2.688 4.992 3.978 3.978 3.978 . 0 0 "[ ]" 1
62 1 6 ALA H 1 51 GLU HA 3.600 2.520 4.680 3.683 3.683 3.683 . 0 0 "[ ]" 1
63 1 6 ALA H 1 51 GLU HG3 3.720 2.604 4.836 4.549 4.549 4.549 . 0 0 "[ ]" 1
64 1 6 ALA H 1 89 LEU H 3.960 2.772 5.148 4.976 4.976 4.976 . 0 0 "[ ]" 1
65 1 6 ALA HA 1 7 LEU H 2.400 . 3.400 2.177 2.177 2.177 . 0 0 "[ ]" 1
66 1 6 ALA HA 1 88 VAL HA 2.880 . 3.880 2.987 2.987 2.987 . 0 0 "[ ]" 1
67 1 6 ALA HA 1 89 LEU H 3.120 2.120 4.120 3.520 3.520 3.520 . 0 0 "[ ]" 1
68 1 6 ALA HA 1 89 LEU HG 3.240 2.240 4.240 3.586 3.586 3.586 . 0 0 "[ ]" 1
69 1 6 ALA MB 1 7 LEU H 2.880 . 3.880 3.065 3.065 3.065 . 0 0 "[ ]" 1
70 1 6 ALA MB 1 49 LEU MD1 2.640 . 3.640 3.035 3.035 3.035 . 0 0 "[ ]" 1
71 1 6 ALA MB 1 52 PHE QD 2.760 . 3.760 3.795 3.795 3.795 0.035 1 0 "[ ]" 1
72 1 6 ALA MB 1 86 ILE MG 2.400 . 3.400 2.373 2.373 2.373 . 0 0 "[ ]" 1
73 1 6 ALA MB 1 88 VAL HA 2.760 . 3.760 3.437 3.437 3.437 . 0 0 "[ ]" 1
74 1 7 LEU H 1 7 LEU HA 3.600 2.520 4.680 3.001 3.001 3.001 . 0 0 "[ ]" 1
75 1 7 LEU H 1 7 LEU HB2 3.360 2.352 4.368 2.474 2.474 2.474 . 0 0 "[ ]" 1
76 1 7 LEU H 1 7 LEU HB3 3.480 2.436 4.524 3.669 3.669 3.669 . 0 0 "[ ]" 1
77 1 7 LEU H 1 7 LEU MD2 2.520 . 3.520 3.479 3.479 3.479 . 0 0 "[ ]" 1
78 1 7 LEU H 1 7 LEU HG 3.120 2.120 4.120 2.492 2.492 2.492 . 0 0 "[ ]" 1
79 1 7 LEU H 1 8 HIS H 3.960 2.772 5.148 4.514 4.514 4.514 . 0 0 "[ ]" 1
80 1 7 LEU H 1 87 LYS HG2 3.720 2.604 4.836 3.839 3.839 3.839 . 0 0 "[ ]" 1
81 1 7 LEU H 1 88 VAL HA 3.720 2.604 4.836 4.343 4.343 4.343 . 0 0 "[ ]" 1
82 1 7 LEU HA 1 7 LEU HB2 3.000 . 4.000 3.043 3.043 3.043 . 0 0 "[ ]" 1
83 1 7 LEU HA 1 7 LEU HB3 2.880 . 3.880 2.469 2.469 2.469 . 0 0 "[ ]" 1
84 1 7 LEU HA 1 7 LEU MD2 2.880 . 3.880 1.923 1.923 1.923 . 0 0 "[ ]" 1
85 1 7 LEU HA 1 8 HIS H 2.880 . 3.880 2.300 2.300 2.300 . 0 0 "[ ]" 1
86 1 7 LEU HA 1 48 ASP HA 3.000 . 4.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
87 1 7 LEU HA 1 49 LEU H 3.360 2.352 4.368 3.470 3.470 3.470 . 0 0 "[ ]" 1
88 1 7 LEU HB2 1 8 HIS H 3.720 2.604 4.836 4.107 4.107 4.107 . 0 0 "[ ]" 1
89 1 7 LEU HB2 1 87 LYS HG2 3.000 . 4.000 4.028 4.028 4.028 0.028 1 0 "[ ]" 1
90 1 7 LEU HB3 1 7 LEU MD1 3.000 . 4.000 2.369 2.369 2.369 . 0 0 "[ ]" 1
91 1 7 LEU HB3 1 87 LYS H 3.360 2.352 4.368 4.362 4.362 4.362 . 0 0 "[ ]" 1
92 1 7 LEU MD2 1 48 ASP HA 2.520 . 3.520 2.086 2.086 2.086 . 0 0 "[ ]" 1
93 1 7 LEU MD2 1 48 ASP HB2 2.760 . 3.760 3.108 3.108 3.108 . 0 0 "[ ]" 1
94 1 8 HIS H 1 8 HIS HA 3.480 2.436 4.524 3.006 3.006 3.006 . 0 0 "[ ]" 1
95 1 8 HIS H 1 8 HIS HB2 3.840 2.688 4.992 2.575 2.575 2.575 0.113 1 0 "[ ]" 1
96 1 8 HIS H 1 8 HIS HD2 3.240 2.240 4.240 2.992 2.992 2.992 . 0 0 "[ ]" 1
97 1 8 HIS H 1 9 ILE H 3.960 2.772 5.148 4.386 4.386 4.386 . 0 0 "[ ]" 1
98 1 8 HIS H 1 9 ILE HG12 3.960 2.772 5.148 5.167 5.167 5.167 0.019 1 0 "[ ]" 1
99 1 8 HIS H 1 47 GLY HA2 4.080 2.856 5.304 2.783 2.783 2.783 0.073 1 0 "[ ]" 1
100 1 8 HIS H 1 47 GLY QA 3.480 2.436 4.524 2.757 2.757 2.757 . 0 0 "[ ]" 1
101 1 8 HIS H 1 47 GLY HA3 3.360 2.352 4.368 4.469 4.469 4.469 0.101 1 0 "[ ]" 1
102 1 8 HIS HA 1 8 HIS HB2 3.000 . 4.000 3.035 3.035 3.035 . 0 0 "[ ]" 1
103 1 8 HIS HA 1 8 HIS HB3 3.000 . 4.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
104 1 8 HIS HA 1 8 HIS HD2 3.000 . 4.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
105 1 8 HIS HA 1 9 ILE H 2.880 . 3.880 2.175 2.175 2.175 . 0 0 "[ ]" 1
106 1 8 HIS HA 1 9 ILE HG13 3.600 2.520 4.680 3.845 3.845 3.845 . 0 0 "[ ]" 1
107 1 8 HIS HA 1 86 ILE HA 3.120 2.120 4.120 2.563 2.563 2.563 . 0 0 "[ ]" 1
108 1 8 HIS HA 1 86 ILE MG 3.720 2.604 4.836 3.783 3.783 3.783 . 0 0 "[ ]" 1
109 1 8 HIS HA 1 87 LYS H 3.720 2.604 4.836 3.778 3.778 3.778 . 0 0 "[ ]" 1
110 1 8 HIS HB2 1 9 ILE H 3.600 2.520 4.680 4.240 4.240 4.240 . 0 0 "[ ]" 1
111 1 8 HIS HB3 1 9 ILE H 3.360 2.352 4.368 3.256 3.256 3.256 . 0 0 "[ ]" 1
112 1 8 HIS HB3 1 86 ILE HA 3.480 2.436 4.524 4.577 4.577 4.577 0.053 1 0 "[ ]" 1
113 1 8 HIS HB3 1 86 ILE HG13 3.480 2.436 4.524 4.638 4.638 4.638 0.114 1 0 "[ ]" 1
114 1 8 HIS HD2 1 86 ILE MG 3.600 2.520 4.680 3.525 3.525 3.525 . 0 0 "[ ]" 1
115 1 9 ILE H 1 9 ILE HA 3.600 2.520 4.680 2.993 2.993 2.993 . 0 0 "[ ]" 1
116 1 9 ILE H 1 9 ILE HB 3.360 2.352 4.368 2.613 2.613 2.613 . 0 0 "[ ]" 1
117 1 9 ILE H 1 9 ILE MD 3.360 2.352 4.368 3.970 3.970 3.970 . 0 0 "[ ]" 1
118 1 9 ILE H 1 9 ILE HG12 3.960 2.772 5.148 3.994 3.994 3.994 . 0 0 "[ ]" 1
119 1 9 ILE H 1 9 ILE HG13 3.720 2.604 4.836 2.842 2.842 2.842 . 0 0 "[ ]" 1
120 1 9 ILE H 1 9 ILE MG 3.840 2.688 4.992 3.844 3.844 3.844 . 0 0 "[ ]" 1
121 1 9 ILE H 1 84 HIS HA 3.960 2.772 5.148 4.507 4.507 4.507 . 0 0 "[ ]" 1
122 1 9 ILE H 1 85 ILE HB 3.720 2.604 4.836 4.584 4.584 4.584 . 0 0 "[ ]" 1
123 1 9 ILE HA 1 9 ILE MD 3.000 . 4.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
124 1 9 ILE HA 1 9 ILE HG13 3.240 2.240 4.240 3.010 3.010 3.010 . 0 0 "[ ]" 1
125 1 9 ILE HA 1 9 ILE MG 3.000 . 4.000 2.426 2.426 2.426 . 0 0 "[ ]" 1
126 1 9 ILE HA 1 10 LEU H 2.880 . 3.880 2.211 2.211 2.211 . 0 0 "[ ]" 1
127 1 9 ILE HB 1 10 LEU H 3.600 2.520 4.680 4.279 4.279 4.279 . 0 0 "[ ]" 1
128 1 9 ILE MD 1 9 ILE MG 2.520 . 3.520 1.875 1.875 1.875 . 0 0 "[ ]" 1
129 1 9 ILE MD 1 11 VAL MG2 3.360 2.352 4.368 4.385 4.385 4.385 0.017 1 0 "[ ]" 1
130 1 9 ILE MD 1 24 ILE MD 2.520 . 3.520 3.500 3.500 3.500 . 0 0 "[ ]" 1
131 1 9 ILE MD 1 33 LEU HB2 3.240 2.240 4.240 2.859 2.859 2.859 . 0 0 "[ ]" 1
132 1 9 ILE MD 1 33 LEU HB3 3.480 2.436 4.524 2.964 2.964 2.964 . 0 0 "[ ]" 1
133 1 9 ILE MD 1 34 ALA H 3.360 2.352 4.368 2.756 2.756 2.756 . 0 0 "[ ]" 1
134 1 9 ILE MD 1 34 ALA HA 3.240 2.240 4.240 2.772 2.772 2.772 . 0 0 "[ ]" 1
135 1 9 ILE MD 1 34 ALA MB 3.000 . 4.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
136 1 9 ILE MD 1 35 LYS H 3.960 2.772 5.148 4.864 4.864 4.864 . 0 0 "[ ]" 1
137 1 9 ILE MD 1 85 ILE MD 3.000 . 4.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
138 1 9 ILE MD 1 85 ILE MG 3.360 2.352 4.368 2.369 2.369 2.369 . 0 0 "[ ]" 1
139 1 9 ILE HG12 1 10 LEU H 3.960 2.772 5.148 4.557 4.557 4.557 . 0 0 "[ ]" 1
140 1 9 ILE HG13 1 9 ILE MG 3.120 2.120 4.120 3.197 3.197 3.197 . 0 0 "[ ]" 1
141 1 9 ILE HG13 1 34 ALA H 3.720 2.604 4.836 4.721 4.721 4.721 . 0 0 "[ ]" 1
142 1 9 ILE MG 1 10 LEU H 3.120 2.120 4.120 2.807 2.807 2.807 . 0 0 "[ ]" 1
143 1 9 ILE MG 1 11 VAL H 3.000 . 4.000 4.042 4.042 4.042 0.042 1 0 "[ ]" 1
144 1 9 ILE MG 1 37 HIS H 3.960 2.772 5.148 4.627 4.627 4.627 . 0 0 "[ ]" 1
145 1 9 ILE MG 1 38 SER H 3.240 2.240 4.240 4.092 4.092 4.092 . 0 0 "[ ]" 1
146 1 9 ILE MG 1 38 SER HA 3.000 . 4.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
147 1 10 LEU H 1 10 LEU HA 3.840 2.688 4.992 2.983 2.983 2.983 . 0 0 "[ ]" 1
148 1 10 LEU H 1 10 LEU HB2 3.240 2.240 4.240 2.523 2.523 2.523 . 0 0 "[ ]" 1
149 1 10 LEU H 1 10 LEU MD2 4.080 2.856 5.304 4.036 4.036 4.036 . 0 0 "[ ]" 1
150 1 10 LEU H 1 38 SER HA 3.720 2.604 4.836 4.267 4.267 4.267 . 0 0 "[ ]" 1
151 1 10 LEU H 1 38 SER HB2 3.600 2.520 4.680 4.696 4.696 4.696 0.016 1 0 "[ ]" 1
152 1 10 LEU H 1 84 HIS HD2 3.600 2.520 4.680 4.708 4.708 4.708 0.028 1 0 "[ ]" 1
153 1 10 LEU H 1 85 ILE H 3.960 2.772 5.148 5.190 5.190 5.190 0.042 1 0 "[ ]" 1
154 1 10 LEU HA 1 10 LEU HB2 3.120 2.120 4.120 2.602 2.602 2.602 . 0 0 "[ ]" 1
155 1 10 LEU HA 1 10 LEU HB3 3.240 2.240 4.240 3.023 3.023 3.023 . 0 0 "[ ]" 1
156 1 10 LEU HA 1 10 LEU MD1 3.000 . 4.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
157 1 10 LEU HA 1 10 LEU MD2 2.760 . 3.760 2.196 2.196 2.196 . 0 0 "[ ]" 1
158 1 10 LEU HA 1 10 LEU HG 2.760 . 3.760 2.559 2.559 2.559 . 0 0 "[ ]" 1
159 1 10 LEU HA 1 11 VAL H 2.640 . 3.640 2.205 2.205 2.205 . 0 0 "[ ]" 1
160 1 10 LEU HA 1 84 HIS HA 3.120 2.120 4.120 2.774 2.774 2.774 . 0 0 "[ ]" 1
161 1 10 LEU HB2 1 11 VAL H 3.960 2.772 5.148 4.525 4.525 4.525 . 0 0 "[ ]" 1
162 1 10 LEU HB3 1 10 LEU HG 3.120 2.120 4.120 3.026 3.026 3.026 . 0 0 "[ ]" 1
163 1 10 LEU MD1 1 81 PHE HB3 3.240 2.240 4.240 2.262 2.262 2.262 . 0 0 "[ ]" 1
164 1 10 LEU MD2 1 10 LEU HG 2.400 . 3.400 2.146 2.146 2.146 . 0 0 "[ ]" 1
165 1 10 LEU MD2 1 11 VAL H 2.760 . 3.760 1.960 1.960 1.960 . 0 0 "[ ]" 1
166 1 10 LEU MD2 1 81 PHE HB3 3.120 2.120 4.120 3.087 3.087 3.087 . 0 0 "[ ]" 1
167 1 10 LEU MD2 1 82 GLY H 3.600 2.520 4.680 4.033 4.033 4.033 . 0 0 "[ ]" 1
168 1 10 LEU MD2 1 82 GLY HA2 3.120 2.120 4.120 4.129 4.129 4.129 0.009 1 0 "[ ]" 1
169 1 10 LEU MD2 1 82 GLY HA3 3.000 . 4.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
170 1 10 LEU MD2 1 83 TYR H 3.240 2.240 4.240 2.479 2.479 2.479 . 0 0 "[ ]" 1
171 1 10 LEU MD2 1 85 ILE H 3.960 2.772 5.148 5.165 5.165 5.165 0.017 1 0 "[ ]" 1
172 1 10 LEU HG 1 11 VAL H 3.840 2.688 4.992 3.962 3.962 3.962 . 0 0 "[ ]" 1
173 1 10 LEU HG 1 79 THR MG 3.000 . 4.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
174 1 10 LEU HG 1 81 PHE HB2 2.880 . 3.880 3.883 3.883 3.883 0.003 1 0 "[ ]" 1
175 1 10 LEU HG 1 81 PHE HB3 3.000 . 4.000 4.018 4.018 4.018 0.018 1 0 "[ ]" 1
176 1 10 LEU HG 1 83 TYR H 3.960 2.772 5.148 4.555 4.555 4.555 . 0 0 "[ ]" 1
177 1 11 VAL H 1 11 VAL HA 2.760 . 3.760 2.986 2.986 2.986 . 0 0 "[ ]" 1
178 1 11 VAL H 1 11 VAL HB 3.960 2.772 5.148 2.745 2.745 2.745 0.027 1 0 "[ ]" 1
179 1 11 VAL H 1 11 VAL MG1 3.840 2.688 4.992 3.783 3.783 3.783 . 0 0 "[ ]" 1
