NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441510 |
2kb4   |
16039 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kb4
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 961
_Distance_constraint_stats_list.Viol_count 1528
_Distance_constraint_stats_list.Viol_total 1752.742
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0382
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.128 0.128 3 0 "[ . 1 . 2 . 3]"
1 10 PRO 0.528 0.077 5 0 "[ . 1 . 2 . 3]"
1 11 GLN 1.043 0.096 24 0 "[ . 1 . 2 . 3]"
1 12 VAL 1.148 0.112 20 0 "[ . 1 . 2 . 3]"
1 13 GLU 0.449 0.053 25 0 "[ . 1 . 2 . 3]"
1 14 THR 0.141 0.053 6 0 "[ . 1 . 2 . 3]"
1 15 THR 1.026 0.120 10 0 "[ . 1 . 2 . 3]"
1 16 SER 1.656 0.250 29 0 "[ . 1 . 2 . 3]"
1 17 VAL 1.811 0.250 29 0 "[ . 1 . 2 . 3]"
1 18 PHE 0.886 0.133 25 0 "[ . 1 . 2 . 3]"
1 19 ARG 0.536 0.089 24 0 "[ . 1 . 2 . 3]"
1 20 ALA 0.098 0.076 10 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.645 0.083 4 0 "[ . 1 . 2 . 3]"
1 22 LEU 0.010 0.010 15 0 "[ . 1 . 2 . 3]"
1 23 LEU 0.010 0.010 15 0 "[ . 1 . 2 . 3]"
1 24 LYS 0.102 0.041 29 0 "[ . 1 . 2 . 3]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 THR 0.778 0.124 23 0 "[ . 1 . 2 . 3]"
1 33 ALA 0.778 0.124 23 0 "[ . 1 . 2 . 3]"
1 34 PRO 0.629 0.080 5 0 "[ . 1 . 2 . 3]"
1 35 ALA 0.505 0.080 5 0 "[ . 1 . 2 . 3]"
1 36 SER 0.187 0.054 16 0 "[ . 1 . 2 . 3]"
1 37 THR 0.063 0.045 23 0 "[ . 1 . 2 . 3]"
1 38 GLY 0.644 0.253 13 0 "[ . 1 . 2 . 3]"
1 39 ALA 0.970 0.253 13 0 "[ . 1 . 2 . 3]"
1 40 GLU 0.862 0.138 4 0 "[ . 1 . 2 . 3]"
1 41 ASN 0.760 0.135 25 0 "[ . 1 . 2 . 3]"
1 42 LEU 2.043 0.119 8 0 "[ . 1 . 2 . 3]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.268 0.065 30 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.577 0.105 30 0 "[ . 1 . 2 . 3]"
1 46 SER 1.214 0.105 30 0 "[ . 1 . 2 . 3]"
1 47 ALA 1.396 0.094 8 0 "[ . 1 . 2 . 3]"
1 48 LEU 0.450 0.087 17 0 "[ . 1 . 2 . 3]"
1 49 LEU 0.581 0.059 8 0 "[ . 1 . 2 . 3]"
1 50 VAL 0.789 0.067 25 0 "[ . 1 . 2 . 3]"
1 51 VAL 2.709 0.159 30 0 "[ . 1 . 2 . 3]"
1 52 LYS 0.327 0.061 14 0 "[ . 1 . 2 . 3]"
1 53 ARG 2.020 0.089 3 0 "[ . 1 . 2 . 3]"
1 54 GLY 0.385 0.074 13 0 "[ . 1 . 2 . 3]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 ASN 5.222 0.191 15 0 "[ . 1 . 2 . 3]"
1 57 ALA 0.150 0.059 6 0 "[ . 1 . 2 . 3]"
1 58 GLY 0.993 0.159 30 0 "[ . 1 . 2 . 3]"
1 59 ALA 1.129 0.123 23 0 "[ . 1 . 2 . 3]"
1 60 ARG 0.913 0.084 13 0 "[ . 1 . 2 . 3]"
1 61 PHE 0.346 0.059 8 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.226 0.058 18 0 "[ . 1 . 2 . 3]"
1 63 LEU 0.308 0.065 25 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.135 0.049 21 0 "[ . 1 . 2 . 3]"
1 65 GLN 0.342 0.059 1 0 "[ . 1 . 2 . 3]"
1 66 PRO 0.483 0.102 23 0 "[ . 1 . 2 . 3]"
1 67 THR 0.540 0.102 23 0 "[ . 1 . 2 . 3]"
1 68 THR 0.893 0.085 11 0 "[ . 1 . 2 . 3]"
1 69 THR 0.412 0.089 8 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.465 0.052 13 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.808 0.070 30 0 "[ . 1 . 2 . 3]"
1 72 ARG 0.565 0.163 12 0 "[ . 1 . 2 . 3]"
1 73 HIS 0.852 0.163 12 0 "[ . 1 . 2 . 3]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 GLU 1.233 0.129 6 0 "[ . 1 . 2 . 3]"
1 76 SER 1.244 0.129 6 0 "[ . 1 . 2 . 3]"
1 77 ASP 0.331 0.089 8 0 "[ . 1 . 2 . 3]"
1 78 ILE 0.884 0.073 28 0 "[ . 1 . 2 . 3]"
1 79 PHE 0.317 0.070 30 0 "[ . 1 . 2 . 3]"
1 80 LEU 5.049 0.255 1 0 "[ . 1 . 2 . 3]"
1 81 ASP 1.738 0.255 1 0 "[ . 1 . 2 . 3]"
1 82 ASP 3.589 0.191 15 0 "[ . 1 . 2 . 3]"
1 83 VAL 0.097 0.037 28 0 "[ . 1 . 2 . 3]"
1 84 THR 1.733 0.176 17 0 "[ . 1 . 2 . 3]"
1 85 VAL 0.529 0.080 11 0 "[ . 1 . 2 . 3]"
1 86 SER 0.335 0.045 12 0 "[ . 1 . 2 . 3]"
1 88 ARG 0.059 0.050 5 0 "[ . 1 . 2 . 3]"
1 89 HIS 0.722 0.061 24 0 "[ . 1 . 2 . 3]"
1 90 ALA 0.518 0.104 17 0 "[ . 1 . 2 . 3]"
1 91 GLU 1.023 0.104 6 0 "[ . 1 . 2 . 3]"
1 92 PHE 0.520 0.043 25 0 "[ . 1 . 2 . 3]"
1 93 ARG 0.701 0.067 2 0 "[ . 1 . 2 . 3]"
1 94 ILE 0.887 0.115 4 0 "[ . 1 . 2 . 3]"
1 95 ASN 2.139 0.128 17 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.593 0.161 12 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.640 0.161 12 0 "[ . 1 . 2 . 3]"
1 98 GLU 3.355 0.125 11 0 "[ . 1 . 2 . 3]"
1 99 PHE 0.619 0.066 17 0 "[ . 1 . 2 . 3]"
1 100 GLU 1.489 0.152 17 0 "[ . 1 . 2 . 3]"
1 101 VAL 1.714 0.152 17 0 "[ . 1 . 2 . 3]"
1 102 VAL 0.384 0.050 8 0 "[ . 1 . 2 . 3]"
1 103 ASP 1.334 0.171 24 0 "[ . 1 . 2 . 3]"
1 104 VAL 0.818 0.104 6 0 "[ . 1 . 2 . 3]"
1 105 GLY 0.119 0.104 17 0 "[ . 1 . 2 . 3]"
1 106 SER 0.035 0.035 18 0 "[ . 1 . 2 . 3]"
1 107 LEU 1.262 0.093 8 0 "[ . 1 . 2 . 3]"
1 108 ASN 1.011 0.176 17 0 "[ . 1 . 2 . 3]"
1 109 GLY 1.037 0.093 8 0 "[ . 1 . 2 . 3]"
1 110 THR 1.267 0.171 24 0 "[ . 1 . 2 . 3]"
1 111 TYR 0.759 0.073 22 0 "[ . 1 . 2 . 3]"
1 112 VAL 0.956 0.111 28 0 "[ . 1 . 2 . 3]"
1 113 ASN 0.897 0.129 30 0 "[ . 1 . 2 . 3]"
1 114 ARG 0.752 0.111 28 0 "[ . 1 . 2 . 3]"
1 115 GLU 0.846 0.129 30 0 "[ . 1 . 2 . 3]"
1 116 PRO 0.046 0.034 6 0 "[ . 1 . 2 . 3]"
1 117 ARG 0.309 0.084 7 0 "[ . 1 . 2 . 3]"
1 118 ASN 0.284 0.065 8 0 "[ . 1 . 2 . 3]"
1 119 ALA 0.484 0.065 8 0 "[ . 1 . 2 . 3]"
1 120 GLN 1.457 0.178 14 0 "[ . 1 . 2 . 3]"
1 121 VAL 1.343 0.178 14 0 "[ . 1 . 2 . 3]"
1 122 MET 0.314 0.058 20 0 "[ . 1 . 2 . 3]"
1 123 GLN 0.510 0.155 27 0 "[ . 1 . 2 . 3]"
1 124 THR 0.172 0.064 24 0 "[ . 1 . 2 . 3]"
1 125 GLY 0.214 0.054 10 0 "[ . 1 . 2 . 3]"
1 126 ASP 1.124 0.155 27 0 "[ . 1 . 2 . 3]"
1 127 GLU 1.117 0.123 30 0 "[ . 1 . 2 . 3]"
1 128 ILE 1.132 0.089 19 0 "[ . 1 . 2 . 3]"
1 129 GLN 0.839 0.089 19 0 "[ . 1 . 2 . 3]"
1 130 ILE 0.516 0.092 2 0 "[ . 1 . 2 . 3]"
1 131 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 132 LYS 0.059 0.026 8 0 "[ . 1 . 2 . 3]"
1 133 PHE 1.186 0.092 2 0 "[ . 1 . 2 . 3]"
1 134 ARG 0.504 0.074 13 0 "[ . 1 . 2 . 3]"
1 135 LEU 1.109 0.227 23 0 "[ . 1 . 2 . 3]"
1 136 VAL 1.067 0.227 23 0 "[ . 1 . 2 . 3]"
1 137 PHE 0.258 0.064 24 0 "[ . 1 . 2 . 3]"
1 138 LEU 1.093 0.085 12 0 "[ . 1 . 2 . 3]"
1 139 ALA 0.711 0.085 12 0 "[ . 1 . 2 . 3]"
1 140 GLY 0.402 0.089 4 0 "[ . 1 . 2 . 3]"
1 141 PRO 2.064 0.117 10 0 "[ . 1 . 2 . 3]"
1 142 ALA 2.172 0.117 10 0 "[ . 1 . 2 . 3]"
1 143 GLU 1.247 0.168 4 0 "[ . 1 . 2 . 3]"
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 ASP H 1 3 ASP QB 3.650 . 3.650 2.773 2.330 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 3 ASP QB 1 4 ASN H 4.410 . 4.410 3.251 2.136 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 ASN H 1 4 ASN QD 5.080 . 5.080 3.764 1.964 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 7 THR H 1 7 THR HB 3.600 . 3.600 2.827 2.389 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 8 PRO HA 1 9 GLU H 2.660 . 2.660 2.186 2.128 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 9 GLU H 1 9 GLU QB 3.450 . 3.450 2.546 2.105 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 9 GLU H 1 9 GLU QG 3.700 . 3.700 2.433 1.858 3.828 0.128 3 0 "[ . 1 . 2 . 3]" 1
8 1 9 GLU H 1 10 PRO QD 5.670 . 5.670 4.258 3.814 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 10 PRO HA 1 11 GLN H 2.840 . 2.840 2.151 2.026 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 10 PRO QB 1 11 GLN H 4.240 . 4.240 3.159 2.237 3.500 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 10 PRO HB2 1 11 GLN H 3.880 . 3.880 3.532 2.272 3.957 0.077 5 0 "[ . 1 . 2 . 3]" 1
12 1 10 PRO HB3 1 11 GLN H 3.880 . 3.880 3.645 2.865 3.949 0.069 13 0 "[ . 1 . 2 . 3]" 1
13 1 10 PRO QG 1 11 GLN H 5.110 . 5.110 4.645 3.891 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 11 GLN H 1 12 VAL H 4.420 . 4.420 4.198 2.952 4.516 0.096 24 0 "[ . 1 . 2 . 3]" 1
15 1 11 GLN HA 1 12 VAL H 2.670 . 2.670 2.177 2.046 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 11 GLN QB 1 12 VAL H 5.190 . 5.190 3.395 2.074 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 11 GLN QG 1 12 VAL H 5.700 . 5.700 3.946 2.480 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 11 GLN HG2 1 12 VAL H 5.500 . 5.500 4.605 2.711 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 11 GLN HG3 1 12 VAL H 5.500 . 5.500 4.457 2.508 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 12 VAL H 1 12 VAL HB 3.550 . 3.550 2.995 2.469 3.662 0.112 20 0 "[ . 1 . 2 . 3]" 1