180 1 11 VAL H 1 11 VAL MG2 2.640 . 3.640 2.060 2.060 2.060 . 0 0 "[ ]" 1
181 1 11 VAL H 1 83 TYR HA 4.080 2.856 5.304 4.849 4.849 4.849 . 0 0 "[ ]" 1
182 1 11 VAL H 1 84 HIS HA 3.840 2.688 4.992 3.704 3.704 3.704 . 0 0 "[ ]" 1
183 1 11 VAL HA 1 11 VAL HB 2.640 . 3.640 3.010 3.010 3.010 . 0 0 "[ ]" 1
184 1 11 VAL HA 1 11 VAL MG1 2.640 . 3.640 2.042 2.042 2.042 . 0 0 "[ ]" 1
185 1 11 VAL HA 1 11 VAL MG2 3.120 2.120 4.120 2.562 2.562 2.562 . 0 0 "[ ]" 1
186 1 11 VAL HA 1 12 LYS H 2.760 . 3.760 2.221 2.221 2.221 . 0 0 "[ ]" 1
187 1 11 VAL HB 1 11 VAL MG1 2.400 . 3.400 2.120 2.120 2.120 . 0 0 "[ ]" 1
188 1 11 VAL HB 1 11 VAL MG2 2.400 . 3.400 2.137 2.137 2.137 . 0 0 "[ ]" 1
189 1 11 VAL HB 1 12 LYS H 3.000 . 4.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
190 1 11 VAL HB 1 13 GLU H 3.240 2.240 4.240 3.847 3.847 3.847 . 0 0 "[ ]" 1
191 1 11 VAL HB 1 83 TYR H 3.840 2.688 4.992 3.262 3.262 3.262 . 0 0 "[ ]" 1
192 1 11 VAL MG1 1 12 LYS H 3.840 2.688 4.992 2.800 2.800 2.800 . 0 0 "[ ]" 1
193 1 11 VAL MG1 1 13 GLU H 3.120 2.120 4.120 2.622 2.622 2.622 . 0 0 "[ ]" 1
194 1 11 VAL MG1 1 14 GLU H 3.960 2.772 5.148 4.931 4.931 4.931 . 0 0 "[ ]" 1
195 1 11 VAL MG1 1 16 LEU HG 2.880 . 3.880 3.718 3.718 3.718 . 0 0 "[ ]" 1
196 1 11 VAL MG1 1 17 ALA H 3.000 . 4.000 2.239 2.239 2.239 . 0 0 "[ ]" 1
197 1 11 VAL MG2 1 17 ALA H 3.000 . 4.000 4.016 4.016 4.016 0.016 1 0 "[ ]" 1
198 1 11 VAL MG2 1 17 ALA HA 2.520 . 3.520 2.576 2.576 2.576 . 0 0 "[ ]" 1
199 1 11 VAL MG2 1 83 TYR HB2 3.120 2.120 4.120 2.823 2.823 2.823 . 0 0 "[ ]" 1
200 1 11 VAL MG2 1 83 TYR HB3 3.000 . 4.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
201 1 12 LYS H 1 12 LYS HA 3.360 2.352 4.368 2.858 2.858 2.858 . 0 0 "[ ]" 1
202 1 12 LYS H 1 13 GLU H 3.240 2.240 4.240 2.722 2.722 2.722 . 0 0 "[ ]" 1
203 1 12 LYS HA 1 82 GLY HA2 3.240 2.240 4.240 4.266 4.266 4.266 0.026 1 0 "[ ]" 1
204 1 12 LYS HA 1 83 TYR H 3.840 2.688 4.992 4.376 4.376 4.376 . 0 0 "[ ]" 1
205 1 13 GLU H 1 13 GLU HB3 3.240 2.240 4.240 3.159 3.159 3.159 . 0 0 "[ ]" 1
206 1 13 GLU HA 1 13 GLU HB2 2.520 . 3.520 2.499 2.499 2.499 . 0 0 "[ ]" 1
207 1 13 GLU HA 1 13 GLU HG3 3.120 2.120 4.120 3.724 3.724 3.724 . 0 0 "[ ]" 1
208 1 13 GLU HA 1 14 GLU H 2.400 . 3.400 2.345 2.345 2.345 . 0 0 "[ ]" 1
209 1 13 GLU HA 1 15 LYS H 3.960 2.772 5.148 4.384 4.384 4.384 . 0 0 "[ ]" 1
210 1 13 GLU HA 1 16 LEU H 3.840 2.688 4.992 4.999 4.999 4.999 0.007 1 0 "[ ]" 1
211 1 13 GLU HB2 1 15 LYS H 3.360 2.352 4.368 3.061 3.061 3.061 . 0 0 "[ ]" 1
212 1 13 GLU HB2 1 16 LEU H 3.000 . 4.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
213 1 13 GLU HB3 1 15 LYS H 3.960 2.772 5.148 4.711 4.711 4.711 . 0 0 "[ ]" 1
214 1 13 GLU HG2 1 16 LEU H 3.960 2.772 5.148 3.308 3.308 3.308 . 0 0 "[ ]" 1
215 1 13 GLU HG3 1 14 GLU H 3.720 2.604 4.836 3.937 3.937 3.937 . 0 0 "[ ]" 1
216 1 14 GLU H 1 14 GLU HB2 2.760 . 3.760 2.365 2.365 2.365 . 0 0 "[ ]" 1
217 1 14 GLU H 1 14 GLU HB3 2.880 . 3.880 2.477 2.477 2.477 . 0 0 "[ ]" 1
218 1 14 GLU H 1 14 GLU HG2 3.360 2.352 4.368 4.420 4.420 4.420 0.052 1 0 "[ ]" 1
219 1 14 GLU H 1 15 LYS H 3.240 2.240 4.240 2.793 2.793 2.793 . 0 0 "[ ]" 1
220 1 14 GLU HA 1 14 GLU HB2 2.640 . 3.640 2.482 2.482 2.482 . 0 0 "[ ]" 1
221 1 14 GLU HA 1 14 GLU HG2 3.000 . 4.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
222 1 14 GLU HA 1 14 GLU HG3 3.000 . 4.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
223 1 14 GLU HA 1 17 ALA H 3.720 2.604 4.836 3.182 3.182 3.182 . 0 0 "[ ]" 1
224 1 14 GLU HA 1 17 ALA MB 2.760 . 3.760 2.165 2.165 2.165 . 0 0 "[ ]" 1
225 1 14 GLU HA 1 83 TYR QD 3.360 2.352 4.368 3.509 3.509 3.509 . 0 0 "[ ]" 1
226 1 14 GLU HB3 1 14 GLU HG3 2.760 . 3.760 3.034 3.034 3.034 . 0 0 "[ ]" 1
227 1 14 GLU HB3 1 15 LYS H 3.000 . 4.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
228 1 15 LYS H 1 15 LYS HA 3.000 . 4.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
229 1 15 LYS H 1 15 LYS HB2 2.760 . 3.760 2.411 2.411 2.411 . 0 0 "[ ]" 1
230 1 15 LYS H 1 16 LEU H 3.240 2.240 4.240 2.920 2.920 2.920 . 0 0 "[ ]" 1
231 1 15 LYS H 1 17 ALA H 3.960 2.772 5.148 4.123 4.123 4.123 . 0 0 "[ ]" 1
232 1 15 LYS HA 1 15 LYS HB2 2.760 . 3.760 3.034 3.034 3.034 . 0 0 "[ ]" 1
233 1 15 LYS HA 1 15 LYS HG2 2.760 . 3.760 2.443 2.443 2.443 . 0 0 "[ ]" 1
234 1 15 LYS HA 1 16 LEU H 3.480 2.436 4.524 3.579 3.579 3.579 . 0 0 "[ ]" 1
235 1 15 LYS HA 1 17 ALA H 3.840 2.688 4.992 4.511 4.511 4.511 . 0 0 "[ ]" 1
236 1 15 LYS HA 1 18 LEU H 3.120 2.120 4.120 3.426 3.426 3.426 . 0 0 "[ ]" 1
237 1 15 LYS HA 1 18 LEU HB2 3.000 . 4.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
238 1 15 LYS HA 1 18 LEU HB3 2.760 . 3.760 3.593 3.593 3.593 . 0 0 "[ ]" 1
239 1 15 LYS HA 1 19 ASP H 3.240 2.240 4.240 4.283 4.283 4.283 0.043 1 0 "[ ]" 1
240 1 15 LYS HB3 1 16 LEU H 2.880 . 3.880 3.479 3.479 3.479 . 0 0 "[ ]" 1
241 1 16 LEU H 1 16 LEU HA 3.000 . 4.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
242 1 16 LEU H 1 16 LEU HB2 3.120 2.120 4.120 2.222 2.222 2.222 . 0 0 "[ ]" 1
243 1 16 LEU H 1 16 LEU HB3 2.760 . 3.760 2.705 2.705 2.705 . 0 0 "[ ]" 1
244 1 16 LEU H 1 17 ALA H 2.880 . 3.880 2.554 2.554 2.554 . 0 0 "[ ]" 1
245 1 16 LEU H 1 18 LEU H 3.840 2.688 4.992 3.994 3.994 3.994 . 0 0 "[ ]" 1
246 1 16 LEU HA 1 16 LEU HB2 2.520 . 3.520 2.624 2.624 2.624 . 0 0 "[ ]" 1
247 1 16 LEU HA 1 16 LEU HB3 2.880 . 3.880 3.015 3.015 3.015 . 0 0 "[ ]" 1
248 1 16 LEU HA 1 16 LEU MD1 3.120 2.120 4.120 3.385 3.385 3.385 . 0 0 "[ ]" 1
249 1 16 LEU HA 1 17 ALA H 3.600 2.520 4.680 3.560 3.560 3.560 . 0 0 "[ ]" 1
250 1 16 LEU HA 1 19 ASP HB3 2.760 . 3.760 2.663 2.663 2.663 . 0 0 "[ ]" 1
251 1 16 LEU HB3 1 17 ALA H 3.120 2.120 4.120 2.547 2.547 2.547 . 0 0 "[ ]" 1
252 1 16 LEU MD2 1 17 ALA HA 2.760 . 3.760 3.355 3.355 3.355 . 0 0 "[ ]" 1
253 1 17 ALA H 1 17 ALA MB 2.640 . 3.640 2.097 2.097 2.097 . 0 0 "[ ]" 1
254 1 17 ALA H 1 18 LEU H 3.120 2.120 4.120 2.696 2.696 2.696 . 0 0 "[ ]" 1
255 1 17 ALA H 1 19 ASP H 4.080 2.856 5.304 4.210 4.210 4.210 . 0 0 "[ ]" 1
256 1 17 ALA HA 1 17 ALA MB 2.400 . 3.400 2.149 2.149 2.149 . 0 0 "[ ]" 1
257 1 17 ALA HA 1 18 LEU H 3.240 2.240 4.240 3.568 3.568 3.568 . 0 0 "[ ]" 1
258 1 17 ALA HA 1 20 LEU H 3.720 2.604 4.836 3.141 3.141 3.141 . 0 0 "[ ]" 1
259 1 17 ALA HA 1 20 LEU HB3 2.760 . 3.760 2.181 2.181 2.181 . 0 0 "[ ]" 1
260 1 17 ALA HA 1 21 LEU H 3.840 2.688 4.992 3.780 3.780 3.780 . 0 0 "[ ]" 1
261 1 17 ALA MB 1 18 LEU H 2.760 . 3.760 2.453 2.453 2.453 . 0 0 "[ ]" 1
262 1 17 ALA MB 1 83 TYR HB2 3.000 . 4.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
263 1 17 ALA MB 1 83 TYR HB3 3.120 2.120 4.120 3.405 3.405 3.405 . 0 0 "[ ]" 1
264 1 18 LEU H 1 18 LEU HA 2.880 . 3.880 2.867 2.867 2.867 . 0 0 "[ ]" 1
265 1 18 LEU H 1 18 LEU HB2 2.760 . 3.760 1.938 1.938 1.938 . 0 0 "[ ]" 1
266 1 18 LEU H 1 18 LEU HB3 3.240 2.240 4.240 3.191 3.191 3.191 . 0 0 "[ ]" 1
267 1 18 LEU H 1 18 LEU MD1 3.720 2.604 4.836 3.271 3.271 3.271 . 0 0 "[ ]" 1
268 1 18 LEU H 1 18 LEU MD2 3.720 2.604 4.836 4.372 4.372 4.372 . 0 0 "[ ]" 1
269 1 18 LEU H 1 18 LEU HG 2.880 . 3.880 3.774 3.774 3.774 . 0 0 "[ ]" 1
270 1 18 LEU HA 1 18 LEU HB2 2.520 . 3.520 2.862 2.862 2.862 . 0 0 "[ ]" 1
271 1 18 LEU HA 1 18 LEU MD2 2.640 . 3.640 3.135 3.135 3.135 . 0 0 "[ ]" 1
272 1 18 LEU HA 1 18 LEU HG 3.000 . 4.000 1.957 1.957 1.957 0.043 1 0 "[ ]" 1
273 1 18 LEU HA 1 22 GLU H 3.000 . 4.000 4.044 4.044 4.044 0.044 1 0 "[ ]" 1
274 1 18 LEU HB2 1 19 ASP H 3.000 . 4.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
275 1 18 LEU HB3 1 18 LEU HG 3.120 2.120 4.120 2.895 2.895 2.895 . 0 0 "[ ]" 1
276 1 18 LEU HB3 1 19 ASP H 3.360 2.352 4.368 2.675 2.675 2.675 . 0 0 "[ ]" 1
277 1 19 ASP H 1 19 ASP HA 3.000 . 4.000 2.873 2.873 2.873 . 0 0 "[ ]" 1
278 1 19 ASP H 1 19 ASP HB2 2.640 . 3.640 2.388 2.388 2.388 . 0 0 "[ ]" 1
279 1 19 ASP H 1 19 ASP HB3 2.640 . 3.640 2.481 2.481 2.481 . 0 0 "[ ]" 1
280 1 19 ASP H 1 20 LEU H 3.000 . 4.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
281 1 19 ASP HA 1 19 ASP HB2 2.640 . 3.640 2.506 2.506 2.506 . 0 0 "[ ]" 1
282 1 19 ASP HA 1 19 ASP HB3 2.520 . 3.520 3.039 3.039 3.039 . 0 0 "[ ]" 1
283 1 19 ASP HA 1 20 LEU H 3.720 2.604 4.836 3.569 3.569 3.569 . 0 0 "[ ]" 1
284 1 19 ASP HA 1 22 GLU H 3.240 2.240 4.240 3.866 3.866 3.866 . 0 0 "[ ]" 1
285 1 19 ASP HA 1 23 GLN H 3.840 2.688 4.992 4.043 4.043 4.043 . 0 0 "[ ]" 1
286 1 19 ASP HB2 1 20 LEU H 3.000 . 4.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
287 1 19 ASP HB3 1 20 LEU H 3.000 . 4.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
288 1 19 ASP HB3 1 20 LEU HB3 3.120 2.120 4.120 3.947 3.947 3.947 . 0 0 "[ ]" 1
289 1 20 LEU H 1 20 LEU HA 3.360 2.352 4.368 2.877 2.877 2.877 . 0 0 "[ ]" 1
290 1 20 LEU H 1 20 LEU HB2 3.240 2.240 4.240 3.291 3.291 3.291 . 0 0 "[ ]" 1
291 1 20 LEU H 1 20 LEU HB3 2.640 . 3.640 1.949 1.949 1.949 . 0 0 "[ ]" 1
292 1 20 LEU H 1 20 LEU MD1 3.600 2.520 4.680 4.130 4.130 4.130 . 0 0 "[ ]" 1
293 1 20 LEU H 1 20 LEU MD2 2.880 . 3.880 3.707 3.707 3.707 . 0 0 "[ ]" 1
294 1 20 LEU H 1 20 LEU HG 3.720 2.604 4.836 3.288 3.288 3.288 . 0 0 "[ ]" 1
295 1 20 LEU H 1 21 LEU H 3.240 2.240 4.240 2.681 2.681 2.681 . 0 0 "[ ]" 1
296 1 20 LEU H 1 21 LEU MD1 3.000 . 4.000 4.092 4.092 4.092 0.092 1 0 "[ ]" 1
297 1 20 LEU HA 1 20 LEU HB2 3.000 . 4.000 2.261 2.261 2.261 . 0 0 "[ ]" 1
298 1 20 LEU HA 1 20 LEU HB3 3.120 2.120 4.120 2.816 2.816 2.816 . 0 0 "[ ]" 1
299 1 20 LEU HA 1 20 LEU MD1 2.520 . 3.520 2.757 2.757 2.757 . 0 0 "[ ]" 1
300 1 20 LEU HA 1 20 LEU HG 3.120 2.120 4.120 3.656 3.656 3.656 . 0 0 "[ ]" 1
301 1 20 LEU HA 1 21 LEU H 3.120 2.120 4.120 3.565 3.565 3.565 . 0 0 "[ ]" 1
302 1 20 LEU HA 1 23 GLN H 3.120 2.120 4.120 3.552 3.552 3.552 . 0 0 "[ ]" 1
303 1 20 LEU HA 1 23 GLN HG2 3.120 2.120 4.120 4.018 4.018 4.018 . 0 0 "[ ]" 1
304 1 20 LEU HA 1 24 ILE H 3.840 2.688 4.992 4.184 4.184 4.184 . 0 0 "[ ]" 1
305 1 20 LEU HB2 1 20 LEU MD1 2.280 . 3.280 2.246 2.246 2.246 . 0 0 "[ ]" 1
306 1 20 LEU HB2 1 20 LEU HG 2.280 . 3.280 3.030 3.030 3.030 . 0 0 "[ ]" 1
307 1 20 LEU HB3 1 20 LEU MD2 2.640 . 3.640 2.157 2.157 2.157 . 0 0 "[ ]" 1
308 1 20 LEU MD1 1 20 LEU MD2 2.640 . 3.640 1.852 1.852 1.852 . 0 0 "[ ]" 1
309 1 20 LEU MD1 1 21 LEU MD1 2.760 . 3.760 3.745 3.745 3.745 . 0 0 "[ ]" 1
310 1 20 LEU MD2 1 20 LEU HG 3.000 . 4.000 2.109 2.109 2.109 . 0 0 "[ ]" 1
311 1 20 LEU MD2 1 21 LEU HA 3.360 2.352 4.368 4.343 4.343 4.343 . 0 0 "[ ]" 1
312 1 20 LEU MD2 1 76 PRO HB3 2.760 . 3.760 2.686 2.686 2.686 . 0 0 "[ ]" 1
313 1 20 LEU HG 1 22 GLU H 3.840 2.688 4.992 4.692 4.692 4.692 . 0 0 "[ ]" 1
314 1 21 LEU H 1 21 LEU HB3 3.000 . 4.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
315 1 21 LEU H 1 21 LEU MD1 3.840 2.688 4.992 2.599 2.599 2.599 0.089 1 0 "[ ]" 1
316 1 21 LEU H 1 21 LEU HG 3.120 2.120 4.120 2.932 2.932 2.932 . 0 0 "[ ]" 1
317 1 21 LEU H 1 22 GLU H 3.240 2.240 4.240 2.908 2.908 2.908 . 0 0 "[ ]" 1
318 1 21 LEU H 1 76 PRO HG3 3.720 2.604 4.836 4.870 4.870 4.870 0.034 1 0 "[ ]" 1
319 1 21 LEU H 1 85 ILE MD 3.720 2.604 4.836 4.850 4.850 4.850 0.014 1 0 "[ ]" 1
320 1 21 LEU HA 1 21 LEU MD1 2.640 . 3.640 3.531 3.531 3.531 . 0 0 "[ ]" 1
321 1 21 LEU HA 1 24 ILE H 3.360 2.352 4.368 4.096 4.096 4.096 . 0 0 "[ ]" 1
322 1 21 LEU HA 1 24 ILE HB 3.000 . 4.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
323 1 21 LEU HA 1 24 ILE MD 3.120 2.120 4.120 2.630 2.630 2.630 . 0 0 "[ ]" 1
324 1 21 LEU HB2 1 22 GLU H 3.120 2.120 4.120 2.446 2.446 2.446 . 0 0 "[ ]" 1
325 1 21 LEU HB3 1 21 LEU HG 2.640 . 3.640 2.873 2.873 2.873 . 0 0 "[ ]" 1
326 1 21 LEU HB3 1 22 GLU H 3.360 2.352 4.368 3.009 3.009 3.009 . 0 0 "[ ]" 1
327 1 22 GLU H 1 22 GLU HA 3.000 . 4.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
328 1 22 GLU H 1 23 GLN H 3.000 . 4.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
329 1 22 GLU H 1 24 ILE H 3.720 2.604 4.836 4.589 4.589 4.589 . 0 0 "[ ]" 1
330 1 23 GLN H 1 23 GLN HA 2.640 . 3.640 2.804 2.804 2.804 . 0 0 "[ ]" 1
331 1 23 GLN H 1 23 GLN HB3 2.760 . 3.760 2.646 2.646 2.646 . 0 0 "[ ]" 1
332 1 23 GLN H 1 24 ILE H 3.120 2.120 4.120 2.894 2.894 2.894 . 0 0 "[ ]" 1
333 1 23 GLN H 1 24 ILE MD 3.840 2.688 4.992 4.891 4.891 4.891 . 0 0 "[ ]" 1
334 1 23 GLN H 1 25 LYS H 3.600 2.520 4.680 4.640 4.640 4.640 . 0 0 "[ ]" 1
335 1 23 GLN HA 1 23 GLN HB3 3.000 . 4.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
336 1 23 GLN HA 1 24 ILE H 2.880 . 3.880 3.576 3.576 3.576 . 0 0 "[ ]" 1
337 1 23 GLN HA 1 26 ASN H 3.240 2.240 4.240 3.846 3.846 3.846 . 0 0 "[ ]" 1
338 1 23 GLN HA 1 26 ASN HB2 3.480 2.436 4.524 2.669 2.669 2.669 . 0 0 "[ ]" 1
339 1 23 GLN HA 1 26 ASN HB3 3.240 2.240 4.240 4.145 4.145 4.145 . 0 0 "[ ]" 1
340 1 23 GLN HA 1 27 GLY H 3.840 2.688 4.992 3.580 3.580 3.580 . 0 0 "[ ]" 1
341 1 23 GLN HB3 1 24 ILE H 3.360 2.352 4.368 2.464 2.464 2.464 . 0 0 "[ ]" 1
342 1 23 GLN HG3 1 24 ILE H 3.720 2.604 4.836 3.946 3.946 3.946 . 0 0 "[ ]" 1
343 1 24 ILE H 1 24 ILE HA 3.000 . 4.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
344 1 24 ILE H 1 24 ILE HB 2.760 . 3.760 2.402 2.402 2.402 . 0 0 "[ ]" 1
345 1 24 ILE H 1 24 ILE MD 3.120 2.120 4.120 3.155 3.155 3.155 . 0 0 "[ ]" 1
346 1 24 ILE H 1 24 ILE HG13 2.880 . 3.880 1.929 1.929 1.929 . 0 0 "[ ]" 1
347 1 24 ILE HA 1 24 ILE HB 2.880 . 3.880 3.036 3.036 3.036 . 0 0 "[ ]" 1
348 1 24 ILE HA 1 24 ILE MD 2.880 . 3.880 3.848 3.848 3.848 . 0 0 "[ ]" 1
349 1 24 ILE HA 1 24 ILE HG13 3.000 . 4.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
350 1 24 ILE HA 1 24 ILE MG 2.640 . 3.640 2.356 2.356 2.356 . 0 0 "[ ]" 1
351 1 24 ILE HA 1 27 GLY H 3.840 2.688 4.992 3.598 3.598 3.598 . 0 0 "[ ]" 1
352 1 24 ILE HA 1 28 ALA H 2.880 . 3.880 2.081 2.081 2.081 . 0 0 "[ ]" 1
353 1 24 ILE HA 1 28 ALA HA 3.000 . 4.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
354 1 24 ILE HA 1 28 ALA MB 2.640 . 3.940 4.027 4.027 4.027 0.087 1 0 "[ ]" 1
355 1 24 ILE HB 1 24 ILE MD 3.000 . 4.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
356 1 24 ILE HB 1 24 ILE MG 2.880 . 3.880 2.110 2.110 2.110 . 0 0 "[ ]" 1
357 1 24 ILE HB 1 25 LYS H 3.120 2.120 4.120 2.390 2.390 2.390 . 0 0 "[ ]" 1
358 1 24 ILE HB 1 28 ALA H 3.720 2.604 4.836 4.848 4.848 4.848 0.012 1 0 "[ ]" 1
359 1 24 ILE MD 1 24 ILE MG 2.520 . 3.520 2.103 2.103 2.103 . 0 0 "[ ]" 1
360 1 24 ILE MD 1 30 PHE HA 3.120 2.120 4.120 4.055 4.055 4.055 . 0 0 "[ ]" 1
361 1 24 ILE MD 1 30 PHE QD 3.000 . 4.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
362 1 24 ILE HG12 1 24 ILE MG 2.640 . 3.640 2.158 2.158 2.158 . 0 0 "[ ]" 1
363 1 24 ILE HG12 1 29 ASP H 3.960 2.772 5.148 3.377 3.377 3.377 . 0 0 "[ ]" 1
364 1 24 ILE MG 1 25 LYS H 2.880 . 3.880 3.321 3.321 3.321 . 0 0 "[ ]" 1
365 1 24 ILE MG 1 28 ALA MB 2.640 . 3.640 3.260 3.260 3.260 . 0 0 "[ ]" 1
366 1 24 ILE MG 1 30 PHE HA 3.240 2.240 4.240 3.981 3.981 3.981 . 0 0 "[ ]" 1
367 1 24 ILE MG 1 30 PHE QD 3.000 . 4.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
368 1 25 LYS H 1 25 LYS HA 2.880 . 3.880 2.869 2.869 2.869 . 0 0 "[ ]" 1
369 1 25 LYS H 1 25 LYS HB3 2.760 . 3.760 3.509 3.509 3.509 . 0 0 "[ ]" 1
370 1 25 LYS H 1 25 LYS HG3 3.120 2.120 4.120 2.288 2.288 2.288 . 0 0 "[ ]" 1
371 1 25 LYS H 1 26 ASN H 3.000 . 4.000 2.785 2.785 2.785 . 0 0 "[ ]" 1
372 1 25 LYS HA 1 28 ALA H 3.720 2.604 4.836 4.864 4.864 4.864 0.028 1 0 "[ ]" 1
373 1 25 LYS HB3 1 26 ASN H 2.760 . 3.760 3.243 3.243 3.243 . 0 0 "[ ]" 1
374 1 26 ASN H 1 26 ASN HB2 3.240 2.240 4.240 2.275 2.275 2.275 . 0 0 "[ ]" 1
375 1 26 ASN H 1 27 GLY H 3.000 . 4.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
376 1 26 ASN HA 1 26 ASN HB2 2.880 . 3.880 3.027 3.027 3.027 . 0 0 "[ ]" 1
377 1 26 ASN HA 1 26 ASN HB3 2.880 . 3.880 2.556 2.556 2.556 . 0 0 "[ ]" 1
378 1 26 ASN HA 1 27 GLY H 3.600 2.520 4.680 3.574 3.574 3.574 . 0 0 "[ ]" 1
379 1 26 ASN HB2 1 26 ASN HD21 3.840 2.688 4.992 3.620 3.620 3.620 . 0 0 "[ ]" 1
380 1 26 ASN HB2 1 27 GLY H 3.720 2.604 4.836 2.583 2.583 2.583 0.021 1 0 "[ ]" 1
381 1 26 ASN HB2 1 27 GLY HA3 3.360 2.352 5.360 4.409 4.409 4.409 . 0 0 "[ ]" 1
382 1 26 ASN HB3 1 26 ASN HD21 3.720 2.604 4.836 2.632 2.632 2.632 . 0 0 "[ ]" 1
383 1 26 ASN HB3 1 26 ASN HD22 3.240 2.240 4.240 3.663 3.663 3.663 . 0 0 "[ ]" 1
384 1 27 GLY H 1 27 GLY HA2 2.880 . 3.880 2.984 2.984 2.984 . 0 0 "[ ]" 1
385 1 27 GLY H 1 27 GLY HA3 2.880 . 3.880 2.449 2.449 2.449 . 0 0 "[ ]" 1
386 1 27 GLY H 1 28 ALA H 2.880 . 3.880 2.507 2.507 2.507 . 0 0 "[ ]" 1
387 1 27 GLY H 1 28 ALA HA 4.080 2.856 5.304 4.461 4.461 4.461 . 0 0 "[ ]" 1
388 1 27 GLY HA2 1 28 ALA H 3.240 2.240 4.240 3.571 3.571 3.571 . 0 0 "[ ]" 1
389 1 27 GLY HA3 1 28 ALA H 3.480 2.436 4.524 2.533 2.533 2.533 . 0 0 "[ ]" 1
390 1 28 ALA H 1 28 ALA HA 2.640 . 3.640 2.382 2.382 2.382 . 0 0 "[ ]" 1
391 1 28 ALA H 1 28 ALA MB 2.400 . 3.400 2.992 2.992 2.992 . 0 0 "[ ]" 1
392 1 28 ALA H 1 29 ASP HB2 3.960 2.772 5.148 3.867 3.867 3.867 . 0 0 "[ ]" 1
393 1 28 ALA HA 1 28 ALA MB 2.400 . 3.400 2.134 2.134 2.134 . 0 0 "[ ]" 1
394 1 28 ALA HA 1 29 ASP H 2.400 . 3.400 2.237 2.237 2.237 . 0 0 "[ ]" 1
395 1 28 ALA HA 1 29 ASP HB2 3.120 2.120 4.120 4.208 4.208 4.208 0.088 1 0 "[ ]" 1
396 1 28 ALA MB 1 29 ASP H 2.880 . 3.880 3.574 3.574 3.574 . 0 0 "[ ]" 1
397 1 29 ASP H 1 29 ASP HA 2.880 . 3.880 2.877 2.877 2.877 . 0 0 "[ ]" 1
398 1 29 ASP H 1 30 PHE H 3.720 2.604 4.836 3.134 3.134 3.134 . 0 0 "[ ]" 1
399 1 29 ASP HA 1 30 PHE H 2.400 . 3.400 2.411 2.411 2.411 . 0 0 "[ ]" 1
400 1 29 ASP HA 1 30 PHE HB2 3.480 2.436 4.524 4.370 4.370 4.370 . 0 0 "[ ]" 1
401 1 29 ASP HA 1 31 GLY H 3.840 2.688 4.992 3.882 3.882 3.882 . 0 0 "[ ]" 1
402 1 29 ASP HB3 1 32 LYS H 3.360 2.352 4.368 3.335 3.335 3.335 . 0 0 "[ ]" 1
403 1 29 ASP HB3 1 32 LYS HB2 2.640 . 3.640 2.017 2.017 2.017 . 0 0 "[ ]" 1
404 1 30 PHE H 1 30 PHE HB2 2.760 . 3.760 2.042 2.042 2.042 . 0 0 "[ ]" 1
405 1 30 PHE H 1 30 PHE HB3 3.000 . 4.000 3.416 3.416 3.416 . 0 0 "[ ]" 1
406 1 30 PHE H 1 30 PHE QD 3.840 2.688 4.992 2.618 2.618 2.618 0.070 1 0 "[ ]" 1
407 1 30 PHE H 1 31 GLY H 3.360 2.352 4.368 2.768 2.768 2.768 . 0 0 "[ ]" 1
408 1 30 PHE HA 1 30 PHE HB2 2.760 . 3.760 2.969 2.969 2.969 . 0 0 "[ ]" 1
409 1 30 PHE HA 1 30 PHE HB3 2.760 . 3.760 2.718 2.718 2.718 . 0 0 "[ ]" 1
410 1 30 PHE HA 1 30 PHE QD 3.360 2.352 4.368 2.858 2.858 2.858 . 0 0 "[ ]" 1
411 1 30 PHE HA 1 31 GLY H 3.720 2.604 4.836 3.581 3.581 3.581 . 0 0 "[ ]" 1
412 1 30 PHE HB2 1 30 PHE QD 3.000 . 4.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
413 1 30 PHE HB2 1 31 GLY H 3.480 2.436 4.524 2.779 2.779 2.779 . 0 0 "[ ]" 1
414 1 30 PHE HB3 1 30 PHE QD 3.120 2.120 4.120 2.436 2.436 2.436 . 0 0 "[ ]" 1