21 1 12 VAL H 1 13 GLU H 4.600 . 4.600 4.263 3.171 4.622 0.022 3 0 "[ . 1 . 2 . 3]" 1
22 1 12 VAL HA 1 13 GLU H 2.560 . 2.560 2.188 2.045 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 12 VAL QG 1 13 GLU H 6.320 . 6.320 2.937 2.025 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 12 VAL MG1 1 13 GLU H 5.860 . 5.860 3.697 2.375 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 12 VAL MG2 1 13 GLU H 5.860 . 5.860 3.398 2.043 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 13 GLU H 1 13 GLU HB2 3.590 . 3.590 3.140 2.296 3.643 0.053 25 0 "[ . 1 . 2 . 3]" 1
27 1 13 GLU H 1 13 GLU QB 2.930 . 2.930 2.508 2.184 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 13 GLU H 1 13 GLU HB3 3.590 . 3.590 2.667 2.416 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 13 GLU H 1 13 GLU HG2 5.430 . 5.430 3.763 1.856 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 13 GLU H 1 13 GLU QG 4.610 . 4.610 3.335 1.836 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 13 GLU H 1 13 GLU HG3 5.430 . 5.430 4.010 1.947 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 13 GLU HA 1 14 THR H 2.920 . 2.920 2.159 2.053 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 13 GLU QB 1 14 THR H 3.860 . 3.860 3.389 2.803 3.860 0.000 4 0 "[ . 1 . 2 . 3]" 1
34 1 13 GLU HB2 1 14 THR H 4.480 . 4.480 3.746 2.882 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 13 GLU HB3 1 14 THR H 4.480 . 4.480 4.047 3.728 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 13 GLU QG 1 14 THR H 4.530 . 4.530 3.408 2.586 4.552 0.022 18 0 "[ . 1 . 2 . 3]" 1
37 1 13 GLU HG2 1 14 THR H 5.190 . 5.190 4.134 2.788 5.217 0.027 18 0 "[ . 1 . 2 . 3]" 1
38 1 13 GLU HG3 1 14 THR H 5.190 . 5.190 3.857 2.635 5.243 0.053 6 0 "[ . 1 . 2 . 3]" 1
39 1 14 THR H 1 15 THR H 4.740 . 4.740 3.942 2.299 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 15 THR H 1 16 SER H 4.150 . 4.150 3.708 1.909 4.270 0.120 10 0 "[ . 1 . 2 . 3]" 1
41 1 15 THR HA 1 16 SER H 3.150 . 3.150 2.364 1.969 3.247 0.097 15 0 "[ . 1 . 2 . 3]" 1
42 1 15 THR MG 1 16 SER H 5.400 . 5.400 3.619 2.426 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 16 SER H 1 17 VAL H 4.260 . 4.260 3.830 2.146 4.349 0.089 4 0 "[ . 1 . 2 . 3]" 1
44 1 16 SER HA 1 17 VAL H 3.100 . 3.100 2.328 2.093 3.350 0.250 29 0 "[ . 1 . 2 . 3]" 1
45 1 16 SER QB 1 17 VAL H 5.420 . 5.420 3.618 2.162 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 16 SER HB2 1 17 VAL H 5.320 . 5.320 4.246 3.128 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 16 SER HB3 1 17 VAL H 5.320 . 5.320 4.001 2.182 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 17 VAL H 1 17 VAL HB 3.730 . 3.730 3.244 2.445 3.822 0.092 29 0 "[ . 1 . 2 . 3]" 1
49 1 17 VAL H 1 18 PHE H 4.390 . 4.390 4.229 2.440 4.482 0.092 11 0 "[ . 1 . 2 . 3]" 1
50 1 17 VAL HA 1 18 PHE H 2.900 . 2.900 2.226 2.011 3.033 0.133 25 0 "[ . 1 . 2 . 3]" 1
51 1 17 VAL HB 1 18 PHE H 4.190 . 4.190 3.563 1.924 4.260 0.070 18 0 "[ . 1 . 2 . 3]" 1
52 1 17 VAL QG 1 18 PHE H 6.260 . 6.260 2.957 2.081 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 17 VAL MG1 1 18 PHE H 5.810 . 5.810 3.432 2.454 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 17 VAL MG2 1 18 PHE H 5.810 . 5.810 3.637 2.096 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 18 PHE H 1 18 PHE HB2 4.170 . 4.170 3.188 2.375 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 18 PHE H 1 18 PHE HB3 4.170 . 4.170 3.117 2.385 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 18 PHE HA 1 19 ARG H 2.930 . 2.930 2.233 1.980 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 18 PHE QB 1 19 ARG H 5.220 . 5.220 3.125 2.209 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 18 PHE HB2 1 19 ARG H 5.020 . 5.020 3.587 2.227 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 18 PHE HB3 1 19 ARG H 5.020 . 5.020 3.774 2.512 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 18 PHE QD 1 19 ARG H 6.400 . 6.400 3.793 2.767 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 19 ARG H 1 19 ARG HB2 3.680 . 3.680 2.600 2.245 3.707 0.027 7 0 "[ . 1 . 2 . 3]" 1
63 1 19 ARG H 1 19 ARG HB3 3.680 . 3.680 3.568 2.476 3.769 0.089 24 0 "[ . 1 . 2 . 3]" 1
64 1 19 ARG H 1 19 ARG QG 4.690 . 4.690 2.848 1.981 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 19 ARG H 1 20 ALA H 4.640 . 4.640 4.208 2.169 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 19 ARG HA 1 20 ALA H 3.080 . 3.080 2.330 2.050 3.101 0.021 13 0 "[ . 1 . 2 . 3]" 1
67 1 19 ARG QB 1 20 ALA H 4.800 . 4.800 2.905 1.812 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 19 ARG HB2 1 20 ALA H 4.520 . 4.520 3.845 2.775 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 19 ARG HB2 1 21 ASP H 4.720 . 4.720 3.936 2.755 4.756 0.036 9 0 "[ . 1 . 2 . 3]" 1
70 1 19 ARG HB3 1 20 ALA H 4.520 . 4.520 3.080 1.830 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 19 ARG HB3 1 21 ASP H 4.720 . 4.720 4.007 2.188 4.803 0.083 4 0 "[ . 1 . 2 . 3]" 1
72 1 19 ARG QG 1 20 ALA H 5.700 . 5.700 4.107 3.441 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 20 ALA H 1 21 ASP H 4.380 . 4.380 3.443 2.263 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 20 ALA HA 1 21 ASP H 3.090 . 3.090 2.452 2.146 3.166 0.076 10 0 "[ . 1 . 2 . 3]" 1
75 1 20 ALA HA 1 22 LEU H 4.510 . 4.510 3.547 3.055 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 20 ALA MB 1 21 ASP H 4.900 . 4.900 3.573 3.147 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 20 ALA MB 1 22 LEU H 6.130 . 6.130 4.256 3.398 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 21 ASP H 1 21 ASP HB2 3.600 . 3.600 2.559 2.304 3.617 0.017 7 0 "[ . 1 . 2 . 3]" 1
79 1 21 ASP H 1 21 ASP QB 3.020 . 3.020 2.395 2.214 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 21 ASP H 1 21 ASP HB3 3.600 . 3.600 3.246 2.362 3.637 0.037 26 0 "[ . 1 . 2 . 3]" 1
81 1 21 ASP H 1 22 LEU H 3.390 . 3.390 2.452 2.089 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 21 ASP H 1 22 LEU QB 5.490 . 5.490 4.637 3.839 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 21 ASP QB 1 22 LEU H 3.790 . 3.790 2.643 2.239 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 21 ASP HB2 1 22 LEU H 4.440 . 4.440 3.089 2.265 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 21 ASP HB3 1 22 LEU H 4.440 . 4.440 3.355 2.324 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 22 LEU H 1 22 LEU QB 3.920 . 3.920 2.755 2.187 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 22 LEU HA 1 23 LEU H 2.870 . 2.870 2.201 2.065 2.880 0.010 15 0 "[ . 1 . 2 . 3]" 1
88 1 23 LEU H 1 23 LEU QB 3.820 . 3.820 2.590 2.086 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 23 LEU HA 1 24 LYS H 3.300 . 3.300 2.234 2.027 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 23 LEU QB 1 24 LYS H 5.210 . 5.210 3.324 2.052 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 24 LYS H 1 24 LYS QD 4.520 . 4.520 3.129 1.759 4.499 0.041 29 0 "[ . 1 . 2 . 3]" 1
92 1 31 GLY H 1 32 THR H 4.950 . 4.950 3.849 2.251 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 32 THR H 1 33 ALA H 5.500 . 5.500 4.477 4.206 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 32 THR HA 1 33 ALA H 2.940 . 2.940 2.235 2.051 2.431 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 32 THR HB 1 33 ALA H 3.920 . 3.920 3.681 2.543 4.044 0.124 23 0 "[ . 1 . 2 . 3]" 1
96 1 32 THR MG 1 33 ALA H 4.970 . 4.970 3.138 2.272 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 34 PRO HA 1 35 ALA H 2.850 . 2.850 2.179 2.037 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 34 PRO QB 1 35 ALA H 4.350 . 4.350 3.229 2.248 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 34 PRO QB 1 36 SER H 5.250 . 5.250 4.242 2.006 5.304 0.054 16 0 "[ . 1 . 2 . 3]" 1