415 1 30 PHE HB3 1 31 GLY H 3.000 . 4.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
416 1 30 PHE HB3 1 87 LYS HD2 3.000 . 4.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
417 1 30 PHE HB3 1 87 LYS HE3 2.400 . 3.400 2.873 2.873 2.873 . 0 0 "[ ]" 1
418 1 30 PHE QD 1 31 GLY H 3.840 2.688 4.992 4.519 4.519 4.519 . 0 0 "[ ]" 1
419 1 30 PHE QD 1 85 ILE MG 2.880 . 3.880 3.474 3.474 3.474 . 0 0 "[ ]" 1
420 1 30 PHE QD 1 87 LYS H 4.080 2.856 5.304 5.321 5.321 5.321 0.017 1 0 "[ ]" 1
421 1 32 LYS H 1 32 LYS HA 2.880 . 3.880 2.865 2.865 2.865 . 0 0 "[ ]" 1
422 1 32 LYS H 1 32 LYS HB2 2.760 . 3.760 2.272 2.272 2.272 . 0 0 "[ ]" 1
423 1 32 LYS H 1 33 LEU H 3.120 2.120 4.120 2.726 2.726 2.726 . 0 0 "[ ]" 1
424 1 33 LEU H 1 33 LEU HA 3.240 2.240 4.240 2.862 2.862 2.862 . 0 0 "[ ]" 1
425 1 33 LEU H 1 33 LEU HB2 2.760 . 3.760 2.268 2.268 2.268 . 0 0 "[ ]" 1
426 1 33 LEU H 1 33 LEU MD1 3.960 2.772 5.148 3.374 3.374 3.374 . 0 0 "[ ]" 1
427 1 33 LEU H 1 33 LEU MD2 3.840 2.688 4.992 3.611 3.611 3.611 . 0 0 "[ ]" 1
428 1 33 LEU H 1 33 LEU HG 3.240 2.240 4.240 2.297 2.297 2.297 . 0 0 "[ ]" 1
429 1 33 LEU H 1 34 ALA H 3.120 2.120 4.120 2.721 2.721 2.721 . 0 0 "[ ]" 1
430 1 33 LEU HA 1 33 LEU HB2 2.760 . 3.760 3.025 3.025 3.025 . 0 0 "[ ]" 1
431 1 33 LEU HA 1 33 LEU HB3 3.120 2.120 4.120 2.568 2.568 2.568 . 0 0 "[ ]" 1
432 1 33 LEU HA 1 33 LEU MD2 2.880 . 3.880 2.097 2.097 2.097 . 0 0 "[ ]" 1
433 1 33 LEU HA 1 34 ALA H 3.600 2.520 4.680 3.574 3.574 3.574 . 0 0 "[ ]" 1
434 1 33 LEU HA 1 35 LYS H 3.600 2.520 4.680 4.360 4.360 4.360 . 0 0 "[ ]" 1
435 1 33 LEU HA 1 36 LYS H 3.240 2.240 4.240 3.270 3.270 3.270 . 0 0 "[ ]" 1
436 1 33 LEU HA 1 37 HIS H 3.600 2.520 4.680 3.912 3.912 3.912 . 0 0 "[ ]" 1
437 1 33 LEU HB2 1 33 LEU HG 2.760 . 3.760 2.533 2.533 2.533 . 0 0 "[ ]" 1
438 1 34 ALA H 1 34 ALA HA 3.240 2.240 4.240 2.869 2.869 2.869 . 0 0 "[ ]" 1
439 1 34 ALA H 1 34 ALA MB 2.640 . 3.640 2.123 2.123 2.123 . 0 0 "[ ]" 1
440 1 34 ALA H 1 35 LYS H 3.120 2.120 4.120 2.678 2.678 2.678 . 0 0 "[ ]" 1
441 1 34 ALA H 1 36 LYS H 4.200 2.940 5.460 4.219 4.219 4.219 . 0 0 "[ ]" 1
442 1 34 ALA H 1 37 HIS H 3.840 2.688 4.992 4.924 4.924 4.924 . 0 0 "[ ]" 1
443 1 34 ALA HA 1 34 ALA MB 2.400 . 3.400 2.155 2.155 2.155 . 0 0 "[ ]" 1
444 1 34 ALA HA 1 35 LYS H 3.720 2.604 4.836 3.565 3.565 3.565 . 0 0 "[ ]" 1
445 1 34 ALA HA 1 37 HIS H 3.840 2.688 4.992 3.783 3.783 3.783 . 0 0 "[ ]" 1
446 1 34 ALA HA 1 38 SER H 3.120 2.120 4.120 3.494 3.494 3.494 . 0 0 "[ ]" 1
447 1 34 ALA HA 1 38 SER HB2 2.880 . 3.880 3.244 3.244 3.244 . 0 0 "[ ]" 1
448 1 34 ALA MB 1 35 LYS H 2.760 . 3.760 2.380 2.380 2.380 . 0 0 "[ ]" 1
449 1 34 ALA MB 1 47 GLY QA 3.120 2.120 4.120 2.269 2.269 2.269 . 0 0 "[ ]" 1
450 1 34 ALA MB 1 47 GLY HA3 3.120 2.120 4.120 2.555 2.555 2.555 . 0 0 "[ ]" 1
451 1 35 LYS H 1 35 LYS HA 3.000 . 4.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
452 1 35 LYS H 1 36 LYS H 3.120 2.120 4.120 2.775 2.775 2.775 . 0 0 "[ ]" 1
453 1 35 LYS HA 1 36 LYS H 2.880 . 3.880 3.579 3.579 3.579 . 0 0 "[ ]" 1
454 1 36 LYS H 1 36 LYS HA 2.880 . 3.880 2.854 2.854 2.854 . 0 0 "[ ]" 1
455 1 36 LYS H 1 36 LYS HB2 2.640 . 3.640 2.464 2.464 2.464 . 0 0 "[ ]" 1
456 1 36 LYS H 1 36 LYS HB3 2.640 . 3.640 2.374 2.374 2.374 . 0 0 "[ ]" 1
457 1 36 LYS H 1 36 LYS HG3 4.080 2.856 5.304 4.412 4.412 4.412 . 0 0 "[ ]" 1
458 1 36 LYS H 1 37 HIS H 3.120 2.120 4.120 2.766 2.766 2.766 . 0 0 "[ ]" 1
459 1 36 LYS H 1 38 SER H 3.600 2.520 4.680 4.259 4.259 4.259 . 0 0 "[ ]" 1
460 1 36 LYS HA 1 36 LYS HB2 2.640 . 3.640 2.443 2.443 2.443 . 0 0 "[ ]" 1
461 1 36 LYS HA 1 36 LYS HB3 3.120 2.120 4.120 3.031 3.031 3.031 . 0 0 "[ ]" 1
462 1 36 LYS HA 1 36 LYS HG2 2.880 . 3.880 3.107 3.107 3.107 . 0 0 "[ ]" 1
463 1 36 LYS HA 1 37 HIS H 3.720 2.604 4.836 3.573 3.573 3.573 . 0 0 "[ ]" 1
464 1 36 LYS HB2 1 36 LYS HG2 2.880 . 3.880 3.035 3.035 3.035 . 0 0 "[ ]" 1
465 1 36 LYS HB2 1 36 LYS HG3 3.120 2.120 4.120 2.470 2.470 2.470 . 0 0 "[ ]" 1
466 1 36 LYS HB3 1 36 LYS HG2 3.000 . 4.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
467 1 36 LYS HB3 1 36 LYS HG3 2.760 . 3.760 3.035 3.035 3.035 . 0 0 "[ ]" 1
468 1 36 LYS HB3 1 37 HIS H 3.120 2.120 4.120 2.537 2.537 2.537 . 0 0 "[ ]" 1
469 1 37 HIS H 1 37 HIS HA 3.360 2.352 4.368 2.955 2.955 2.955 . 0 0 "[ ]" 1
470 1 37 HIS H 1 37 HIS HB2 3.360 2.352 4.368 2.199 2.199 2.199 0.153 1 0 "[ ]" 1
471 1 37 HIS H 1 37 HIS HB3 3.000 . 4.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
472 1 37 HIS H 1 37 HIS HD1 4.080 2.856 5.304 4.679 4.679 4.679 . 0 0 "[ ]" 1
473 1 37 HIS H 1 38 SER H 3.000 . 4.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
474 1 37 HIS H 1 39 ILE H 4.080 2.856 5.304 4.478 4.478 4.478 . 0 0 "[ ]" 1
475 1 37 HIS HA 1 37 HIS HB2 3.120 2.120 4.120 3.017 3.017 3.017 . 0 0 "[ ]" 1
476 1 37 HIS HB2 1 38 SER H 3.840 2.688 4.992 3.000 3.000 3.000 . 0 0 "[ ]" 1
477 1 37 HIS HB3 1 38 SER H 3.480 2.436 4.524 3.779 3.779 3.779 . 0 0 "[ ]" 1
478 1 38 SER H 1 38 SER HA 3.000 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
479 1 38 SER H 1 38 SER HB2 2.640 . 3.640 2.382 2.382 2.382 . 0 0 "[ ]" 1
480 1 38 SER H 1 38 SER HB3 2.880 . 3.880 2.495 2.495 2.495 . 0 0 "[ ]" 1
481 1 38 SER H 1 39 ILE H 3.960 2.772 5.148 2.822 2.822 2.822 . 0 0 "[ ]" 1
482 1 38 SER HA 1 38 SER HB2 3.120 2.120 4.120 2.481 2.481 2.481 . 0 0 "[ ]" 1
483 1 38 SER HA 1 38 SER HB3 3.360 2.352 4.368 3.035 3.035 3.035 . 0 0 "[ ]" 1
484 1 38 SER HA 1 39 ILE H 2.760 . 3.760 3.574 3.574 3.574 . 0 0 "[ ]" 1
485 1 38 SER HA 1 40 CYS H 3.360 2.352 4.368 3.965 3.965 3.965 . 0 0 "[ ]" 1
486 1 38 SER HA 1 40 CYS HB3 3.000 . 4.000 4.026 4.026 4.026 0.026 1 0 "[ ]" 1
487 1 38 SER HB3 1 43 GLY HA2 3.360 2.352 4.368 2.675 2.675 2.675 . 0 0 "[ ]" 1
488 1 39 ILE H 1 39 ILE HA 3.240 2.240 4.240 2.387 2.387 2.387 . 0 0 "[ ]" 1
489 1 39 ILE H 1 39 ILE HB 3.720 2.604 4.836 2.783 2.783 2.783 . 0 0 "[ ]" 1
490 1 39 ILE H 1 39 ILE MD 3.960 2.772 5.148 4.545 4.545 4.545 . 0 0 "[ ]" 1
491 1 39 ILE H 1 39 ILE MG 2.880 . 3.880 3.197 3.197 3.197 . 0 0 "[ ]" 1
492 1 39 ILE H 1 40 CYS H 3.360 2.352 4.368 2.996 2.996 2.996 . 0 0 "[ ]" 1
493 1 39 ILE H 1 43 GLY HA2 4.080 2.856 5.304 4.845 4.845 4.845 . 0 0 "[ ]" 1
494 1 39 ILE HA 1 39 ILE HB 2.520 . 3.520 2.527 2.527 2.527 . 0 0 "[ ]" 1
495 1 39 ILE HA 1 39 ILE MD 3.000 . 4.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
496 1 39 ILE HA 1 39 ILE MG 2.640 . 3.640 3.191 3.191 3.191 . 0 0 "[ ]" 1
497 1 39 ILE HA 1 40 CYS H 3.600 2.520 4.680 3.014 3.014 3.014 . 0 0 "[ ]" 1
498 1 39 ILE HB 1 39 ILE MD 2.520 . 3.520 2.123 2.123 2.123 . 0 0 "[ ]" 1
499 1 39 ILE HB 1 39 ILE MG 2.400 . 3.400 2.141 2.141 2.141 . 0 0 "[ ]" 1
500 1 39 ILE MD 1 39 ILE MG 2.880 . 3.880 2.156 2.156 2.156 . 0 0 "[ ]" 1
501 1 40 CYS H 1 40 CYS HA 3.600 2.520 4.680 3.002 3.002 3.002 . 0 0 "[ ]" 1
502 1 40 CYS H 1 40 CYS HB2 3.000 . 4.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
503 1 40 CYS H 1 40 CYS HB3 3.000 . 4.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
504 1 40 CYS HA 1 40 CYS HB2 2.880 . 3.880 2.392 2.392 2.392 . 0 0 "[ ]" 1
505 1 40 CYS HA 1 41 PRO HD2 2.640 . 3.640 2.980 2.980 2.980 . 0 0 "[ ]" 1
506 1 40 CYS HA 1 41 PRO HD3 2.400 . 3.400 2.067 2.067 2.067 . 0 0 "[ ]" 1
507 1 40 CYS HA 1 43 GLY H 3.720 2.604 4.836 4.764 4.764 4.764 . 0 0 "[ ]" 1
508 1 40 CYS HB3 1 43 GLY H 3.840 2.688 4.992 4.983 4.983 4.983 . 0 0 "[ ]" 1
509 1 41 PRO HA 1 42 SER H 3.600 2.520 4.680 3.482 3.482 3.482 . 0 0 "[ ]" 1
510 1 41 PRO HA 1 43 GLY H 3.600 2.520 4.680 3.697 3.697 3.697 . 0 0 "[ ]" 1
511 1 41 PRO HA 1 44 LYS H 3.840 2.688 4.992 5.036 5.036 5.036 0.044 1 0 "[ ]" 1
512 1 41 PRO HB2 1 42 SER H 3.960 2.772 5.148 3.070 3.070 3.070 . 0 0 "[ ]" 1
513 1 41 PRO HD2 1 42 SER H 3.600 2.520 4.680 2.683 2.683 2.683 . 0 0 "[ ]" 1
514 1 41 PRO HD2 1 43 GLY H 3.840 2.688 4.992 4.877 4.877 4.877 . 0 0 "[ ]" 1
515 1 42 SER H 1 42 SER HA 3.240 2.240 4.240 2.986 2.986 2.986 . 0 0 "[ ]" 1
516 1 42 SER H 1 42 SER HB3 3.720 2.604 4.836 3.372 3.372 3.372 . 0 0 "[ ]" 1
517 1 42 SER H 1 43 GLY H 3.480 2.436 4.524 2.665 2.665 2.665 . 0 0 "[ ]" 1
518 1 42 SER H 1 43 GLY HA2 4.080 2.856 5.304 4.702 4.702 4.702 . 0 0 "[ ]" 1
519 1 42 SER H 1 45 ARG H 3.960 2.772 5.148 5.236 5.236 5.236 0.088 1 0 "[ ]" 1
520 1 42 SER HA 1 45 ARG H 3.480 2.436 4.524 2.854 2.854 2.854 . 0 0 "[ ]" 1
521 1 42 SER HA 1 45 ARG HB3 3.240 2.240 4.240 2.406 2.406 2.406 . 0 0 "[ ]" 1
522 1 42 SER HA 1 45 ARG HG3 3.240 2.240 4.240 3.679 3.679 3.679 . 0 0 "[ ]" 1
523 1 42 SER HB2 1 49 LEU MD2 3.480 2.436 4.524 4.286 4.286 4.286 . 0 0 "[ ]" 1
524 1 42 SER HB3 1 43 GLY H 3.960 2.772 5.148 4.682 4.682 4.682 . 0 0 "[ ]" 1
525 1 42 SER HB3 1 49 LEU MD2 3.360 2.352 4.368 4.141 4.141 4.141 . 0 0 "[ ]" 1
526 1 43 GLY H 1 43 GLY HA3 2.880 . 3.880 2.375 2.375 2.375 . 0 0 "[ ]" 1
527 1 43 GLY H 1 44 LYS H 3.360 2.352 4.368 2.582 2.582 2.582 . 0 0 "[ ]" 1
528 1 43 GLY H 1 44 LYS HB2 3.960 2.772 5.148 4.361 4.361 4.361 . 0 0 "[ ]" 1
529 1 43 GLY HA2 1 44 LYS H 3.600 2.520 4.680 3.580 3.580 3.580 . 0 0 "[ ]" 1
530 1 43 GLY HA2 1 45 ARG H 3.960 2.772 5.148 4.463 4.463 4.463 . 0 0 "[ ]" 1
531 1 43 GLY HA2 1 47 GLY H 3.480 2.436 4.524 3.227 3.227 3.227 . 0 0 "[ ]" 1
532 1 43 GLY HA3 1 44 LYS H 3.240 2.240 4.240 2.641 2.641 2.641 . 0 0 "[ ]" 1