100 1 34 PRO HB2 1 35 ALA H 3.960 . 3.960 3.588 2.277 4.040 0.080 5 0 "[ . 1 . 2 . 3]" 1
101 1 34 PRO HB3 1 35 ALA H 3.960 . 3.960 3.762 2.929 4.001 0.041 1 0 "[ . 1 . 2 . 3]" 1
102 1 35 ALA MB 1 36 SER H 4.790 . 4.790 3.255 2.274 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 36 SER H 1 36 SER HB2 4.190 . 4.190 2.921 2.407 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 36 SER H 1 36 SER HB3 4.190 . 4.190 3.362 2.383 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 36 SER HA 1 37 THR H 3.480 . 3.480 2.452 2.096 3.525 0.045 23 0 "[ . 1 . 2 . 3]" 1
106 1 36 SER QB 1 37 THR H 5.270 . 5.270 3.349 2.452 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 37 THR HA 1 38 GLY H 3.540 . 3.540 2.491 2.041 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 37 THR MG 1 38 GLY H 5.500 . 5.500 3.395 2.007 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 38 GLY H 1 39 ALA H 3.840 . 3.840 3.067 1.842 4.093 0.253 13 0 "[ . 1 . 2 . 3]" 1
110 1 38 GLY H 1 39 ALA MB 6.180 . 6.180 4.428 3.432 5.615 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 39 ALA H 1 40 GLU H 3.390 . 3.390 2.578 2.239 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 39 ALA H 1 40 GLU QG 4.790 . 4.790 4.180 3.426 4.928 0.138 4 0 "[ . 1 . 2 . 3]" 1
113 1 39 ALA HA 1 40 GLU H 3.610 . 3.610 3.456 3.382 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 39 ALA MB 1 40 GLU H 4.530 . 4.530 2.727 2.216 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 39 ALA MB 1 41 ASN H 5.940 . 5.940 4.336 4.009 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 40 GLU H 1 40 GLU QB 3.490 . 3.490 2.605 2.464 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 40 GLU H 1 40 GLU HG2 3.990 . 3.990 2.504 1.845 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 40 GLU H 1 40 GLU QG 3.290 . 3.290 2.358 1.829 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 40 GLU H 1 40 GLU HG3 3.990 . 3.990 3.348 1.876 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 40 GLU H 1 41 ASN H 3.700 . 3.700 2.521 2.202 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 40 GLU H 1 42 LEU QB 5.950 . 5.950 5.445 4.764 6.021 0.071 14 0 "[ . 1 . 2 . 3]" 1
122 1 40 GLU HA 1 42 LEU H 4.600 . 4.600 3.932 3.278 4.634 0.034 28 0 "[ . 1 . 2 . 3]" 1
123 1 40 GLU QB 1 41 ASN H 4.050 . 4.050 3.603 2.512 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 40 GLU QG 1 41 ASN H 4.040 . 4.040 2.881 2.272 4.064 0.024 8 0 "[ . 1 . 2 . 3]" 1
125 1 40 GLU HG2 1 41 ASN H 4.680 . 4.680 3.169 2.478 4.815 0.135 25 0 "[ . 1 . 2 . 3]" 1
126 1 40 GLU HG3 1 41 ASN H 4.680 . 4.680 3.658 2.640 4.734 0.054 15 0 "[ . 1 . 2 . 3]" 1
127 1 41 ASN H 1 41 ASN HB2 3.710 . 3.710 2.573 2.221 3.721 0.011 14 0 "[ . 1 . 2 . 3]" 1
128 1 41 ASN H 1 41 ASN HB3 3.710 . 3.710 3.035 2.361 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 41 ASN H 1 42 LEU H 3.430 . 3.430 2.415 2.157 2.699 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 41 ASN H 1 42 LEU QB 5.200 . 5.200 4.371 3.929 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 41 ASN H 1 42 LEU QD 7.570 . 7.570 4.446 3.082 5.569 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 41 ASN HB2 1 42 LEU H 4.030 . 4.030 3.565 2.625 4.114 0.084 14 0 "[ . 1 . 2 . 3]" 1
133 1 41 ASN HB3 1 42 LEU H 4.030 . 4.030 3.367 2.449 4.075 0.045 30 0 "[ . 1 . 2 . 3]" 1
134 1 42 LEU H 1 42 LEU HB2 3.510 . 3.510 2.687 2.256 3.629 0.119 8 0 "[ . 1 . 2 . 3]" 1
135 1 42 LEU H 1 42 LEU QB 3.760 . 3.760 2.440 2.146 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 42 LEU H 1 42 LEU HB3 3.510 . 3.510 3.210 2.315 3.628 0.118 16 0 "[ . 1 . 2 . 3]" 1
137 1 42 LEU H 1 42 LEU MD1 5.400 . 5.400 3.726 1.970 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 42 LEU H 1 42 LEU MD2 5.400 . 5.400 3.606 2.153 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 42 LEU H 1 43 PRO QD 5.550 . 5.550 3.841 2.209 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 44 ALA H 1 45 GLY H 4.600 . 4.600 3.991 2.471 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 44 ALA HA 1 45 GLY H 2.820 . 2.820 2.304 2.028 2.885 0.065 30 0 "[ . 1 . 2 . 3]" 1
142 1 44 ALA MB 1 45 GLY H 4.260 . 4.260 3.085 1.849 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 44 ALA MB 1 46 SER H 5.210 . 5.210 3.945 2.394 5.240 0.030 21 0 "[ . 1 . 2 . 3]" 1
144 1 44 ALA MB 1 143 GLU H 5.430 . 5.430 3.885 1.985 5.482 0.052 6 0 "[ . 1 . 2 . 3]" 1
145 1 45 GLY H 1 46 SER H 3.440 . 3.440 2.704 1.799 3.545 0.105 30 0 "[ . 1 . 2 . 3]" 1
146 1 46 SER H 1 47 ALA H 4.610 . 4.610 4.467 4.263 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 46 SER H 1 47 ALA MB 6.530 . 6.530 5.205 4.412 5.692 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 46 SER HA 1 47 ALA H 3.090 . 3.090 2.344 2.131 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 46 SER QB 1 47 ALA H 3.970 . 3.970 2.534 2.314 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 46 SER HB2 1 47 ALA H 3.530 . 3.530 3.476 2.615 3.624 0.094 8 0 "[ . 1 . 2 . 3]" 1
151 1 46 SER HB3 1 47 ALA H 3.530 . 3.530 2.661 2.345 3.580 0.050 30 0 "[ . 1 . 2 . 3]" 1
152 1 47 ALA H 1 48 LEU H 4.620 . 4.620 4.386 4.215 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 47 ALA H 1 62 LEU HA 5.500 . 5.500 4.859 3.878 5.528 0.028 10 0 "[ . 1 . 2 . 3]" 1
154 1 47 ALA H 1 62 LEU QD 6.630 . 6.630 3.826 2.552 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 47 ALA H 1 63 LEU H 4.220 . 4.220 3.435 2.708 4.221 0.001 10 0 "[ . 1 . 2 . 3]" 1
156 1 47 ALA H 1 63 LEU QB 4.540 . 4.540 3.192 2.374 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 47 ALA H 1 63 LEU QD 6.370 . 6.370 3.806 2.585 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 47 ALA H 1 99 PHE QD 6.120 . 6.120 5.098 3.651 6.139 0.019 21 0 "[ . 1 . 2 . 3]" 1
159 1 47 ALA HA 1 48 LEU H 3.340 . 3.340 2.542 2.135 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 47 ALA HA 1 140 GLY H 3.340 . 3.340 2.533 1.806 3.429 0.089 4 0 "[ . 1 . 2 . 3]" 1
161 1 47 ALA MB 1 48 LEU H 4.280 . 4.280 2.340 1.926 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 47 ALA MB 1 139 ALA H 5.660 . 5.660 4.416 3.837 5.489 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 47 ALA MB 1 140 GLY H 4.500 . 4.500 3.221 2.549 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 47 ALA O 1 63 LEU H 2.300 . 2.300 1.898 1.735 2.279 0.065 25 0 "[ . 1 . 2 . 3]" 1
165 1 47 ALA O 1 63 LEU N 3.300 . 3.300 2.862 2.666 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 48 LEU H 1 48 LEU HB2 4.020 . 4.020 3.891 3.814 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 48 LEU H 1 48 LEU HB3 4.020 . 4.020 3.267 3.129 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 48 LEU H 1 63 LEU H 5.240 . 5.240 4.835 4.522 5.252 0.012 10 0 "[ . 1 . 2 . 3]" 1
169 1 48 LEU H 1 137 PHE QD 7.230 . 7.230 4.726 4.248 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 48 LEU H 1 138 LEU H 4.160 . 4.160 3.403 3.105 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 48 LEU H 1 138 LEU O 2.300 . 2.300 2.000 1.777 2.352 0.052 1 0 "[ . 1 . 2 . 3]" 1
172 1 48 LEU H 1 139 ALA H 5.440 . 5.440 4.947 4.501 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 48 LEU H 1 139 ALA HA 4.510 . 4.510 3.474 2.920 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 48 LEU H 1 140 GLY H 4.370 . 4.370 3.658 2.619 4.457 0.087 17 0 "[ . 1 . 2 . 3]" 1
175 1 48 LEU HA 1 49 LEU H 3.060 . 3.060 2.232 2.108 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 48 LEU HA 1 63 LEU H 4.020 . 4.020 2.882 2.282 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 48 LEU QB 1 61 PHE H 5.050 . 5.050 3.548 3.162 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 48 LEU QD 1 139 ALA H 6.730 . 6.730 4.299 3.674 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 48 LEU N 1 138 LEU O 3.300 . 3.300 2.957 2.751 3.316 0.016 1 0 "[ . 1 . 2 . 3]" 1
180 1 48 LEU O 1 138 LEU H 2.300 . 2.300 1.914 1.766 2.147 0.034 2 0 "[ . 1 . 2 . 3]" 1
181 1 48 LEU O 1 138 LEU N 3.300 . 3.300 2.886 2.733 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 49 LEU H 1 49 LEU MD1 5.140 . 5.140 3.226 1.796 4.198 0.004 8 0 "[ . 1 . 2 . 3]" 1
183 1 49 LEU H 1 49 LEU MD2 5.140 . 5.140 3.276 1.785 4.075 0.015 13 0 "[ . 1 . 2 . 3]" 1
184 1 49 LEU H 1 49 LEU HG 4.080 . 4.080 2.612 2.106 4.104 0.024 21 0 "[ . 1 . 2 . 3]" 1
185 1 49 LEU H 1 50 VAL QG 6.380 . 6.380 4.159 3.824 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 49 LEU H 1 61 PHE H 4.040 . 4.040 2.910 2.658 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 49 LEU H 1 61 PHE QB 6.220 . 6.220 4.340 3.369 5.266 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 49 LEU H 1 61 PHE QD 7.050 . 7.050 4.773 4.318 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 49 LEU H 1 61 PHE O 2.300 . 2.300 1.990 1.781 2.220 0.019 6 0 "[ . 1 . 2 . 3]" 1
190 1 49 LEU H 1 62 LEU HA 4.210 . 4.210 3.617 3.170 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 49 LEU H 1 63 LEU H 5.120 . 5.120 4.545 4.045 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 49 LEU H 1 63 LEU QD 6.520 . 6.520 3.462 2.432 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 49 LEU H 1 137 PHE QD 7.620 . 7.620 4.713 3.909 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 49 LEU HA 1 50 VAL H 3.210 . 3.210 2.166 2.092 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 49 LEU HA 1 136 VAL H 4.800 . 4.800 4.732 4.495 4.842 0.042 10 0 "[ . 1 . 2 . 3]" 1
196 1 49 LEU HA 1 138 LEU H 4.400 . 4.400 3.087 2.562 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 49 LEU QB 1 50 VAL H 4.670 . 4.670 2.873 2.662 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 49 LEU HB2 1 50 VAL H 4.340 . 4.340 2.952 2.722 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 49 LEU HB3 1 50 VAL H 4.340 . 4.340 3.949 3.732 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 49 LEU QD 1 50 VAL H 6.130 . 6.130 3.785 3.319 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 49 LEU QD 1 61 PHE H 5.820 . 5.820 2.730 2.238 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 49 LEU QD 1 136 VAL H 7.570 . 7.570 4.928 4.060 5.509 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 49 LEU HG 1 50 VAL H 5.080 . 5.080 4.846 4.088 5.122 0.042 21 0 "[ . 1 . 2 . 3]" 1
204 1 49 LEU HG 1 61 PHE H 5.080 . 5.080 3.664 2.566 5.139 0.059 8 0 "[ . 1 . 2 . 3]" 1
205 1 49 LEU N 1 61 PHE O 3.300 . 3.300 2.946 2.755 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 49 LEU O 1 61 PHE H 2.300 . 2.300 2.041 1.788 2.345 0.045 8 0 "[ . 1 . 2 . 3]" 1
207 1 49 LEU O 1 61 PHE N 3.300 . 3.300 2.963 2.756 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 50 VAL H 1 50 VAL HB 4.150 . 4.150 3.111 2.560 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 50 VAL H 1 50 VAL MG1 4.760 . 4.760 3.489 2.615 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 50 VAL H 1 50 VAL MG2 4.760 . 4.760 2.520 2.156 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 50 VAL H 1 136 VAL H 3.600 . 3.600 3.025 2.796 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 50 VAL H 1 136 VAL QG 6.900 . 6.900 3.477 2.669 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 50 VAL H 1 136 VAL O 2.300 . 2.300 1.847 1.754 2.196 0.046 13 0 "[ . 1 . 2 . 3]" 1
214 1 50 VAL H 1 138 LEU H 4.800 . 4.800 4.467 4.239 4.805 0.005 21 0 "[ . 1 . 2 . 3]" 1
215 1 50 VAL HA 1 51 VAL H 3.310 . 3.310 2.168 2.085 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 50 VAL HA 1 59 ALA H 5.240 . 5.240 4.921 4.336 5.285 0.045 7 0 "[ . 1 . 2 . 3]" 1
217 1 50 VAL HA 1 60 ARG H 5.060 . 5.060 4.678 4.321 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 50 VAL HA 1 61 PHE H 4.330 . 4.330 3.718 3.195 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 50 VAL QG 1 51 VAL H 6.040 . 6.040 2.999 2.238 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 50 VAL QG 1 60 ARG H 7.020 . 7.020 4.292 3.670 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 50 VAL QG 1 61 PHE H 6.290 . 6.290 3.962 3.421 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 50 VAL QG 1 136 VAL H 6.240 . 6.240 3.548 2.550 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 50 VAL N 1 136 VAL O 3.300 . 3.300 2.818 2.730 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 50 VAL O 1 136 VAL H 2.300 . 2.300 1.843 1.733 2.193 0.067 25 0 "[ . 1 . 2 . 3]" 1
225 1 50 VAL O 1 136 VAL N 3.300 . 3.300 2.813 2.708 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 51 VAL H 1 51 VAL HB 3.830 . 3.830 2.623 2.513 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 51 VAL H 1 52 LYS H 4.500 . 4.500 4.317 4.246 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 51 VAL H 1 59 ALA H 4.390 . 4.390 3.330 2.937 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 51 VAL H 1 59 ALA MB 6.100 . 6.100 4.732 4.545 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 51 VAL H 1 59 ALA O 2.300 . 2.300 2.013 1.789 2.423 0.123 23 0 "[ . 1 . 2 . 3]" 1
231 1 51 VAL H 1 60 ARG HA 4.800 . 4.800 3.323 2.761 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 51 VAL HA 1 52 LYS H 3.460 . 3.460 2.054 1.964 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 51 VAL HA 1 53 ARG H 3.600 . 3.600 3.648 3.597 3.689 0.089 3 0 "[ . 1 . 2 . 3]" 1
234 1 51 VAL HA 1 136 VAL H 4.000 . 4.000 3.450 3.033 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 51 VAL HB 1 57 ALA H 4.850 . 4.850 4.471 3.709 4.909 0.059 6 0 "[ . 1 . 2 . 3]" 1
236 1 51 VAL HB 1 58 GLY H 3.630 . 3.630 3.151 1.877 3.789 0.159 30 0 "[ . 1 . 2 . 3]" 1
237 1 51 VAL HB 1 59 ALA H 3.420 . 3.420 2.431 2.017 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 51 VAL QG 1 52 LYS H 6.310 . 6.310 2.842 2.673 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 51 VAL QG 1 58 GLY H 6.230 . 6.230 2.944 1.793 3.958 0.007 26 0 "[ . 1 . 2 . 3]" 1
240 1 51 VAL QG 1 59 ALA H 5.490 . 5.490 2.889 2.394 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 51 VAL MG1 1 59 ALA H 5.290 . 5.290 3.835 2.854 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 51 VAL MG2 1 59 ALA H 5.290 . 5.290 3.023 2.421 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 51 VAL N 1 59 ALA O 3.300 . 3.300 2.962 2.761 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 52 LYS H 1 52 LYS HB2 4.030 . 4.030 2.478 2.238 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 52 LYS H 1 52 LYS HB3 4.030 . 4.030 3.143 2.349 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 52 LYS H 1 52 LYS QG 5.030 . 5.030 3.209 2.147 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 52 LYS H 1 53 ARG H 3.370 . 3.370 2.276 2.001 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 52 LYS H 1 134 ARG H 4.800 . 4.800 4.657 4.131 4.828 0.028 5 0 "[ . 1 . 2 . 3]" 1
249 1 52 LYS H 1 135 LEU HA 4.140 . 4.140 2.819 2.186 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 52 LYS QB 1 53 ARG H 4.250 . 4.250 2.656 2.363 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 52 LYS HB2 1 53 ARG H 3.930 . 3.930 3.219 2.457 3.975 0.045 15 0 "[ . 1 . 2 . 3]" 1
252 1 52 LYS HB3 1 53 ARG H 3.930 . 3.930 3.238 2.391 3.991 0.061 14 0 "[ . 1 . 2 . 3]" 1
253 1 52 LYS QG 1 53 ARG H 5.840 . 5.840 4.041 3.620 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 53 ARG H 1 54 GLY H 4.410 . 4.410 3.973 3.416 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 53 ARG H 1 133 PHE HA 5.500 . 5.500 5.275 4.637 5.557 0.057 12 0 "[ . 1 . 2 . 3]" 1
256 1 53 ARG H 1 134 ARG H 3.600 . 3.600 3.372 2.906 3.608 0.008 25 0 "[ . 1 . 2 . 3]" 1
257 1 53 ARG H 1 135 LEU HA 4.920 . 4.920 4.402 3.804 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 53 ARG HA 1 54 GLY H 2.970 . 2.970 2.173 2.094 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 53 ARG QB 1 54 GLY H 4.640 . 4.640 3.675 2.579 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 53 ARG QG 1 54 GLY H 4.200 . 4.200 3.097 2.112 4.224 0.024 4 0 "[ . 1 . 2 . 3]" 1
261 1 54 GLY H 1 134 ARG H 5.500 . 5.500 5.300 4.783 5.574 0.074 13 0 "[ . 1 . 2 . 3]" 1