533 1 43 GLY HA3 1 45 ARG H 3.480 2.436 4.524 4.541 4.541 4.541 0.017 1 0 "[ ]" 1
534 1 43 GLY HA3 1 47 GLY H 3.480 2.436 4.524 4.543 4.543 4.543 0.019 1 0 "[ ]" 1
535 1 44 LYS H 1 44 LYS HA 2.880 . 3.880 2.870 2.870 2.870 . 0 0 "[ ]" 1
536 1 44 LYS H 1 44 LYS HB2 2.760 . 3.760 2.289 2.289 2.289 . 0 0 "[ ]" 1
537 1 44 LYS HA 1 44 LYS HB2 2.520 . 3.520 3.028 3.028 3.028 . 0 0 "[ ]" 1
538 1 44 LYS HA 1 45 ARG H 3.360 2.352 4.368 3.579 3.579 3.579 . 0 0 "[ ]" 1
539 1 45 ARG H 1 45 ARG HB2 3.360 2.352 4.368 2.972 2.972 2.972 . 0 0 "[ ]" 1
540 1 45 ARG H 1 45 ARG HB3 2.880 . 3.880 2.143 2.143 2.143 . 0 0 "[ ]" 1
541 1 45 ARG H 1 45 ARG HG3 3.000 . 4.000 4.031 4.031 4.031 0.031 1 0 "[ ]" 1
542 1 45 ARG H 1 46 GLY H 3.000 . 4.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
543 1 45 ARG H 1 47 GLY H 3.720 2.604 4.836 3.736 3.736 3.736 . 0 0 "[ ]" 1
544 1 45 ARG HA 1 45 ARG HB2 2.880 . 3.880 2.339 2.339 2.339 . 0 0 "[ ]" 1
545 1 45 ARG HA 1 45 ARG HB3 3.000 . 4.000 3.010 3.010 3.010 . 0 0 "[ ]" 1
546 1 45 ARG HA 1 45 ARG HD2 3.120 2.120 4.120 2.869 2.869 2.869 . 0 0 "[ ]" 1
547 1 45 ARG HA 1 45 ARG HD3 3.120 2.120 4.120 2.316 2.316 2.316 . 0 0 "[ ]" 1
548 1 45 ARG HA 1 46 GLY H 3.240 2.240 4.240 3.576 3.576 3.576 . 0 0 "[ ]" 1
549 1 45 ARG HA 1 47 GLY H 3.840 2.688 4.992 4.291 4.291 4.291 . 0 0 "[ ]" 1
550 1 45 ARG HB2 1 45 ARG HD2 2.880 . 3.880 3.519 3.519 3.519 . 0 0 "[ ]" 1
551 1 45 ARG HB2 1 45 ARG HG2 2.640 . 3.640 2.455 2.455 2.455 . 0 0 "[ ]" 1
552 1 45 ARG HB3 1 46 GLY H 3.840 2.688 4.992 2.634 2.634 2.634 0.054 1 0 "[ ]" 1
553 1 45 ARG HB3 1 47 GLY H 4.080 2.856 5.304 4.931 4.931 4.931 . 0 0 "[ ]" 1
554 1 45 ARG HG3 1 46 GLY H 2.880 . 3.880 2.963 2.963 2.963 . 0 0 "[ ]" 1
555 1 45 ARG HG3 1 46 GLY HA3 3.120 2.120 4.120 4.094 4.094 4.094 . 0 0 "[ ]" 1
556 1 46 GLY H 1 46 GLY HA2 2.880 . 3.880 2.858 2.858 2.858 . 0 0 "[ ]" 1
557 1 46 GLY H 1 46 GLY HA3 2.880 . 3.880 2.346 2.346 2.346 . 0 0 "[ ]" 1
558 1 46 GLY H 1 47 GLY H 3.000 . 4.000 2.662 2.662 2.662 . 0 0 "[ ]" 1
559 1 46 GLY H 1 47 GLY QA 3.840 2.688 4.992 4.589 4.589 4.589 . 0 0 "[ ]" 1
560 1 46 GLY HA3 1 47 GLY H 3.720 2.604 4.836 2.895 2.895 2.895 . 0 0 "[ ]" 1
561 1 46 GLY HA3 1 48 ASP H 3.840 2.688 4.992 4.074 4.074 4.074 . 0 0 "[ ]" 1
562 1 47 GLY H 1 47 GLY HA2 3.000 . 4.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
563 1 47 GLY H 1 47 GLY HA3 3.240 2.240 4.240 2.355 2.355 2.355 . 0 0 "[ ]" 1
564 1 47 GLY H 1 48 ASP H 3.360 2.352 4.368 2.674 2.674 2.674 . 0 0 "[ ]" 1
565 1 47 GLY HA2 1 48 ASP H 3.840 2.688 4.992 3.286 3.286 3.286 . 0 0 "[ ]" 1
566 1 47 GLY HA2 1 49 LEU H 3.960 2.772 5.148 5.184 5.184 5.184 0.036 1 0 "[ ]" 1
567 1 47 GLY HA3 1 48 ASP H 3.600 2.520 4.680 3.295 3.295 3.295 . 0 0 "[ ]" 1
568 1 48 ASP H 1 48 ASP HA 3.240 2.240 4.240 2.896 2.896 2.896 . 0 0 "[ ]" 1
569 1 48 ASP H 1 48 ASP HB2 2.880 . 3.880 3.405 3.405 3.405 . 0 0 "[ ]" 1
570 1 48 ASP H 1 49 LEU H 3.960 2.772 5.148 3.045 3.045 3.045 . 0 0 "[ ]" 1
571 1 48 ASP H 1 49 LEU MD1 3.120 2.120 4.120 4.009 4.009 4.009 . 0 0 "[ ]" 1
572 1 48 ASP HA 1 48 ASP HB2 3.000 . 4.000 2.494 2.494 2.494 . 0 0 "[ ]" 1
573 1 48 ASP HA 1 48 ASP HB3 3.000 . 4.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
574 1 48 ASP HA 1 49 LEU H 2.640 . 3.640 2.421 2.421 2.421 . 0 0 "[ ]" 1
575 1 48 ASP HA 1 50 GLY H 3.240 2.240 4.240 3.209 3.209 3.209 . 0 0 "[ ]" 1
576 1 48 ASP HB2 1 49 LEU H 3.960 2.772 5.148 4.644 4.644 4.644 . 0 0 "[ ]" 1
577 1 49 LEU H 1 49 LEU HA 3.600 2.520 4.680 2.919 2.919 2.919 . 0 0 "[ ]" 1
578 1 49 LEU H 1 49 LEU HB2 3.480 2.436 4.524 2.278 2.278 2.278 0.158 1 0 "[ ]" 1
579 1 49 LEU H 1 49 LEU HB3 3.120 2.120 4.120 3.522 3.522 3.522 . 0 0 "[ ]" 1
580 1 49 LEU H 1 49 LEU MD1 4.080 2.856 5.304 2.925 2.925 2.925 . 0 0 "[ ]" 1
581 1 49 LEU H 1 49 LEU MD2 3.600 2.520 4.680 3.867 3.867 3.867 . 0 0 "[ ]" 1
582 1 49 LEU H 1 49 LEU HG 3.480 2.436 4.524 2.405 2.405 2.405 0.031 1 0 "[ ]" 1
583 1 49 LEU H 1 50 GLY H 3.120 2.120 4.120 2.552 2.552 2.552 . 0 0 "[ ]" 1
584 1 49 LEU HA 1 49 LEU HB2 3.120 2.120 4.120 3.034 3.034 3.034 . 0 0 "[ ]" 1
585 1 49 LEU HA 1 49 LEU MD1 3.480 2.436 4.524 3.822 3.822 3.822 . 0 0 "[ ]" 1
586 1 49 LEU HA 1 49 LEU MD2 2.640 . 3.640 2.560 2.560 2.560 . 0 0 "[ ]" 1
587 1 49 LEU HA 1 49 LEU HG 3.360 2.352 4.368 2.550 2.550 2.550 . 0 0 "[ ]" 1
588 1 49 LEU HA 1 50 GLY H 3.600 2.520 4.680 3.357 3.357 3.357 . 0 0 "[ ]" 1
589 1 49 LEU HB2 1 49 LEU MD1 2.880 . 3.880 1.989 1.989 1.989 . 0 0 "[ ]" 1
590 1 49 LEU HB2 1 49 LEU MD2 2.760 . 3.760 3.088 3.088 3.088 . 0 0 "[ ]" 1
591 1 49 LEU HB2 1 49 LEU HG 2.760 . 3.760 2.703 2.703 2.703 . 0 0 "[ ]" 1
592 1 49 LEU HB3 1 49 LEU MD1 3.000 . 4.000 2.737 2.737 2.737 . 0 0 "[ ]" 1
593 1 49 LEU HB3 1 49 LEU MD2 3.000 . 4.000 1.985 1.985 1.985 0.015 1 0 "[ ]" 1
594 1 49 LEU HB3 1 50 GLY H 4.200 2.940 5.460 4.168 4.168 4.168 . 0 0 "[ ]" 1
595 1 49 LEU MD1 1 52 PHE QE 3.360 2.352 4.368 2.457 2.457 2.457 . 0 0 "[ ]" 1
596 1 49 LEU MD2 1 52 PHE QE 3.240 2.240 4.240 4.240 4.240 4.240 0.000 1 0 "[ ]" 1
597 1 50 GLY H 1 50 GLY HA2 2.760 . 3.760 2.355 2.355 2.355 . 0 0 "[ ]" 1
598 1 50 GLY HA2 1 51 GLU H 2.880 . 3.880 3.120 3.120 3.120 . 0 0 "[ ]" 1
599 1 51 GLU H 1 51 GLU HA 3.240 2.240 4.240 2.985 2.985 2.985 . 0 0 "[ ]" 1
600 1 51 GLU H 1 52 PHE H 3.720 2.604 4.836 4.513 4.513 4.513 . 0 0 "[ ]" 1
601 1 51 GLU HA 1 51 GLU HG3 3.120 2.120 4.120 2.198 2.198 2.198 . 0 0 "[ ]" 1
602 1 51 GLU HA 1 52 PHE H 2.640 . 3.640 2.203 2.203 2.203 . 0 0 "[ ]" 1
603 1 51 GLU HG2 1 52 PHE H 3.720 2.604 4.836 3.813 3.813 3.813 . 0 0 "[ ]" 1
604 1 52 PHE H 1 52 PHE HA 3.600 2.520 4.680 2.974 2.974 2.974 . 0 0 "[ ]" 1
605 1 52 PHE H 1 53 ARG H 3.960 2.772 5.148 4.421 4.421 4.421 . 0 0 "[ ]" 1
606 1 52 PHE H 1 56 GLN HG3 4.080 2.856 5.304 5.078 5.078 5.078 . 0 0 "[ ]" 1
607 1 52 PHE HA 1 52 PHE HB2 2.760 . 3.760 2.534 2.534 2.534 . 0 0 "[ ]" 1
608 1 52 PHE HA 1 53 ARG H 2.760 . 3.760 2.402 2.402 2.402 . 0 0 "[ ]" 1
609 1 52 PHE HA 1 56 GLN HE22 3.840 2.688 4.992 5.028 5.028 5.028 0.036 1 0 "[ ]" 1
610 1 52 PHE QD 1 53 ARG H 3.840 2.688 4.992 3.439 3.439 3.439 . 0 0 "[ ]" 1
611 1 53 ARG H 1 53 ARG HA 3.480 2.436 4.524 2.954 2.954 2.954 . 0 0 "[ ]" 1
612 1 53 ARG H 1 53 ARG HB2 3.480 2.436 4.524 3.566 3.566 3.566 . 0 0 "[ ]" 1
613 1 53 ARG H 1 53 ARG HB3 2.760 . 3.760 2.730 2.730 2.730 . 0 0 "[ ]" 1
614 1 53 ARG H 1 56 GLN HB3 3.960 2.772 5.148 4.694 4.694 4.694 . 0 0 "[ ]" 1
615 1 53 ARG H 1 56 GLN HE22 3.960 2.772 5.148 3.696 3.696 3.696 . 0 0 "[ ]" 1
616 1 53 ARG H 1 56 GLN HG3 3.720 2.604 4.836 2.597 2.597 2.597 0.007 1 0 "[ ]" 1
617 1 53 ARG HA 1 54 GLN H 2.640 . 3.640 2.484 2.484 2.484 . 0 0 "[ ]" 1
618 1 53 ARG HB2 1 54 GLN H 3.120 2.120 4.120 2.466 2.466 2.466 . 0 0 "[ ]" 1
619 1 54 GLN H 1 54 GLN HA 3.240 2.240 4.240 2.833 2.833 2.833 . 0 0 "[ ]" 1
620 1 54 GLN H 1 54 GLN QB 3.000 . 4.000 2.299 2.299 2.299 . 0 0 "[ ]" 1
621 1 54 GLN H 1 54 GLN HG2 2.880 . 3.880 2.067 2.067 2.067 . 0 0 "[ ]" 1
622 1 54 GLN H 1 56 GLN HG2 3.960 2.772 5.148 4.627 4.627 4.627 . 0 0 "[ ]" 1
623 1 54 GLN HA 1 54 GLN HG3 2.760 . 3.760 3.720 3.720 3.720 . 0 0 "[ ]" 1
624 1 54 GLN HA 1 55 GLY H 2.640 . 3.640 3.439 3.439 3.439 . 0 0 "[ ]" 1
625 1 54 GLN HG2 1 55 GLY H 3.600 2.520 4.680 2.650 2.650 2.650 . 0 0 "[ ]" 1
626 1 54 GLN HG3 1 55 GLY H 3.360 2.352 4.368 2.891 2.891 2.891 . 0 0 "[ ]" 1
627 1 55 GLY H 1 55 GLY HA2 2.760 . 3.760 2.974 2.974 2.974 . 0 0 "[ ]" 1
628 1 55 GLY H 1 55 GLY HA3 3.000 . 4.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
629 1 55 GLY H 1 56 GLN H 3.240 2.240 4.240 3.480 3.480 3.480 . 0 0 "[ ]" 1
630 1 55 GLY H 1 56 GLN HE21 3.960 2.772 5.148 3.826 3.826 3.826 . 0 0 "[ ]" 1
631 1 55 GLY H 1 56 GLN HE22 3.960 2.772 5.148 5.165 5.165 5.165 0.017 1 0 "[ ]" 1
632 1 55 GLY H 1 57 MET H 4.200 2.940 5.460 5.509 5.509 5.509 0.049 1 0 "[ ]" 1
633 1 55 GLY HA2 1 56 GLN H 3.840 2.688 4.992 2.629 2.629 2.629 0.059 1 0 "[ ]" 1
634 1 56 GLN H 1 56 GLN HB2 2.880 . 3.880 2.836 2.836 2.836 . 0 0 "[ ]" 1
635 1 56 GLN H 1 56 GLN HB3 3.120 2.120 4.120 3.831 3.831 3.831 . 0 0 "[ ]" 1
636 1 56 GLN H 1 56 GLN HG2 3.600 2.520 4.680 2.450 2.450 2.450 0.070 1 0 "[ ]" 1
637 1 56 GLN H 1 57 MET H 3.000 . 4.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
638 1 56 GLN H 1 57 MET HB3 3.840 2.688 4.992 4.987 4.987 4.987 . 0 0 "[ ]" 1
639 1 56 GLN HA 1 56 GLN HB2 2.520 . 3.520 3.013 3.013 3.013 . 0 0 "[ ]" 1
640 1 56 GLN HA 1 56 GLN HB3 3.000 . 4.000 2.361 2.361 2.361 . 0 0 "[ ]" 1
641 1 56 GLN HA 1 56 GLN HG2 2.880 . 3.880 2.986 2.986 2.986 . 0 0 "[ ]" 1
642 1 56 GLN HA 1 57 MET H 3.000 . 4.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
643 1 56 GLN HB2 1 56 GLN HE21 3.480 2.436 4.524 4.295 4.295 4.295 . 0 0 "[ ]" 1
644 1 56 GLN HB2 1 57 MET HA 2.760 . 3.760 3.927 3.927 3.927 0.167 1 0 "[ ]" 1
645 1 56 GLN HB3 1 57 MET H 3.360 2.352 4.368 3.332 3.332 3.332 . 0 0 "[ ]" 1
646 1 56 GLN HE21 1 57 MET H 4.080 2.856 5.304 5.341 5.341 5.341 0.037 1 0 "[ ]" 1
647 1 57 MET H 1 57 MET HA 3.600 2.520 4.680 2.943 2.943 2.943 . 0 0 "[ ]" 1
648 1 57 MET H 1 57 MET HB2 3.000 . 4.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
649 1 57 MET H 1 57 MET HB3 3.360 2.352 4.368 2.859 2.859 2.859 . 0 0 "[ ]" 1
650 1 57 MET HA 1 57 MET HB3 2.760 . 3.760 2.965 2.965 2.965 . 0 0 "[ ]" 1
651 1 57 MET HA 1 57 MET HG3 3.000 . 4.000 2.190 2.190 2.190 . 0 0 "[ ]" 1
652 1 57 MET HA 1 58 VAL H 2.760 . 3.760 3.582 3.582 3.582 . 0 0 "[ ]" 1
653 1 57 MET HB2 1 58 VAL H 3.480 2.436 4.524 3.164 3.164 3.164 . 0 0 "[ ]" 1
654 1 57 MET HB3 1 57 MET HG2 2.400 . 3.400 2.396 2.396 2.396 . 0 0 "[ ]" 1
655 1 57 MET HB3 1 58 VAL H 3.000 . 4.000 1.986 1.986 1.986 0.014 1 0 "[ ]" 1
656 1 57 MET HB3 1 58 VAL MG1 2.640 . 3.640 1.882 1.882 1.882 . 0 0 "[ ]" 1
657 1 58 VAL H 1 58 VAL HB 3.720 2.604 4.836 3.292 3.292 3.292 . 0 0 "[ ]" 1
658 1 58 VAL H 1 58 VAL MG1 2.640 . 3.640 2.110 2.110 2.110 . 0 0 "[ ]" 1
659 1 58 VAL H 1 61 PHE HB2 4.080 2.856 5.304 3.692 3.692 3.692 . 0 0 "[ ]" 1
660 1 58 VAL HA 1 58 VAL HB 2.640 . 3.640 2.413 2.413 2.413 . 0 0 "[ ]" 1
661 1 58 VAL HA 1 58 VAL MG1 2.640 . 3.640 3.179 3.179 3.179 . 0 0 "[ ]" 1
662 1 58 VAL HA 1 58 VAL MG2 3.120 2.120 4.120 2.416 2.416 2.416 . 0 0 "[ ]" 1
663 1 58 VAL HA 1 59 PRO HD2 2.640 . 3.640 2.016 2.016 2.016 . 0 0 "[ ]" 1
664 1 58 VAL HA 1 59 PRO HD3 2.520 . 3.520 2.373 2.373 2.373 . 0 0 "[ ]" 1
665 1 58 VAL HB 1 59 PRO HD2 2.880 . 3.880 3.588 3.588 3.588 . 0 0 "[ ]" 1
666 1 58 VAL HB 1 61 PHE H 3.960 2.772 5.148 4.994 4.994 4.994 . 0 0 "[ ]" 1
667 1 58 VAL MG1 1 59 PRO HD2 3.000 . 4.000 4.082 4.082 4.082 0.082 1 0 "[ ]" 1
668 1 58 VAL MG1 1 61 PHE H 2.760 . 3.760 2.585 2.585 2.585 . 0 0 "[ ]" 1
669 1 58 VAL MG2 1 59 PRO HB2 3.480 2.436 4.524 4.322 4.322 4.322 . 0 0 "[ ]" 1
670 1 58 VAL MG2 1 60 ALA H 3.600 2.520 4.680 2.376 2.376 2.376 0.144 1 0 "[ ]" 1
671 1 58 VAL MG2 1 61 PHE H 2.880 . 3.880 2.665 2.665 2.665 . 0 0 "[ ]" 1
672 1 58 VAL MG2 1 61 PHE HB2 2.880 . 3.880 3.923 3.923 3.923 0.043 1 0 "[ ]" 1
673 1 58 VAL MG2 1 62 ASP H 3.840 2.688 4.992 4.946 4.946 4.946 . 0 0 "[ ]" 1
674 1 58 VAL MG2 1 79 THR HB 3.120 2.120 4.120 4.004 4.004 4.004 . 0 0 "[ ]" 1
675 1 59 PRO HA 1 59 PRO HB3 2.760 . 3.760 2.284 2.284 2.284 . 0 0 "[ ]" 1
676 1 59 PRO HA 1 60 ALA H 3.600 2.520 4.680 3.587 3.587 3.587 . 0 0 "[ ]" 1
677 1 59 PRO HA 1 61 PHE H 3.960 2.772 5.148 3.698 3.698 3.698 . 0 0 "[ ]" 1
678 1 59 PRO HA 1 62 ASP H 3.360 2.352 4.368 3.260 3.260 3.260 . 0 0 "[ ]" 1
679 1 59 PRO HA 1 62 ASP HB2 2.880 . 3.880 3.644 3.644 3.644 . 0 0 "[ ]" 1
680 1 59 PRO HA 1 62 ASP HB3 3.120 2.120 4.120 3.766 3.766 3.766 . 0 0 "[ ]" 1
681 1 59 PRO HA 1 63 LYS H 3.840 2.688 4.992 5.077 5.077 5.077 0.085 1 0 "[ ]" 1
682 1 59 PRO HB2 1 60 ALA H 3.480 2.436 4.524 2.718 2.718 2.718 . 0 0 "[ ]" 1
683 1 59 PRO HB3 1 60 ALA H 3.120 2.120 4.120 3.909 3.909 3.909 . 0 0 "[ ]" 1
684 1 59 PRO HD2 1 60 ALA H 3.720 2.604 4.836 3.118 3.118 3.118 . 0 0 "[ ]" 1
685 1 59 PRO HG3 1 60 ALA H 3.000 . 4.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
686 1 60 ALA H 1 60 ALA MB 2.880 . 3.880 2.159 2.159 2.159 . 0 0 "[ ]" 1
687 1 60 ALA H 1 61 PHE H 3.480 2.436 4.524 2.978 2.978 2.978 . 0 0 "[ ]" 1
688 1 60 ALA H 1 62 ASP H 3.840 2.688 4.992 4.479 4.479 4.479 . 0 0 "[ ]" 1
689 1 60 ALA HA 1 60 ALA MB 2.400 . 3.400 2.155 2.155 2.155 . 0 0 "[ ]" 1
690 1 60 ALA HA 1 61 PHE H 3.960 2.772 5.148 3.530 3.530 3.530 . 0 0 "[ ]" 1
691 1 60 ALA HA 1 62 ASP H 3.360 2.352 4.368 4.187 4.187 4.187 . 0 0 "[ ]" 1
692 1 60 ALA HA 1 63 LYS H 3.600 2.520 4.680 3.102 3.102 3.102 . 0 0 "[ ]" 1
693 1 60 ALA MB 1 61 PHE H 3.360 2.352 4.368 2.669 2.669 2.669 . 0 0 "[ ]" 1
694 1 60 ALA MB 1 79 THR MG 3.120 2.120 4.120 4.151 4.151 4.151 0.031 1 0 "[ ]" 1
695 1 60 ALA MB 1 84 HIS HE1 3.120 2.120 4.120 4.069 4.069 4.069 . 0 0 "[ ]" 1
696 1 61 PHE H 1 61 PHE HA 3.240 2.240 4.240 2.854 2.854 2.854 . 0 0 "[ ]" 1
697 1 61 PHE H 1 61 PHE HB2 3.000 . 4.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
698 1 61 PHE H 1 61 PHE HB3 3.000 . 4.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
699 1 61 PHE H 1 61 PHE QD 3.960 2.772 5.148 4.100 4.100 4.100 . 0 0 "[ ]" 1
700 1 61 PHE H 1 62 ASP H 2.880 . 3.880 2.729 2.729 2.729 . 0 0 "[ ]" 1
701 1 61 PHE H 1 62 ASP HB2 3.840 2.688 4.992 5.037 5.037 5.037 0.045 1 0 "[ ]" 1
702 1 61 PHE HA 1 61 PHE HB2 3.120 2.120 4.120 2.414 2.414 2.414 . 0 0 "[ ]" 1
703 1 61 PHE HA 1 61 PHE HB3 2.880 . 3.880 3.030 3.030 3.030 . 0 0 "[ ]" 1
704 1 61 PHE HA 1 62 ASP H 3.840 2.688 4.992 3.565 3.565 3.565 . 0 0 "[ ]" 1
705 1 61 PHE HB2 1 62 ASP H 3.000 . 4.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
706 1 61 PHE QD 1 62 ASP H 3.960 2.772 5.148 2.981 2.981 2.981 . 0 0 "[ ]" 1
707 1 61 PHE QE 1 65 VAL MG1 2.760 . 3.760 3.215 3.215 3.215 . 0 0 "[ ]" 1
708 1 61 PHE QE 1 86 ILE MD 3.480 2.436 4.524 4.131 4.131 4.131 . 0 0 "[ ]" 1
709 1 62 ASP H 1 62 ASP HB2 3.000 . 4.000 2.449 2.449 2.449 . 0 0 "[ ]" 1
710 1 62 ASP H 1 62 ASP HB3 3.000 . 4.000 2.411 2.411 2.411 . 0 0 "[ ]" 1
711 1 62 ASP H 1 64 VAL MG1 3.960 2.772 5.148 4.130 4.130 4.130 . 0 0 "[ ]" 1
712 1 62 ASP HA 1 62 ASP HB2 2.640 . 3.640 2.475 2.475 2.475 . 0 0 "[ ]" 1
713 1 62 ASP HA 1 62 ASP HB3 2.760 . 3.760 3.038 3.038 3.038 . 0 0 "[ ]" 1
714 1 62 ASP HA 1 63 LYS H 3.360 2.352 4.368 3.571 3.571 3.571 . 0 0 "[ ]" 1
715 1 62 ASP HA 1 65 VAL MG1 3.120 2.120 4.120 2.180 2.180 2.180 . 0 0 "[ ]" 1
716 1 62 ASP HA 1 66 PHE H 3.120 2.120 4.120 3.981 3.981 3.981 . 0 0 "[ ]" 1
717 1 62 ASP HA 1 66 PHE HB2 3.360 2.352 4.368 4.431 4.431 4.431 0.063 1 0 "[ ]" 1
718 1 62 ASP HB2 1 63 LYS H 2.880 . 3.880 3.840 3.840 3.840 . 0 0 "[ ]" 1
719 1 62 ASP HB3 1 63 LYS H 3.240 2.240 4.240 2.509 2.509 2.509 . 0 0 "[ ]" 1
720 1 63 LYS H 1 63 LYS HA 2.880 . 3.880 2.847 2.847 2.847 . 0 0 "[ ]" 1
721 1 63 LYS H 1 63 LYS HB3 2.640 . 3.640 3.540 3.540 3.540 . 0 0 "[ ]" 1
722 1 63 LYS H 1 64 VAL H 3.120 2.120 4.120 2.885 2.885 2.885 . 0 0 "[ ]" 1
723 1 63 LYS HA 1 64 VAL H 3.480 2.436 4.524 3.599 3.599 3.599 . 0 0 "[ ]" 1
724 1 63 LYS HA 1 66 PHE H 4.080 2.856 5.304 3.759 3.759 3.759 . 0 0 "[ ]" 1
725 1 64 VAL H 1 64 VAL HA 3.240 2.240 4.240 2.891 2.891 2.891 . 0 0 "[ ]" 1
726 1 64 VAL H 1 64 VAL HB 2.640 . 3.640 2.571 2.571 2.571 . 0 0 "[ ]" 1
727 1 64 VAL H 1 64 VAL MG1 2.880 . 3.880 1.809 1.809 1.809 0.071 1 0 "[ ]" 1
728 1 64 VAL H 1 64 VAL MG2 3.840 2.688 4.992 3.732 3.732 3.732 . 0 0 "[ ]" 1
729 1 64 VAL H 1 65 VAL H 3.120 2.120 4.120 2.731 2.731 2.731 . 0 0 "[ ]" 1
730 1 64 VAL H 1 66 PHE H 3.960 2.772 5.148 3.840 3.840 3.840 . 0 0 "[ ]" 1
731 1 64 VAL H 1 67 SER H 4.080 2.856 5.304 4.495 4.495 4.495 . 0 0 "[ ]" 1
732 1 64 VAL H 1 67 SER HB2 4.080 2.856 5.304 4.255 4.255 4.255 . 0 0 "[ ]" 1
733 1 64 VAL HA 1 64 VAL HB 3.120 2.120 4.120 2.449 2.449 2.449 . 0 0 "[ ]" 1
734 1 64 VAL HA 1 64 VAL MG1 2.640 . 3.640 3.209 3.209 3.209 . 0 0 "[ ]" 1
735 1 64 VAL HA 1 64 VAL MG2 2.760 . 3.760 2.301 2.301 2.301 . 0 0 "[ ]" 1
736 1 64 VAL HA 1 65 VAL H 3.480 2.436 4.524 3.597 3.597 3.597 . 0 0 "[ ]" 1
737 1 64 VAL HA 1 67 SER H 3.720 2.604 4.836 2.868 2.868 2.868 . 0 0 "[ ]" 1
738 1 64 VAL HA 1 67 SER HA 3.240 2.240 4.240 4.297 4.297 4.297 0.057 1 0 "[ ]" 1
739 1 64 VAL HA 1 68 CYS H 3.960 2.772 5.148 3.301 3.301 3.301 . 0 0 "[ ]" 1
740 1 64 VAL HB 1 68 CYS H 3.960 2.772 5.148 5.200 5.200 5.200 0.052 1 0 "[ ]" 1
741 1 64 VAL HB 1 86 ILE MD 2.520 . 3.520 3.438 3.438 3.438 . 0 0 "[ ]" 1
742 1 65 VAL H 1 65 VAL HA 3.240 2.240 4.240 2.840 2.840 2.840 . 0 0 "[ ]" 1
743 1 65 VAL H 1 65 VAL MG1 2.760 . 3.760 2.983 2.983 2.983 . 0 0 "[ ]" 1
744 1 65 VAL H 1 65 VAL MG2 3.360 2.352 4.368 3.411 3.411 3.411 . 0 0 "[ ]" 1
745 1 65 VAL H 1 66 PHE H 3.240 2.240 4.240 2.689 2.689 2.689 . 0 0 "[ ]" 1
746 1 65 VAL H 1 67 SER H 3.960 2.772 5.148 3.754 3.754 3.754 . 0 0 "[ ]" 1
747 1 65 VAL HA 1 65 VAL MG1 2.640 . 3.640 3.068 3.068 3.068 . 0 0 "[ ]" 1
748 1 65 VAL HA 1 65 VAL MG2 2.880 . 3.880 2.116 2.116 2.116 . 0 0 "[ ]" 1
749 1 65 VAL HA 1 66 PHE H 3.720 2.604 4.836 3.510 3.510 3.510 . 0 0 "[ ]" 1
750 1 65 VAL HA 1 88 VAL MG1 2.640 . 3.640 3.292 3.292 3.292 . 0 0 "[ ]" 1
751 1 65 VAL HA 1 88 VAL MG2 2.640 . 3.640 3.152 3.152 3.152 . 0 0 "[ ]" 1
752 1 65 VAL HB 1 66 PHE H 3.240 2.240 4.240 3.481 3.481 3.481 . 0 0 "[ ]" 1
753 1 65 VAL MG1 1 66 PHE H 3.360 2.352 4.368 2.332 2.332 2.332 0.020 1 0 "[ ]" 1
754 1 65 VAL MG2 1 66 PHE H 3.720 2.604 4.836 4.197 4.197 4.197 . 0 0 "[ ]" 1
755 1 65 VAL MG2 1 70 VAL H 3.720 2.604 4.836 4.882 4.882 4.882 0.046 1 0 "[ ]" 1
756 1 66 PHE H 1 66 PHE HA 3.360 2.352 4.368 2.982 2.982 2.982 . 0 0 "[ ]" 1
757 1 66 PHE H 1 66 PHE HB2 2.880 . 3.880 2.166 2.166 2.166 . 0 0 "[ ]" 1
758 1 66 PHE H 1 66 PHE HB3 3.120 2.120 4.120 3.489 3.489 3.489 . 0 0 "[ ]" 1
759 1 66 PHE H 1 66 PHE QD 3.720 2.604 4.836 3.564 3.564 3.564 . 0 0 "[ ]" 1
760 1 66 PHE HA 1 66 PHE HB3 3.120 2.120 4.120 2.651 2.651 2.651 . 0 0 "[ ]" 1
761 1 66 PHE HA 1 67 SER H 3.480 2.436 4.524 3.276 3.276 3.276 . 0 0 "[ ]" 1
762 1 66 PHE HB2 1 67 SER H 3.840 2.688 4.992 3.559 3.559 3.559 . 0 0 "[ ]" 1
763 1 67 SER H 1 67 SER HA 3.360 2.352 4.368 2.972 2.972 2.972 . 0 0 "[ ]" 1
764 1 67 SER H 1 67 SER HB2 3.600 2.520 4.680 2.634 2.634 2.634 . 0 0 "[ ]" 1
765 1 67 SER H 1 68 CYS H 2.760 . 3.760 2.668 2.668 2.668 . 0 0 "[ ]" 1
766 1 67 SER HA 1 67 SER HB2 2.640 . 3.640 2.528 2.528 2.528 . 0 0 "[ ]" 1
767 1 67 SER HA 1 67 SER HB3 2.640 . 3.640 3.034 3.034 3.034 . 0 0 "[ ]" 1
768 1 67 SER HA 1 68 CYS H 3.840 2.688 4.992 3.575 3.575 3.575 . 0 0 "[ ]" 1
769 1 67 SER HB2 1 68 CYS H 3.600 2.520 4.680 3.420 3.420 3.420 . 0 0 "[ ]" 1