262 1 54 GLY QA 1 134 ARG H 5.700 . 5.700 3.958 3.280 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 55 PRO QB 1 56 ASN H 4.680 . 4.680 3.209 2.849 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 55 PRO QG 1 56 ASN H 4.690 . 4.690 3.649 2.160 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 56 ASN H 1 56 ASN HB2 3.760 . 3.760 3.039 2.363 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 56 ASN H 1 56 ASN HB3 3.760 . 3.760 2.832 2.369 3.818 0.058 23 0 "[ . 1 . 2 . 3]" 1
267 1 56 ASN H 1 57 ALA H 3.230 . 3.230 2.792 2.305 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 56 ASN H 1 80 LEU HA 4.800 . 4.800 4.326 3.630 4.819 0.019 7 0 "[ . 1 . 2 . 3]" 1
269 1 56 ASN HA 1 80 LEU H 4.400 . 4.400 4.496 4.402 4.578 0.178 5 0 "[ . 1 . 2 . 3]" 1
270 1 56 ASN HA 1 82 ASP H 4.800 . 4.800 4.811 3.877 4.991 0.191 15 0 "[ . 1 . 2 . 3]" 1
271 1 56 ASN HB2 1 57 ALA H 4.560 . 4.560 3.390 1.826 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 56 ASN HB3 1 57 ALA H 4.560 . 4.560 3.323 2.172 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 56 ASN QD 1 80 LEU HG 5.270 . 5.270 4.092 1.790 5.318 0.048 29 0 "[ . 1 . 2 . 3]" 1
274 1 57 ALA H 1 58 GLY H 4.350 . 4.350 3.236 1.796 4.285 0.004 7 0 "[ . 1 . 2 . 3]" 1
275 1 57 ALA H 1 58 GLY QA 5.510 . 5.510 3.938 3.386 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 57 ALA MB 1 58 GLY H 4.400 . 4.400 2.131 1.792 3.195 0.008 27 0 "[ . 1 . 2 . 3]" 1
277 1 58 GLY H 1 59 ALA H 3.420 . 3.420 2.451 1.991 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 59 ALA H 1 60 ARG H 4.410 . 4.410 4.226 4.102 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 59 ALA H 1 60 ARG QB 5.340 . 5.340 5.295 4.933 5.424 0.084 13 0 "[ . 1 . 2 . 3]" 1
280 1 59 ALA HA 1 60 ARG H 2.800 . 2.800 2.685 2.498 2.838 0.038 26 0 "[ . 1 . 2 . 3]" 1
281 1 59 ALA MB 1 60 ARG H 4.040 . 4.040 1.984 1.801 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 60 ARG H 1 60 ARG HB2 3.950 . 3.950 3.780 3.657 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 60 ARG H 1 60 ARG QB 3.420 . 3.420 2.954 2.620 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 60 ARG H 1 60 ARG HB3 3.950 . 3.950 3.090 2.684 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 60 ARG H 1 60 ARG QD 5.110 . 5.110 3.908 1.790 4.464 0.010 26 0 "[ . 1 . 2 . 3]" 1
286 1 60 ARG H 1 60 ARG QG 4.760 . 4.760 2.368 2.080 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 60 ARG H 1 61 PHE H 4.450 . 4.450 4.349 4.189 4.451 0.001 22 0 "[ . 1 . 2 . 3]" 1
288 1 60 ARG HA 1 61 PHE H 3.130 . 3.130 2.199 2.109 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 60 ARG QB 1 61 PHE H 3.450 . 3.450 2.944 2.601 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 60 ARG HB2 1 61 PHE H 4.210 . 4.210 3.022 2.647 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 60 ARG HB3 1 61 PHE H 4.210 . 4.210 4.070 3.828 4.225 0.015 15 0 "[ . 1 . 2 . 3]" 1
292 1 60 ARG QG 1 61 PHE H 6.220 . 6.220 3.954 3.400 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 61 PHE H 1 61 PHE HB2 3.980 . 3.980 3.361 2.612 4.021 0.041 10 0 "[ . 1 . 2 . 3]" 1
294 1 61 PHE H 1 61 PHE HB3 3.980 . 3.980 3.521 2.591 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 61 PHE H 1 61 PHE QD 5.660 . 5.660 3.333 2.830 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 61 PHE H 1 62 LEU H 4.820 . 4.820 4.286 4.095 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 61 PHE HA 1 62 LEU H 3.520 . 3.520 2.202 2.045 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 61 PHE QB 1 62 LEU H 4.690 . 4.690 2.858 2.397 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 61 PHE HB2 1 62 LEU H 4.460 . 4.460 3.369 2.436 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 61 PHE HB3 1 62 LEU H 4.460 . 4.460 3.514 2.605 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 61 PHE QD 1 62 LEU H 6.350 . 6.350 3.786 3.322 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 62 LEU H 1 62 LEU HB2 3.630 . 3.630 2.776 2.381 3.688 0.058 18 0 "[ . 1 . 2 . 3]" 1
303 1 62 LEU H 1 62 LEU HB3 3.630 . 3.630 2.700 2.284 3.658 0.028 30 0 "[ . 1 . 2 . 3]" 1
304 1 62 LEU H 1 63 LEU H 5.500 . 5.500 4.453 4.249 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 62 LEU HA 1 63 LEU H 3.330 . 3.330 2.197 2.074 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 62 LEU QB 1 63 LEU H 5.260 . 5.260 3.489 2.807 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 62 LEU QD 1 63 LEU H 6.110 . 6.110 3.079 2.359 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 63 LEU H 1 63 LEU MD1 5.590 . 5.590 3.288 2.060 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 63 LEU H 1 63 LEU MD2 5.590 . 5.590 3.070 1.931 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 63 LEU QB 1 65 GLN H 5.710 . 5.710 3.508 2.769 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 63 LEU QD 1 65 GLN H 6.490 . 6.490 4.140 3.285 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 64 ASP H 1 65 GLN H 3.210 . 3.210 2.031 1.751 3.220 0.049 21 0 "[ . 1 . 2 . 3]" 1
313 1 65 GLN H 1 65 GLN HB2 4.070 . 4.070 3.065 2.438 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 65 GLN H 1 65 GLN HB3 4.070 . 4.070 3.065 2.285 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 65 GLN H 1 65 GLN QG 4.520 . 4.520 3.026 1.821 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 65 GLN H 1 66 PRO HD2 5.500 . 5.500 4.769 4.487 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 65 GLN H 1 66 PRO HD3 5.500 . 5.500 4.835 4.252 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 65 GLN H 1 94 ILE MG 5.430 . 5.430 4.443 2.665 5.458 0.028 3 0 "[ . 1 . 2 . 3]" 1
319 1 65 GLN QB 1 67 THR H 4.820 . 4.820 3.463 2.763 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 65 GLN QE 1 68 THR HA 4.870 . 4.870 3.246 2.103 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 65 GLN QG 1 67 THR H 5.110 . 5.110 3.743 1.970 5.169 0.059 1 0 "[ . 1 . 2 . 3]" 1
322 1 66 PRO HA 1 94 ILE H 4.000 . 4.000 3.271 2.707 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 66 PRO QB 1 67 THR H 4.390 . 4.390 2.813 2.152 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 66 PRO QB 1 94 ILE H 6.160 . 6.160 4.265 3.852 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 66 PRO HB2 1 67 THR H 4.220 . 4.220 2.881 2.168 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 66 PRO HB3 1 67 THR H 4.220 . 4.220 4.016 3.631 4.255 0.035 2 0 "[ . 1 . 2 . 3]" 1
327 1 66 PRO QG 1 67 THR H 4.480 . 4.480 2.667 2.117 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 66 PRO HG2 1 67 THR H 4.200 . 4.200 2.714 2.130 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 66 PRO HG3 1 67 THR H 4.200 . 4.200 4.099 3.694 4.302 0.102 23 0 "[ . 1 . 2 . 3]" 1
330 1 66 PRO O 1 94 ILE H 2.300 . 2.300 2.016 1.790 2.331 0.031 27 0 "[ . 1 . 2 . 3]" 1
331 1 66 PRO O 1 94 ILE N 3.300 . 3.300 2.965 2.760 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 67 THR H 1 67 THR HB 3.120 . 3.120 2.717 2.555 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 67 THR H 1 68 THR H 4.500 . 4.500 3.992 3.752 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 67 THR HA 1 68 THR H 3.260 . 3.260 2.146 2.084 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 67 THR HB 1 68 THR H 4.720 . 4.720 4.368 4.237 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 67 THR MG 1 68 THR H 4.760 . 4.760 3.168 2.876 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 67 THR MG 1 92 PHE H 5.970 . 5.970 4.148 3.425 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 68 THR H 1 68 THR HB 4.000 . 4.000 2.531 2.355 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 68 THR H 1 69 THR H 4.610 . 4.610 4.290 4.174 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 68 THR H 1 92 PHE H 4.090 . 4.090 3.398 3.096 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 68 THR H 1 92 PHE QB 5.110 . 5.110 3.235 2.387 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 68 THR H 1 92 PHE O 2.300 . 2.300 1.861 1.758 2.045 0.042 7 0 "[ . 1 . 2 . 3]" 1