770 1 68 CYS H 1 68 CYS HA 3.240 2.240 4.240 3.001 3.001 3.001 . 0 0 "[ ]" 1
771 1 68 CYS H 1 68 CYS HB2 3.240 2.240 4.240 2.447 2.447 2.447 . 0 0 "[ ]" 1
772 1 68 CYS H 1 68 CYS HB3 3.120 2.120 4.120 3.665 3.665 3.665 . 0 0 "[ ]" 1
773 1 68 CYS H 1 74 THR MG 2.880 . 3.880 3.434 3.434 3.434 . 0 0 "[ ]" 1
774 1 68 CYS HA 1 68 CYS HB2 2.640 . 3.640 3.038 3.038 3.038 . 0 0 "[ ]" 1
775 1 68 CYS HA 1 68 CYS HB3 2.880 . 3.880 2.484 2.484 2.484 . 0 0 "[ ]" 1
776 1 68 CYS HA 1 69 PRO HD3 2.520 . 3.520 2.185 2.185 2.185 . 0 0 "[ ]" 1
777 1 68 CYS HB2 1 88 VAL MG2 3.120 2.120 4.120 4.133 4.133 4.133 0.013 1 0 "[ ]" 1
778 1 68 CYS HB3 1 69 PRO HD3 3.360 2.352 4.368 3.854 3.854 3.854 . 0 0 "[ ]" 1
779 1 69 PRO HA 1 70 VAL H 2.520 . 3.520 2.423 2.423 2.423 . 0 0 "[ ]" 1
780 1 69 PRO HA 1 70 VAL MG1 3.000 . 4.000 4.022 4.022 4.022 0.022 1 0 "[ ]" 1
781 1 69 PRO HB2 1 70 VAL H 3.480 2.436 4.524 2.766 2.766 2.766 . 0 0 "[ ]" 1
782 1 70 VAL H 1 70 VAL MG1 2.760 . 3.760 2.136 2.136 2.136 . 0 0 "[ ]" 1
783 1 70 VAL H 1 71 LEU MD1 3.120 2.120 4.120 3.963 3.963 3.963 . 0 0 "[ ]" 1
784 1 70 VAL HA 1 70 VAL HB 2.880 . 3.880 2.459 2.459 2.459 . 0 0 "[ ]" 1
785 1 70 VAL HA 1 70 VAL MG1 2.880 . 3.880 3.180 3.180 3.180 . 0 0 "[ ]" 1
786 1 70 VAL HA 1 70 VAL MG2 2.880 . 3.880 2.402 2.402 2.402 . 0 0 "[ ]" 1
787 1 70 VAL HA 1 71 LEU H 2.520 . 3.520 2.488 2.488 2.488 . 0 0 "[ ]" 1
788 1 70 VAL HA 1 72 GLU H 3.600 2.520 4.680 3.309 3.309 3.309 . 0 0 "[ ]" 1
789 1 70 VAL HA 1 88 VAL HB 2.640 . 3.640 1.925 1.925 1.925 . 0 0 "[ ]" 1
790 1 70 VAL HB 1 71 LEU H 3.480 2.436 4.524 3.842 3.842 3.842 . 0 0 "[ ]" 1
791 1 70 VAL MG1 1 71 LEU H 3.120 2.120 4.120 3.463 3.463 3.463 . 0 0 "[ ]" 1
792 1 71 LEU H 1 71 LEU HA 2.640 . 3.640 2.362 2.362 2.362 . 0 0 "[ ]" 1
793 1 71 LEU H 1 71 LEU MD1 3.600 2.520 4.680 2.932 2.932 2.932 . 0 0 "[ ]" 1
794 1 71 LEU H 1 71 LEU HG 3.480 2.436 4.524 2.984 2.984 2.984 . 0 0 "[ ]" 1
795 1 71 LEU H 1 72 GLU H 3.240 2.240 4.240 2.630 2.630 2.630 . 0 0 "[ ]" 1
796 1 71 LEU H 1 88 VAL H 3.720 2.604 4.836 4.200 4.200 4.200 . 0 0 "[ ]" 1
797 1 71 LEU H 1 88 VAL HB 3.120 2.120 4.120 3.181 3.181 3.181 . 0 0 "[ ]" 1
798 1 71 LEU H 1 89 LEU HA 3.960 2.772 5.148 2.740 2.740 2.740 0.032 1 0 "[ ]" 1
799 1 71 LEU HA 1 71 LEU HB3 3.120 2.120 4.120 2.539 2.539 2.539 . 0 0 "[ ]" 1
800 1 71 LEU HA 1 71 LEU MD1 2.520 . 3.520 3.415 3.415 3.415 . 0 0 "[ ]" 1
801 1 71 LEU HA 1 71 LEU MD2 3.120 2.120 4.120 3.352 3.352 3.352 . 0 0 "[ ]" 1
802 1 71 LEU HA 1 72 GLU H 3.600 2.520 4.680 2.936 2.936 2.936 . 0 0 "[ ]" 1
803 1 71 LEU HB2 1 71 LEU MD1 2.880 . 3.880 1.974 1.974 1.974 . 0 0 "[ ]" 1
804 1 71 LEU HB2 1 71 LEU MD2 2.640 . 3.640 2.725 2.725 2.725 . 0 0 "[ ]" 1
805 1 71 LEU HB3 1 71 LEU MD1 3.120 2.120 4.120 3.065 3.065 3.065 . 0 0 "[ ]" 1
806 1 71 LEU MD1 1 71 LEU HG 2.400 . 3.400 2.113 2.113 2.113 . 0 0 "[ ]" 1
807 1 71 LEU MD1 1 89 LEU HA 2.760 . 3.760 3.348 3.348 3.348 . 0 0 "[ ]" 1
808 1 72 GLU H 1 72 GLU HB2 3.120 2.120 4.120 3.079 3.079 3.079 . 0 0 "[ ]" 1
809 1 72 GLU H 1 72 GLU HB3 3.000 . 4.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
810 1 72 GLU H 1 73 PRO HD3 3.840 2.688 4.992 3.468 3.468 3.468 . 0 0 "[ ]" 1
811 1 72 GLU H 1 88 VAL H 3.720 2.604 4.836 3.408 3.408 3.408 . 0 0 "[ ]" 1
812 1 72 GLU H 1 88 VAL MG1 3.960 2.772 5.148 4.406 4.406 4.406 . 0 0 "[ ]" 1
813 1 72 GLU HA 1 73 PRO HD2 2.400 . 3.400 1.857 1.857 1.857 . 0 0 "[ ]" 1
814 1 72 GLU HA 1 73 PRO HD3 2.520 . 3.520 2.767 2.767 2.767 . 0 0 "[ ]" 1
815 1 73 PRO HA 1 73 PRO HB2 2.520 . 3.520 2.833 2.833 2.833 . 0 0 "[ ]" 1
816 1 73 PRO HA 1 73 PRO HG3 3.240 2.240 4.240 3.864 3.864 3.864 . 0 0 "[ ]" 1
817 1 73 PRO HA 1 87 LYS H 3.720 2.604 4.836 4.843 4.843 4.843 0.007 1 0 "[ ]" 1
818 1 73 PRO HA 1 87 LYS HA 2.880 . 3.880 2.057 2.057 2.057 . 0 0 "[ ]" 1
819 1 73 PRO HD3 1 73 PRO HG3 2.760 . 3.760 2.298 2.298 2.298 . 0 0 "[ ]" 1
820 1 74 THR H 1 74 THR HA 3.240 2.240 4.240 2.991 2.991 2.991 . 0 0 "[ ]" 1
821 1 74 THR H 1 74 THR HB 3.000 . 4.000 2.584 2.584 2.584 . 0 0 "[ ]" 1
822 1 74 THR H 1 74 THR HG1 3.720 2.604 4.836 3.100 3.100 3.100 . 0 0 "[ ]" 1
823 1 74 THR H 1 74 THR MG 3.600 2.520 4.680 3.807 3.807 3.807 . 0 0 "[ ]" 1
824 1 74 THR H 1 86 ILE H 3.480 2.436 4.524 3.430 3.430 3.430 . 0 0 "[ ]" 1
825 1 74 THR H 1 86 ILE HB 3.960 2.772 5.148 3.984 3.984 3.984 . 0 0 "[ ]" 1
826 1 74 THR H 1 87 LYS HA 4.080 2.856 5.304 3.302 3.302 3.302 . 0 0 "[ ]" 1
827 1 74 THR HA 1 74 THR HB 2.640 . 3.640 3.031 3.031 3.031 . 0 0 "[ ]" 1
828 1 74 THR HA 1 74 THR MG 2.640 . 3.640 2.392 2.392 2.392 . 0 0 "[ ]" 1
829 1 74 THR HA 1 75 GLY H 2.640 . 3.640 2.270 2.270 2.270 . 0 0 "[ ]" 1
830 1 74 THR HB 1 75 GLY H 3.600 2.520 4.680 4.149 4.149 4.149 . 0 0 "[ ]" 1
831 1 74 THR HB 1 86 ILE H 3.720 2.604 4.836 4.179 4.179 4.179 . 0 0 "[ ]" 1
832 1 74 THR MG 1 75 GLY H 3.240 2.240 4.240 2.296 2.296 2.296 . 0 0 "[ ]" 1
833 1 74 THR MG 1 75 GLY HA2 3.000 . 4.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
834 1 75 GLY H 1 75 GLY HA2 2.880 . 3.880 2.612 2.612 2.612 . 0 0 "[ ]" 1
835 1 75 GLY H 1 75 GLY HA3 3.360 2.352 4.368 2.981 2.981 2.981 . 0 0 "[ ]" 1
836 1 75 GLY HA2 1 76 PRO HA 3.000 . 4.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
837 1 75 GLY HA2 1 77 LEU H 3.360 2.352 4.368 2.777 2.777 2.777 . 0 0 "[ ]" 1
838 1 75 GLY HA2 1 85 ILE MD 3.240 2.240 4.240 4.117 4.117 4.117 . 0 0 "[ ]" 1
839 1 75 GLY HA3 1 76 PRO HA 2.880 . 3.880 2.071 2.071 2.071 . 0 0 "[ ]" 1
840 1 75 GLY HA3 1 85 ILE MD 3.120 2.120 4.120 3.064 3.064 3.064 . 0 0 "[ ]" 1
841 1 76 PRO HA 1 77 LEU H 2.640 . 3.640 2.240 2.240 2.240 . 0 0 "[ ]" 1
842 1 76 PRO HA 1 85 ILE MD 3.120 2.120 4.120 2.774 2.774 2.774 . 0 0 "[ ]" 1
843 1 76 PRO HB2 1 77 LEU H 3.720 2.604 4.836 3.426 3.426 3.426 . 0 0 "[ ]" 1
844 1 76 PRO HB2 1 84 HIS H 4.080 2.856 5.304 4.271 4.271 4.271 . 0 0 "[ ]" 1
845 1 76 PRO HB2 1 85 ILE MD 3.240 2.240 4.240 3.993 3.993 3.993 . 0 0 "[ ]" 1
846 1 76 PRO HB3 1 76 PRO HG2 2.880 . 3.880 2.977 2.977 2.977 . 0 0 "[ ]" 1
847 1 76 PRO HB3 1 77 LEU H 3.960 2.772 5.148 3.968 3.968 3.968 . 0 0 "[ ]" 1
848 1 76 PRO HB3 1 85 ILE HB 2.760 . 3.760 2.604 2.604 2.604 . 0 0 "[ ]" 1
849 1 76 PRO HB3 1 85 ILE MD 3.120 2.120 4.120 2.662 2.662 2.662 . 0 0 "[ ]" 1
850 1 76 PRO HD2 1 76 PRO HG3 3.000 . 4.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
851 1 76 PRO HD2 1 85 ILE MD 2.760 . 3.760 3.450 3.450 3.450 . 0 0 "[ ]" 1
852 1 76 PRO HD3 1 76 PRO HG2 2.880 . 3.880 2.959 2.959 2.959 . 0 0 "[ ]" 1
853 1 76 PRO HD3 1 76 PRO HG3 3.000 . 4.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
854 1 76 PRO HD3 1 85 ILE MD 2.640 . 3.640 2.075 2.075 2.075 . 0 0 "[ ]" 1
855 1 76 PRO HG3 1 85 ILE MD 2.880 . 3.880 3.311 3.311 3.311 . 0 0 "[ ]" 1
856 1 77 LEU H 1 77 LEU HA 2.640 . 3.640 2.979 2.979 2.979 . 0 0 "[ ]" 1
857 1 77 LEU H 1 77 LEU HB2 3.120 2.120 4.120 2.745 2.745 2.745 . 0 0 "[ ]" 1
858 1 77 LEU H 1 77 LEU HB3 3.360 2.352 4.368 2.388 2.388 2.388 . 0 0 "[ ]" 1
859 1 77 LEU H 1 83 TYR HA 3.840 2.688 4.992 4.555 4.555 4.555 . 0 0 "[ ]" 1
860 1 77 LEU H 1 84 HIS H 3.480 2.436 4.524 3.086 3.086 3.086 . 0 0 "[ ]" 1
861 1 77 LEU H 1 84 HIS HB2 3.960 2.772 5.148 3.675 3.675 3.675 . 0 0 "[ ]" 1
862 1 77 LEU H 1 85 ILE MD 3.840 2.688 4.992 4.720 4.720 4.720 . 0 0 "[ ]" 1
863 1 77 LEU HA 1 78 HIS H 2.640 . 3.640 2.396 2.396 2.396 . 0 0 "[ ]" 1
864 1 77 LEU HA 1 84 HIS H 3.840 2.688 4.992 4.764 4.764 4.764 . 0 0 "[ ]" 1
865 1 77 LEU HB2 1 84 HIS H 3.840 2.688 4.992 4.951 4.951 4.951 . 0 0 "[ ]" 1
866 1 77 LEU HB3 1 77 LEU HG 3.120 2.120 4.120 2.509 2.509 2.509 . 0 0 "[ ]" 1
867 1 77 LEU HB3 1 84 HIS H 3.840 2.688 4.992 3.489 3.489 3.489 . 0 0 "[ ]" 1
868 1 77 LEU HB3 1 84 HIS HB2 3.240 2.240 4.240 2.962 2.962 2.962 . 0 0 "[ ]" 1
869 1 77 LEU HB3 1 84 HIS HB3 3.360 2.352 4.368 4.171 4.171 4.171 . 0 0 "[ ]" 1
870 1 77 LEU MD1 1 77 LEU MD2 2.640 . 3.640 1.997 1.997 1.997 . 0 0 "[ ]" 1
871 1 77 LEU MD2 1 77 LEU HG 3.120 2.120 4.120 2.134 2.134 2.134 . 0 0 "[ ]" 1
872 1 77 LEU MD2 1 78 HIS H 2.880 . 3.880 3.751 3.751 3.751 . 0 0 "[ ]" 1
873 1 78 HIS H 1 78 HIS HA 3.600 2.520 4.680 2.908 2.908 2.908 . 0 0 "[ ]" 1
874 1 78 HIS H 1 78 HIS HB2 3.120 2.120 4.120 2.248 2.248 2.248 . 0 0 "[ ]" 1
875 1 78 HIS H 1 78 HIS HB3 3.240 2.240 4.240 3.518 3.518 3.518 . 0 0 "[ ]" 1
876 1 78 HIS H 1 78 HIS HD2 4.200 2.940 5.460 4.605 4.605 4.605 . 0 0 "[ ]" 1
877 1 78 HIS HA 1 78 HIS HD2 2.880 . 3.880 2.827 2.827 2.827 . 0 0 "[ ]" 1
878 1 78 HIS HA 1 79 THR H 2.640 . 3.640 2.210 2.210 2.210 . 0 0 "[ ]" 1
879 1 78 HIS HA 1 84 HIS H 4.200 2.940 5.460 4.131 4.131 4.131 . 0 0 "[ ]" 1
880 1 78 HIS HD2 1 79 THR H 3.240 2.240 4.240 4.257 4.257 4.257 0.017 1 0 "[ ]" 1
881 1 79 THR H 1 79 THR HA 3.360 2.352 4.368 2.956 2.956 2.956 . 0 0 "[ ]" 1
882 1 79 THR H 1 79 THR HB 3.960 2.772 5.148 3.157 3.157 3.157 . 0 0 "[ ]" 1
883 1 79 THR H 1 79 THR MG 3.360 2.352 4.368 2.333 2.333 2.333 0.019 1 0 "[ ]" 1
884 1 79 THR H 1 80 GLN H 3.480 2.436 4.524 4.399 4.399 4.399 . 0 0 "[ ]" 1
885 1 79 THR H 1 82 GLY H 3.360 2.352 4.368 3.608 3.608 3.608 . 0 0 "[ ]" 1
886 1 79 THR H 1 83 TYR HA 3.120 2.120 4.120 3.015 3.015 3.015 . 0 0 "[ ]" 1
887 1 79 THR HA 1 79 THR HB 3.480 2.436 4.524 2.572 2.572 2.572 . 0 0 "[ ]" 1
888 1 79 THR HA 1 79 THR MG 2.760 . 3.760 3.182 3.182 3.182 . 0 0 "[ ]" 1
889 1 79 THR HA 1 80 GLN H 2.760 . 3.760 2.385 2.385 2.385 . 0 0 "[ ]" 1
890 1 79 THR HB 1 79 THR MG 2.400 . 3.400 2.117 2.117 2.117 . 0 0 "[ ]" 1
891 1 79 THR HB 1 80 GLN H 3.480 2.436 4.524 4.124 4.124 4.124 . 0 0 "[ ]" 1
892 1 79 THR HB 1 81 PHE H 3.720 2.604 4.836 4.558 4.558 4.558 . 0 0 "[ ]" 1
893 1 79 THR MG 1 81 PHE H 3.120 2.120 4.120 2.125 2.125 2.125 . 0 0 "[ ]" 1
894 1 79 THR MG 1 81 PHE QD 2.880 . 3.880 3.045 3.045 3.045 . 0 0 "[ ]" 1
895 1 79 THR MG 1 84 HIS HD2 3.120 2.120 4.120 3.193 3.193 3.193 . 0 0 "[ ]" 1
896 1 80 GLN H 1 80 GLN HA 3.480 2.436 4.524 2.827 2.827 2.827 . 0 0 "[ ]" 1
897 1 80 GLN H 1 80 GLN HB3 3.360 2.352 4.368 3.531 3.531 3.531 . 0 0 "[ ]" 1
898 1 80 GLN H 1 81 PHE H 3.720 2.604 4.836 2.783 2.783 2.783 . 0 0 "[ ]" 1
899 1 80 GLN HA 1 81 PHE H 3.960 2.772 5.148 3.535 3.535 3.535 . 0 0 "[ ]" 1
900 1 80 GLN HA 1 82 GLY H 3.960 2.772 5.148 3.878 3.878 3.878 . 0 0 "[ ]" 1
901 1 80 GLN HB3 1 81 PHE H 4.080 2.856 5.304 3.728 3.728 3.728 . 0 0 "[ ]" 1
902 1 81 PHE H 1 81 PHE HA 3.360 2.352 4.368 2.916 2.916 2.916 . 0 0 "[ ]" 1
903 1 81 PHE H 1 81 PHE HB2 3.240 2.240 4.240 2.245 2.245 2.245 . 0 0 "[ ]" 1
904 1 81 PHE H 1 81 PHE HB3 3.240 2.240 4.240 3.518 3.518 3.518 . 0 0 "[ ]" 1
905 1 81 PHE H 1 82 GLY H 2.880 . 3.880 2.548 2.548 2.548 . 0 0 "[ ]" 1
906 1 81 PHE HA 1 81 PHE HB2 2.880 . 3.880 3.029 3.029 3.029 . 0 0 "[ ]" 1
907 1 81 PHE HA 1 81 PHE HB3 3.120 2.120 4.120 2.549 2.549 2.549 . 0 0 "[ ]" 1
908 1 81 PHE HA 1 81 PHE QD 3.000 . 4.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
909 1 81 PHE HA 1 82 GLY H 3.480 2.436 4.524 3.413 3.413 3.413 . 0 0 "[ ]" 1
910 1 81 PHE HB2 1 81 PHE QD 3.240 2.240 4.240 2.414 2.414 2.414 . 0 0 "[ ]" 1
911 1 81 PHE HB2 1 82 GLY H 3.960 2.772 5.148 3.264 3.264 3.264 . 0 0 "[ ]" 1
912 1 81 PHE HB3 1 82 GLY H 3.480 2.436 4.524 4.065 4.065 4.065 . 0 0 "[ ]" 1
913 1 82 GLY H 1 82 GLY HA2 3.000 . 4.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
914 1 82 GLY H 1 83 TYR H 3.840 2.688 4.992 4.094 4.094 4.094 . 0 0 "[ ]" 1
915 1 82 GLY HA2 1 83 TYR H 3.240 2.240 4.240 3.286 3.286 3.286 . 0 0 "[ ]" 1
916 1 82 GLY HA3 1 83 TYR H 2.880 . 3.880 2.179 2.179 2.179 . 0 0 "[ ]" 1
917 1 83 TYR H 1 83 TYR HA 3.480 2.436 4.524 2.998 2.998 2.998 . 0 0 "[ ]" 1
918 1 83 TYR H 1 83 TYR HB2 3.360 2.352 4.368 2.543 2.543 2.543 . 0 0 "[ ]" 1
919 1 83 TYR H 1 83 TYR HB3 3.120 2.120 4.120 3.742 3.742 3.742 . 0 0 "[ ]" 1
920 1 83 TYR H 1 83 TYR QD 3.240 2.240 4.240 2.861 2.861 2.861 . 0 0 "[ ]" 1
921 1 83 TYR HA 1 83 TYR HB2 3.000 . 4.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
922 1 83 TYR HA 1 83 TYR HB3 3.240 2.240 4.240 2.542 2.542 2.542 . 0 0 "[ ]" 1
923 1 83 TYR HA 1 83 TYR QD 3.360 2.352 4.368 2.882 2.882 2.882 . 0 0 "[ ]" 1
924 1 83 TYR HA 1 84 HIS H 2.640 . 3.640 2.216 2.216 2.216 . 0 0 "[ ]" 1
925 1 83 TYR HB2 1 83 TYR QD 3.120 2.120 4.120 2.411 2.411 2.411 . 0 0 "[ ]" 1
926 1 83 TYR HB2 1 84 HIS H 3.840 2.688 4.992 4.304 4.304 4.304 . 0 0 "[ ]" 1
927 1 83 TYR HB3 1 83 TYR QD 3.120 2.120 4.120 2.413 2.413 2.413 . 0 0 "[ ]" 1
928 1 84 HIS H 1 84 HIS HA 3.840 2.688 4.992 2.990 2.990 2.990 . 0 0 "[ ]" 1
929 1 84 HIS H 1 84 HIS HB2 3.480 2.436 4.524 2.338 2.338 2.338 0.098 1 0 "[ ]" 1
930 1 84 HIS H 1 84 HIS HB3 3.480 2.436 4.524 3.608 3.608 3.608 . 0 0 "[ ]" 1
931 1 84 HIS H 1 84 HIS HD2 3.120 2.120 4.120 4.139 4.139 4.139 0.019 1 0 "[ ]" 1
932 1 84 HIS HA 1 84 HIS HB2 3.360 2.352 4.368 3.031 3.031 3.031 . 0 0 "[ ]" 1
933 1 84 HIS HA 1 84 HIS HB3 3.360 2.352 4.368 2.553 2.553 2.553 . 0 0 "[ ]" 1
934 1 84 HIS HA 1 85 ILE H 3.000 . 4.000 2.189 2.189 2.189 . 0 0 "[ ]" 1
935 1 84 HIS HB2 1 86 ILE MD 3.120 2.120 4.120 3.280 3.280 3.280 . 0 0 "[ ]" 1
936 1 84 HIS HB3 1 85 ILE H 3.840 2.688 4.992 3.489 3.489 3.489 . 0 0 "[ ]" 1
937 1 84 HIS HB3 1 85 ILE HA 3.360 2.352 4.368 4.457 4.457 4.457 0.089 1 0 "[ ]" 1
938 1 85 ILE H 1 85 ILE HA 3.720 2.604 4.836 2.998 2.998 2.998 . 0 0 "[ ]" 1
939 1 85 ILE H 1 85 ILE HB 3.360 2.352 4.368 2.700 2.700 2.700 . 0 0 "[ ]" 1
940 1 85 ILE H 1 85 ILE MD 3.840 2.688 4.992 4.386 4.386 4.386 . 0 0 "[ ]" 1
941 1 85 ILE HA 1 85 ILE HB 3.480 2.436 4.524 2.627 2.627 2.627 . 0 0 "[ ]" 1
942 1 85 ILE HA 1 85 ILE MD 3.120 2.120 4.120 3.451 3.451 3.451 . 0 0 "[ ]" 1
943 1 85 ILE HA 1 85 ILE MG 2.760 . 3.760 3.170 3.170 3.170 . 0 0 "[ ]" 1
944 1 85 ILE HA 1 86 ILE H 2.760 . 3.760 2.203 2.203 2.203 . 0 0 "[ ]" 1
945 1 85 ILE HB 1 85 ILE MD 3.120 2.120 4.120 2.116 2.116 2.116 0.004 1 0 "[ ]" 1
946 1 85 ILE MD 1 85 ILE MG 3.000 . 4.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
947 1 85 ILE MG 1 86 ILE H 3.000 . 4.000 3.705 3.705 3.705 . 0 0 "[ ]" 1
948 1 85 ILE MG 1 87 LYS H 3.840 2.688 4.992 4.730 4.730 4.730 . 0 0 "[ ]" 1
949 1 86 ILE H 1 86 ILE HA 3.600 2.520 4.680 3.002 3.002 3.002 . 0 0 "[ ]" 1
950 1 86 ILE H 1 86 ILE HB 3.120 2.120 4.120 2.443 2.443 2.443 . 0 0 "[ ]" 1
951 1 86 ILE H 1 86 ILE MD 3.240 2.240 4.240 3.543 3.543 3.543 . 0 0 "[ ]" 1
952 1 86 ILE H 1 86 ILE MG 3.960 2.772 5.148 3.776 3.776 3.776 . 0 0 "[ ]" 1
953 1 86 ILE HA 1 86 ILE HB 3.120 2.120 4.120 3.035 3.035 3.035 . 0 0 "[ ]" 1
954 1 86 ILE HA 1 86 ILE MG 3.120 2.120 4.120 2.326 2.326 2.326 . 0 0 "[ ]" 1
955 1 86 ILE HA 1 87 LYS H 2.760 . 3.760 2.211 2.211 2.211 . 0 0 "[ ]" 1
956 1 86 ILE HB 1 86 ILE MD 3.000 . 4.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
957 1 86 ILE HB 1 87 LYS H 3.960 2.772 5.148 4.211 4.211 4.211 . 0 0 "[ ]" 1
958 1 86 ILE MD 1 86 ILE MG 2.520 . 3.520 1.996 1.996 1.996 . 0 0 "[ ]" 1
959 1 86 ILE MG 1 87 LYS H 2.880 . 3.880 2.583 2.583 2.583 . 0 0 "[ ]" 1
960 1 86 ILE MG 1 88 VAL H 3.600 2.520 4.680 3.992 3.992 3.992 . 0 0 "[ ]" 1
961 1 87 LYS H 1 87 LYS HA 3.480 2.436 4.524 2.994 2.994 2.994 . 0 0 "[ ]" 1
962 1 87 LYS HA 1 88 VAL H 2.760 . 3.760 2.224 2.224 2.224 . 0 0 "[ ]" 1
963 1 87 LYS HA 1 88 VAL MG2 2.760 . 3.760 3.389 3.389 3.389 . 0 0 "[ ]" 1
964 1 87 LYS HD2 1 87 LYS HE2 2.880 . 3.880 2.970 2.970 2.970 . 0 0 "[ ]" 1
965 1 87 LYS HE2 1 87 LYS HG2 2.880 . 3.880 3.477 3.477 3.477 . 0 0 "[ ]" 1
966 1 88 VAL H 1 88 VAL HA 3.360 2.352 4.368 2.981 2.981 2.981 . 0 0 "[ ]" 1
967 1 88 VAL H 1 88 VAL HB 3.000 . 4.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
968 1 88 VAL H 1 88 VAL MG2 3.360 2.352 4.368 2.350 2.350 2.350 0.002 1 0 "[ ]" 1
969 1 88 VAL HA 1 88 VAL HB 3.360 2.352 4.368 3.033 3.033 3.033 . 0 0 "[ ]" 1
970 1 88 VAL HA 1 88 VAL MG1 2.880 . 3.880 2.238 2.238 2.238 . 0 0 "[ ]" 1
971 1 88 VAL HA 1 88 VAL MG2 2.760 . 3.760 2.339 2.339 2.339 . 0 0 "[ ]" 1
972 1 88 VAL HA 1 89 LEU H 2.640 . 3.640 2.221 2.221 2.221 . 0 0 "[ ]" 1
973 1 88 VAL HB 1 88 VAL MG1 3.000 . 4.000 2.140 2.140 2.140 . 0 0 "[ ]" 1
974 1 88 VAL HB 1 89 LEU H 3.960 2.772 5.148 4.158 4.158 4.158 . 0 0 "[ ]" 1
975 1 88 VAL MG1 1 89 LEU H 3.120 2.120 4.120 2.722 2.722 2.722 . 0 0 "[ ]" 1
976 1 88 VAL MG2 1 89 LEU H 3.600 2.520 4.680 4.157 4.157 4.157 . 0 0 "[ ]" 1
977 1 89 LEU H 1 89 LEU HA 3.600 2.520 4.680 2.971 2.971 2.971 . 0 0 "[ ]" 1
978 1 89 LEU H 1 89 LEU HB2 3.120 2.120 4.120 2.712 2.712 2.712 . 0 0 "[ ]" 1
979 1 89 LEU H 1 89 LEU HB3 3.120 2.120 4.120 3.802 3.802 3.802 . 0 0 "[ ]" 1
980 1 89 LEU H 1 89 LEU MD2 3.480 2.436 4.524 3.584 3.584 3.584 . 0 0 "[ ]" 1
981 1 89 LEU H 1 89 LEU HG 3.120 2.120 4.120 2.648 2.648 2.648 . 0 0 "[ ]" 1
982 1 89 LEU H 1 90 TYR H 3.000 . 4.000 4.271 4.271 4.271 0.271 1 0 "[ ]" 1
983 1 89 LEU HA 1 89 LEU HB2 3.000 . 4.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
984 1 89 LEU HA 1 89 LEU HB3 3.120 2.120 4.120 2.423 2.423 2.423 . 0 0 "[ ]" 1
985 1 89 LEU HA 1 89 LEU MD2 2.520 . 3.520 1.831 1.831 1.831 . 0 0 "[ ]" 1
986 1 89 LEU HA 1 89 LEU HG 3.360 2.352 4.368 3.148 3.148 3.148 . 0 0 "[ ]" 1
987 1 89 LEU HA 1 90 TYR H 3.600 2.520 4.680 2.685 2.685 2.685 . 0 0 "[ ]" 1
988 1 89 LEU HB2 1 89 LEU HG 3.000 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
989 1 89 LEU HB2 1 90 TYR H 3.240 2.240 4.240 2.911 2.911 2.911 . 0 0 "[ ]" 1
990 1 89 LEU MD2 1 90 TYR H 3.000 . 4.000 3.662 3.662 3.662 . 0 0 "[ ]" 1
991 1 90 TYR H 1 90 TYR HA 2.880 . 3.880 2.400 2.400 2.400 . 0 0 "[ ]" 1
992 1 90 TYR HA 1 90 TYR HB2 2.760 . 3.760 3.023 3.023 3.023 . 0 0 "[ ]" 1
993 1 90 TYR HA 1 90 TYR HB3 2.880 . 3.880 2.567 2.567 2.567 . 0 0 "[ ]" 1
994 1 90 TYR HA 1 90 TYR QD 3.120 2.120 4.120 3.041 3.041 3.041 . 0 0 "[ ]" 1
995 1 90 TYR HA 1 91 ARG H 2.640 . 3.640 3.545 3.545 3.545 . 0 0 "[ ]" 1
996 1 90 TYR HB2 1 91 ARG H 3.120 2.120 4.120 2.062 2.062 2.062 0.058 1 0 "[ ]" 1
997 1 90 TYR HB3 1 91 ARG H 3.480 2.436 4.524 2.432 2.432 2.432 0.004 1 0 "[ ]" 1
998 1 90 TYR QD 1 91 ARG H 3.600 2.520 4.680 4.075 4.075 4.075 . 0 0 "[ ]" 1
999 1 91 ARG H 1 92 ASN H 4.080 2.856 5.304 2.821 2.821 2.821 0.035 1 0 "[ ]" 1
1000 1 91 ARG HA 1 91 ARG HB3 2.640 . 3.640 3.026 3.026 3.026 . 0 0 "[ ]" 1
1001 1 91 ARG HA 1 92 ASN H 2.520 . 3.520 2.775 2.775 2.775 . 0 0 "[ ]" 1
1002 1 91 ARG HB2 1 92 ASN H 3.480 2.436 4.524 4.614 4.614 4.614 0.090 1 0 "[ ]" 1
1003 1 91 ARG HB3 1 92 ASN H 3.480 2.436 4.524 4.239 4.239 4.239 . 0 0 "[ ]" 1
1004 1 92 ASN H 1 92 ASN HA 2.880 . 3.880 2.790 2.790 2.790 . 0 0 "[ ]" 1
1005 1 92 ASN HA 1 92 ASN HD22 3.960 2.772 5.148 3.158 3.158 3.158 . 0 0 "[ ]" 1
stop_
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