343 1 68 THR H 1 93 ARG HA 4.280 . 4.280 3.347 2.860 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 68 THR H 1 93 ARG QG 5.690 . 5.690 4.395 3.129 5.614 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 68 THR H 1 94 ILE H 4.800 . 4.800 4.591 3.907 4.885 0.085 11 0 "[ . 1 . 2 . 3]" 1
346 1 68 THR HA 1 69 THR H 3.200 . 3.200 2.197 2.093 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 68 THR HB 1 92 PHE H 4.210 . 4.210 3.260 2.446 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 68 THR MG 1 69 THR H 4.430 . 4.430 3.046 2.860 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 68 THR MG 1 77 ASP H 6.290 . 6.290 4.431 3.387 5.766 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 68 THR MG 1 92 PHE H 5.290 . 5.290 4.103 3.666 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 68 THR N 1 92 PHE O 3.300 . 3.300 2.802 2.711 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 68 THR O 1 92 PHE H 2.300 . 2.300 1.833 1.757 2.151 0.043 25 0 "[ . 1 . 2 . 3]" 1
353 1 68 THR O 1 92 PHE N 3.300 . 3.300 2.800 2.718 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 69 THR H 1 69 THR MG 4.680 . 4.680 3.030 2.000 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 69 THR H 1 77 ASP H 4.300 . 4.300 3.412 2.787 4.376 0.076 4 0 "[ . 1 . 2 . 3]" 1
356 1 69 THR H 1 77 ASP HA 5.500 . 5.500 4.968 4.436 5.589 0.089 8 0 "[ . 1 . 2 . 3]" 1
357 1 69 THR H 1 77 ASP HB2 4.180 . 4.180 2.788 2.051 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 69 THR H 1 77 ASP QB 3.620 . 3.620 2.542 1.867 3.630 0.010 8 0 "[ . 1 . 2 . 3]" 1
359 1 69 THR H 1 77 ASP HB3 4.180 . 4.180 3.239 2.147 4.241 0.061 3 0 "[ . 1 . 2 . 3]" 1
360 1 69 THR H 1 78 ILE H 5.000 . 5.000 4.441 3.843 5.044 0.044 25 0 "[ . 1 . 2 . 3]" 1
361 1 69 THR HA 1 70 ALA H 3.370 . 3.370 2.162 2.066 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 69 THR HA 1 92 PHE H 4.360 . 4.360 3.368 2.794 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 69 THR HB 1 70 ALA H 4.350 . 4.350 3.938 3.012 4.370 0.020 4 0 "[ . 1 . 2 . 3]" 1
364 1 69 THR MG 1 77 ASP H 6.530 . 6.530 3.751 2.214 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 70 ALA H 1 90 ALA H 4.400 . 4.400 3.397 2.811 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 70 ALA H 1 90 ALA O 2.300 . 2.300 1.935 1.771 2.313 0.029 18 0 "[ . 1 . 2 . 3]" 1
367 1 70 ALA H 1 91 GLU HA 4.090 . 4.090 2.952 2.523 3.399 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 70 ALA H 1 91 GLU QB 5.340 . 5.340 4.582 3.592 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 70 ALA H 1 91 GLU QG 4.550 . 4.550 3.950 2.767 4.596 0.046 22 0 "[ . 1 . 2 . 3]" 1
370 1 70 ALA H 1 92 PHE H 4.800 . 4.800 4.145 3.738 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 70 ALA H 1 92 PHE QD 7.180 . 7.180 4.105 3.219 7.184 0.004 21 0 "[ . 1 . 2 . 3]" 1
372 1 70 ALA HA 1 71 GLY H 3.220 . 3.220 2.151 2.085 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 70 ALA HA 1 78 ILE H 3.870 . 3.870 3.285 2.665 3.878 0.008 30 0 "[ . 1 . 2 . 3]" 1
374 1 70 ALA MB 1 71 GLY H 4.650 . 4.650 3.168 2.640 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 70 ALA MB 1 78 ILE H 5.870 . 5.870 4.320 3.649 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 70 ALA MB 1 90 ALA H 4.810 . 4.810 2.739 2.205 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 70 ALA N 1 90 ALA O 3.300 . 3.300 2.859 2.710 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 70 ALA O 1 90 ALA H 2.300 . 2.300 2.158 1.822 2.352 0.052 13 0 "[ . 1 . 2 . 3]" 1
379 1 70 ALA O 1 90 ALA N 3.300 . 3.300 3.104 2.806 3.313 0.013 13 0 "[ . 1 . 2 . 3]" 1
380 1 71 GLY H 1 76 SER HA 5.500 . 5.500 4.735 3.597 5.515 0.015 22 0 "[ . 1 . 2 . 3]" 1
381 1 71 GLY H 1 76 SER QB 4.480 . 4.480 2.983 2.192 4.547 0.067 4 0 "[ . 1 . 2 . 3]" 1
382 1 71 GLY H 1 78 ILE H 4.800 . 4.800 4.295 3.372 4.823 0.023 21 0 "[ . 1 . 2 . 3]" 1
383 1 71 GLY H 1 78 ILE MD 5.550 . 5.550 4.617 3.151 5.576 0.026 27 0 "[ . 1 . 2 . 3]" 1
384 1 71 GLY H 1 78 ILE QG 5.150 . 5.150 3.795 3.136 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 71 GLY H 1 79 PHE HA 4.530 . 4.530 3.557 2.385 4.600 0.070 30 0 "[ . 1 . 2 . 3]" 1
386 1 71 GLY H 1 80 LEU H 4.400 . 4.400 3.716 2.679 4.440 0.040 27 0 "[ . 1 . 2 . 3]" 1
387 1 71 GLY H 1 80 LEU QB 6.210 . 6.210 4.253 2.559 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 71 GLY QA 1 73 HIS H 5.900 . 5.900 4.153 2.958 5.497 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 71 GLY QA 1 89 HIS H 4.490 . 4.490 2.780 1.947 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 71 GLY HA2 1 89 HIS H 4.360 . 4.360 3.499 2.680 4.421 0.061 24 0 "[ . 1 . 2 . 3]" 1
391 1 71 GLY HA3 1 89 HIS H 4.360 . 4.360 3.068 1.989 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 72 ARG H 1 72 ARG HB2 3.930 . 3.930 3.088 2.393 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 72 ARG H 1 72 ARG HB3 3.930 . 3.930 2.924 2.419 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 72 ARG H 1 72 ARG QD 5.510 . 5.510 4.551 3.970 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 72 ARG H 1 73 HIS H 3.680 . 3.680 2.970 1.754 3.843 0.163 12 0 "[ . 1 . 2 . 3]" 1
396 1 72 ARG H 1 85 VAL MG1 6.530 . 6.530 4.759 2.423 6.567 0.037 14 0 "[ . 1 . 2 . 3]" 1
397 1 72 ARG H 1 85 VAL QG 6.740 . 6.740 3.524 2.416 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 72 ARG H 1 85 VAL MG2 6.530 . 6.530 4.050 2.512 6.063 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 72 ARG QB 1 73 HIS H 4.940 . 4.940 3.361 1.863 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 72 ARG QD 1 73 HIS H 5.790 . 5.790 4.386 2.888 5.814 0.024 21 0 "[ . 1 . 2 . 3]" 1
401 1 72 ARG QG 1 73 HIS H 5.340 . 5.340 3.790 2.149 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 73 HIS H 1 73 HIS HB2 3.970 . 3.970 3.114 2.327 3.990 0.020 16 0 "[ . 1 . 2 . 3]" 1
403 1 73 HIS H 1 73 HIS HB3 3.970 . 3.970 3.579 2.729 4.065 0.095 20 0 "[ . 1 . 2 . 3]" 1
404 1 73 HIS H 1 74 PRO QD 4.780 . 4.780 3.759 2.022 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 75 GLU H 1 75 GLU HB2 4.170 . 4.170 2.874 2.425 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 75 GLU H 1 75 GLU QB 3.530 . 3.530 2.618 2.389 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 75 GLU H 1 75 GLU HB3 4.170 . 4.170 3.497 2.506 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 75 GLU H 1 75 GLU HG2 4.530 . 4.530 3.315 2.047 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 75 GLU H 1 75 GLU QG 3.850 . 3.850 2.674 1.998 3.907 0.057 22 0 "[ . 1 . 2 . 3]" 1
410 1 75 GLU H 1 75 GLU HG3 4.530 . 4.530 3.234 2.016 4.604 0.074 22 0 "[ . 1 . 2 . 3]" 1
411 1 75 GLU H 1 76 SER H 3.390 . 3.390 3.059 1.929 3.519 0.129 6 0 "[ . 1 . 2 . 3]" 1
412 1 75 GLU H 1 76 SER QB 6.100 . 6.100 4.706 3.739 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 75 GLU QB 1 76 SER H 4.130 . 4.130 3.722 2.916 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 75 GLU HB2 1 76 SER H 4.730 . 4.730 4.167 2.994 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 75 GLU HB3 1 76 SER H 4.730 . 4.730 4.270 3.518 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 76 SER H 1 76 SER HB2 4.100 . 4.100 2.869 2.424 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 76 SER H 1 76 SER HB3 4.100 . 4.100 3.546 2.551 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 76 SER H 1 77 ASP H 4.800 . 4.800 4.391 3.830 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 76 SER HA 1 77 ASP H 3.420 . 3.420 2.305 2.035 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 76 SER QB 1 77 ASP H 4.730 . 4.730 2.911 1.964 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 76 SER QB 1 78 ILE H 4.900 . 4.900 3.271 2.590 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 77 ASP H 1 77 ASP HB2 4.020 . 4.020 2.560 2.315 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 77 ASP H 1 77 ASP QB 3.500 . 3.500 2.353 2.212 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 77 ASP H 1 77 ASP HB3 4.020 . 4.020 2.953 2.473 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 77 ASP QB 1 78 ILE H 3.690 . 3.690 2.410 2.068 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 77 ASP HB2 1 78 ILE H 4.220 . 4.220 3.302 2.211 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 77 ASP HB3 1 78 ILE H 4.220 . 4.220 2.788 2.083 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 78 ILE H 1 78 ILE HB 4.050 . 4.050 3.825 3.665 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 78 ILE H 1 78 ILE MD 5.090 . 5.090 3.402 1.788 4.153 0.012 25 0 "[ . 1 . 2 . 3]" 1
430 1 78 ILE H 1 78 ILE HG12 4.040 . 4.040 2.662 2.008 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 78 ILE H 1 79 PHE H 4.820 . 4.820 4.350 4.206 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 78 ILE HA 1 79 PHE H 3.180 . 3.180 2.297 2.085 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 78 ILE HB 1 79 PHE H 4.620 . 4.620 2.684 1.914 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 78 ILE MD 1 79 PHE H 4.960 . 4.960 4.421 2.891 5.012 0.052 11 0 "[ . 1 . 2 . 3]" 1
435 1 78 ILE MD 1 80 LEU H 5.440 . 5.440 5.341 4.074 5.513 0.073 28 0 "[ . 1 . 2 . 3]" 1
436 1 78 ILE QG 1 79 PHE H 4.940 . 4.940 3.816 3.130 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 78 ILE MG 1 79 PHE H 5.630 . 5.630 3.726 3.477 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 79 PHE H 1 79 PHE QE 7.230 . 7.230 4.356 3.776 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 79 PHE H 1 80 LEU H 4.490 . 4.490 4.336 4.187 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 79 PHE HA 1 80 LEU H 3.410 . 3.410 2.101 1.928 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 79 PHE QB 1 80 LEU H 4.960 . 4.960 3.141 2.879 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 79 PHE QD 1 80 LEU H 6.560 . 6.560 4.223 3.657 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 80 LEU H 1 80 LEU HB2 3.970 . 3.970 2.816 2.316 3.973 0.003 5 0 "[ . 1 . 2 . 3]" 1
444 1 80 LEU H 1 80 LEU HB3 3.970 . 3.970 3.322 2.595 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 80 LEU H 1 80 LEU MD1 5.570 . 5.570 3.260 1.865 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 80 LEU H 1 80 LEU MD2 5.570 . 5.570 3.593 1.764 4.749 0.036 25 0 "[ . 1 . 2 . 3]" 1
447 1 80 LEU H 1 80 LEU HG 4.580 . 4.580 3.779 2.351 4.664 0.084 1 0 "[ . 1 . 2 . 3]" 1
448 1 80 LEU H 1 81 ASP H 4.680 . 4.680 4.055 1.775 4.563 0.025 5 0 "[ . 1 . 2 . 3]" 1
449 1 80 LEU HA 1 81 ASP H 3.100 . 3.100 2.363 2.039 3.355 0.255 1 0 "[ . 1 . 2 . 3]" 1
450 1 80 LEU QB 1 81 ASP H 4.780 . 4.780 3.059 1.774 3.992 0.026 1 0 "[ . 1 . 2 . 3]" 1
451 1 80 LEU QB 1 82 ASP H 6.120 . 6.120 3.860 2.298 6.142 0.022 17 0 "[ . 1 . 2 . 3]" 1
452 1 80 LEU HB2 1 81 ASP H 4.560 . 4.560 3.914 2.844 4.622 0.062 28 0 "[ . 1 . 2 . 3]" 1
453 1 80 LEU HB3 1 81 ASP H 4.560 . 4.560 3.362 1.781 4.574 0.019 1 0 "[ . 1 . 2 . 3]" 1
454 1 80 LEU QD 1 81 ASP H 5.870 . 5.870 3.814 2.180 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 80 LEU MD1 1 81 ASP H 5.740 . 5.740 4.377 2.191 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 80 LEU MD2 1 81 ASP H 5.740 . 5.740 4.503 2.808 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 80 LEU HG 1 81 ASP H 4.730 . 4.730 4.239 2.244 4.829 0.099 6 0 "[ . 1 . 2 . 3]" 1
458 1 81 ASP H 1 81 ASP HB2 3.550 . 3.550 2.946 2.372 3.658 0.108 28 0 "[ . 1 . 2 . 3]" 1
459 1 81 ASP H 1 81 ASP QB 3.080 . 3.080 2.500 2.204 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 81 ASP H 1 81 ASP HB3 3.550 . 3.550 2.749 2.305 3.591 0.041 27 0 "[ . 1 . 2 . 3]" 1
461 1 81 ASP H 1 82 ASP H 4.230 . 4.230 3.249 1.745 4.289 0.059 24 0 "[ . 1 . 2 . 3]" 1
462 1 81 ASP H 1 133 PHE QD 7.620 . 7.620 5.985 4.056 7.404 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 81 ASP H 1 133 PHE QE 6.440 . 6.440 5.637 2.497 6.502 0.062 30 0 "[ . 1 . 2 . 3]" 1
464 1 81 ASP HA 1 82 ASP H 3.560 . 3.560 2.493 1.873 3.574 0.014 14 0 "[ . 1 . 2 . 3]" 1
465 1 81 ASP QB 1 82 ASP H 4.000 . 4.000 3.687 2.370 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 81 ASP HB2 1 82 ASP H 4.550 . 4.550 4.349 3.812 4.583 0.033 26 0 "[ . 1 . 2 . 3]" 1
467 1 81 ASP HB3 1 82 ASP H 4.550 . 4.550 4.026 2.394 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 82 ASP H 1 82 ASP QB 3.670 . 3.670 2.556 2.232 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 82 ASP H 1 83 VAL H 4.820 . 4.820 3.996 1.947 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 82 ASP H 1 85 VAL HB 4.850 . 4.850 3.891 1.808 4.925 0.075 20 0 "[ . 1 . 2 . 3]" 1
471 1 82 ASP H 1 85 VAL MG1 6.530 . 6.530 3.849 1.808 5.844 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 82 ASP H 1 85 VAL QG 6.410 . 6.410 3.278 1.806 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 82 ASP H 1 85 VAL MG2 6.530 . 6.530 4.142 2.297 5.937 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 82 ASP H 1 133 PHE QE 5.720 . 5.720 4.818 1.963 5.781 0.061 24 0 "[ . 1 . 2 . 3]" 1
475 1 82 ASP HA 1 83 VAL H 3.450 . 3.450 2.682 2.225 3.487 0.037 28 0 "[ . 1 . 2 . 3]" 1
476 1 82 ASP QB 1 83 VAL H 4.140 . 4.140 2.990 1.905 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 82 ASP QB 1 84 THR H 4.720 . 4.720 3.435 2.339 4.834 0.114 5 0 "[ . 1 . 2 . 3]" 1
478 1 82 ASP HB2 1 84 THR H 5.460 . 5.460 4.385 2.485 5.592 0.132 1 0 "[ . 1 . 2 . 3]" 1
479 1 82 ASP HB3 1 84 THR H 5.460 . 5.460 3.782 2.708 5.525 0.065 5 0 "[ . 1 . 2 . 3]" 1
480 1 83 VAL HB 1 84 THR H 4.530 . 4.530 3.942 2.556 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 83 VAL QG 1 84 THR H 5.530 . 5.530 2.755 2.089 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 83 VAL QG 1 108 ASN QD 7.790 . 7.790 4.561 1.798 6.797 0.002 8 0 "[ . 1 . 2 . 3]" 1
483 1 83 VAL MG1 1 84 THR H 5.510 . 5.510 3.178 2.105 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 83 VAL MG2 1 84 THR H 5.510 . 5.510 3.663 2.344 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 84 THR H 1 85 VAL H 3.940 . 3.940 2.847 2.154 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 84 THR H 1 85 VAL HB 5.500 . 5.500 4.431 3.762 5.545 0.045 11 0 "[ . 1 . 2 . 3]" 1
487 1 84 THR HA 1 108 ASN QD 4.470 . 4.470 4.182 2.904 4.646 0.176 17 0 "[ . 1 . 2 . 3]" 1
488 1 84 THR MG 1 85 VAL H 5.510 . 5.510 4.032 2.812 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 85 VAL H 1 85 VAL HB 3.510 . 3.510 2.786 2.433 3.590 0.080 11 0 "[ . 1 . 2 . 3]" 1
490 1 85 VAL H 1 86 SER H 4.850 . 4.850 4.439 4.152 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 85 VAL HA 1 86 SER H 3.590 . 3.590 2.138 1.961 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 85 VAL QG 1 86 SER H 5.780 . 5.780 2.620 2.341 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 85 VAL MG1 1 86 SER H 5.370 . 5.370 3.700 2.398 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 85 VAL MG2 1 86 SER H 5.370 . 5.370 2.934 2.364 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 86 SER H 1 89 HIS QB 5.190 . 5.190 2.916 2.066 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 86 SER H 1 89 HIS HE1 4.800 . 4.800 4.280 3.150 4.845 0.045 12 0 "[ . 1 . 2 . 3]" 1
497 1 88 ARG H 1 88 ARG QD 4.950 . 4.950 3.589 1.750 4.807 0.050 5 0 "[ . 1 . 2 . 3]" 1
498 1 88 ARG H 1 88 ARG QG 4.250 . 4.250 3.249 2.094 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 88 ARG HB2 1 89 HIS H 5.350 . 5.350 4.015 2.421 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 88 ARG HB3 1 89 HIS H 5.350 . 5.350 4.021 2.292 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 88 ARG QD 1 89 HIS H 6.220 . 6.220 4.864 3.602 6.029 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 88 ARG QG 1 89 HIS H 5.620 . 5.620 4.220 3.006 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 89 HIS H 1 90 ALA H 3.590 . 3.590 2.552 2.112 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 89 HIS H 1 104 VAL QG 6.850 . 6.850 3.684 2.791 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 89 HIS QB 1 90 ALA H 4.300 . 4.300 2.163 1.892 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 89 HIS HD2 1 90 ALA H 4.320 . 4.320 3.491 2.920 4.380 0.060 5 0 "[ . 1 . 2 . 3]" 1
507 1 89 HIS HE2 1 110 THR MG 5.830 . 5.830 4.107 2.839 5.854 0.024 19 0 "[ . 1 . 2 . 3]" 1
508 1 89 HIS HE2 1 130 ILE MG 5.830 . 5.830 3.570 2.131 5.867 0.037 18 0 "[ . 1 . 2 . 3]" 1
509 1 90 ALA H 1 104 VAL QG 6.370 . 6.370 3.795 3.039 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 90 ALA HA 1 91 GLU H 3.430 . 3.430 2.209 2.068 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 90 ALA HA 1 104 VAL H 3.490 . 3.490 2.664 2.153 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 90 ALA HA 1 105 GLY H 4.650 . 4.650 4.291 3.780 4.754 0.104 17 0 "[ . 1 . 2 . 3]" 1
513 1 90 ALA MB 1 91 GLU H 4.400 . 4.400 2.831 2.256 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 90 ALA MB 1 92 PHE H 6.150 . 6.150 4.757 4.595 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 90 ALA MB 1 102 VAL H 6.440 . 6.440 4.450 3.867 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 90 ALA MB 1 104 VAL H 4.870 . 4.870 3.955 3.289 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 91 GLU H 1 91 GLU HB2 4.200 . 4.200 2.754 2.345 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 91 GLU H 1 91 GLU QB 3.540 . 3.540 2.526 2.315 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 91 GLU H 1 91 GLU HB3 4.200 . 4.200 3.312 2.527 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 91 GLU H 1 101 VAL QG 6.640 . 6.640 3.821 3.010 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 91 GLU H 1 102 VAL H 4.120 . 4.120 3.278 2.930 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 91 GLU H 1 102 VAL QG 6.690 . 6.690 3.348 2.576 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 91 GLU H 1 102 VAL O 2.300 . 2.300 1.901 1.750 2.336 0.050 8 0 "[ . 1 . 2 . 3]" 1
524 1 91 GLU H 1 104 VAL H 3.950 . 3.950 3.945 3.710 4.054 0.104 6 0 "[ . 1 . 2 . 3]" 1
525 1 91 GLU H 1 104 VAL MG1 5.620 . 5.620 3.985 2.912 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 91 GLU H 1 104 VAL QG 6.130 . 6.130 3.192 2.704 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 91 GLU H 1 104 VAL MG2 5.620 . 5.620 3.611 2.782 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 91 GLU HA 1 92 PHE H 3.300 . 3.300 2.106 2.036 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 91 GLU QB 1 92 PHE H 3.850 . 3.850 3.364 2.968 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 91 GLU QB 1 93 ARG H 5.340 . 5.340 4.838 4.308 5.352 0.012 17 0 "[ . 1 . 2 . 3]" 1
531 1 91 GLU HB2 1 92 PHE H 4.460 . 4.460 4.185 4.055 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 91 GLU HB3 1 92 PHE H 4.460 . 4.460 3.586 3.051 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 91 GLU N 1 102 VAL O 3.300 . 3.300 2.863 2.732 3.318 0.018 19 0 "[ . 1 . 2 . 3]" 1
534 1 91 GLU O 1 102 VAL H 2.300 . 2.300 1.945 1.788 2.156 0.012 7 0 "[ . 1 . 2 . 3]" 1
535 1 91 GLU O 1 102 VAL N 3.300 . 3.300 2.913 2.758 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 92 PHE H 1 93 ARG H 4.510 . 4.510 4.239 4.153 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 92 PHE HA 1 93 ARG H 3.240 . 3.240 2.139 2.049 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 92 PHE HA 1 102 VAL H 3.960 . 3.960 3.527 3.152 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 92 PHE QB 1 93 ARG H 4.640 . 4.640 3.404 3.232 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 92 PHE QD 1 93 ARG H 7.020 . 7.020 4.422 3.106 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 92 PHE QD 1 102 VAL H 7.460 . 7.460 5.127 4.421 5.635 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 93 ARG H 1 93 ARG HB2 3.950 . 3.950 2.682 2.227 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 93 ARG H 1 93 ARG HB3 3.950 . 3.950 3.415 2.527 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 93 ARG H 1 93 ARG QG 4.890 . 4.890 3.140 2.332 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 93 ARG H 1 94 ILE H 4.610 . 4.610 4.317 4.158 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 93 ARG H 1 100 GLU H 4.380 . 4.380 3.530 3.134 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 93 ARG H 1 100 GLU O 2.300 . 2.300 1.877 1.769 2.189 0.031 21 0 "[ . 1 . 2 . 3]" 1
548 1 93 ARG H 1 101 VAL HA 4.010 . 4.010 3.033 2.664 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 93 ARG H 1 101 VAL HB 5.500 . 5.500 4.703 3.940 5.567 0.067 2 0 "[ . 1 . 2 . 3]" 1
550 1 93 ARG H 1 101 VAL QG 6.620 . 6.620 4.158 3.151 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 93 ARG H 1 102 VAL H 4.370 . 4.370 4.218 3.838 4.410 0.040 30 0 "[ . 1 . 2 . 3]" 1
552 1 93 ARG H 1 102 VAL QG 7.030 . 7.030 4.198 3.556 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 93 ARG HA 1 94 ILE H 3.290 . 3.290 2.155 2.059 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 93 ARG QB 1 94 ILE H 4.510 . 4.510 3.158 2.558 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 93 ARG HB2 1 94 ILE H 4.400 . 4.400 4.042 2.609 4.417 0.017 8 0 "[ . 1 . 2 . 3]" 1
556 1 93 ARG HB3 1 94 ILE H 4.400 . 4.400 3.364 2.651 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 93 ARG N 1 100 GLU O 3.300 . 3.300 2.821 2.722 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 93 ARG O 1 100 GLU H 2.300 . 2.300 1.935 1.749 2.323 0.051 17 0 "[ . 1 . 2 . 3]" 1
559 1 93 ARG O 1 100 GLU N 3.300 . 3.300 2.887 2.729 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 94 ILE H 1 94 ILE MD 5.370 . 5.370 3.913 1.894 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 94 ILE H 1 95 ASN H 4.490 . 4.490 4.225 4.000 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 94 ILE H 1 100 GLU H 5.450 . 5.450 4.883 4.697 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 94 ILE HA 1 95 ASN H 2.940 . 2.940 2.062 1.947 2.168 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 94 ILE HA 1 100 GLU H 4.010 . 4.010 3.127 2.532 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 94 ILE HB 1 95 ASN H 4.480 . 4.480 3.770 2.858 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 94 ILE MD 1 95 ASN H 4.270 . 4.270 3.433 2.057 4.385 0.115 4 0 "[ . 1 . 2 . 3]" 1
567 1 94 ILE MD 1 96 GLU H 5.520 . 5.520 4.392 2.823 5.550 0.030 27 0 "[ . 1 . 2 . 3]" 1
568 1 94 ILE QG 1 95 ASN H 5.260 . 5.260 3.597 2.457 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 94 ILE MG 1 95 ASN H 5.630 . 5.630 4.041 3.715 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 95 ASN H 1 95 ASN HB2 3.570 . 3.570 2.886 2.392 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 95 ASN H 1 95 ASN HB3 3.570 . 3.570 2.625 2.263 3.622 0.052 12 0 "[ . 1 . 2 . 3]" 1
572 1 95 ASN H 1 97 GLY H 4.900 . 4.900 4.502 3.636 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 95 ASN H 1 98 GLU H 3.600 . 3.600 3.549 3.016 3.683 0.083 15 0 "[ . 1 . 2 . 3]" 1
574 1 95 ASN H 1 98 GLU O 2.300 . 2.300 2.044 1.758 2.340 0.042 16 0 "[ . 1 . 2 . 3]" 1
575 1 95 ASN H 1 99 PHE HA 3.940 . 3.940 2.796 1.997 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 95 ASN H 1 99 PHE QD 6.580 . 6.580 4.123 2.134 5.208 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 95 ASN H 1 100 GLU H 4.260 . 4.260 3.985 3.442 4.327 0.067 16 0 "[ . 1 . 2 . 3]" 1
578 1 95 ASN HA 1 96 GLU H 3.080 . 3.080 2.236 2.087 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 95 ASN HA 1 97 GLY H 4.170 . 4.170 4.027 3.666 4.298 0.128 17 0 "[ . 1 . 2 . 3]" 1
580 1 95 ASN HA 1 98 GLU H 4.580 . 4.580 4.553 4.339 4.668 0.088 13 0 "[ . 1 . 2 . 3]" 1
581 1 95 ASN QB 1 96 GLU H 5.260 . 5.260 3.490 2.665 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 95 ASN QB 1 98 GLU H 4.910 . 4.910 2.359 1.859 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 95 ASN HB2 1 98 GLU H 4.580 . 4.580 3.964 2.258 4.705 0.125 11 0 "[ . 1 . 2 . 3]" 1
584 1 95 ASN HB3 1 98 GLU H 4.580 . 4.580 2.412 1.866 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 95 ASN N 1 98 GLU O 3.300 . 3.300 2.913 2.692 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 96 GLU H 1 96 GLU HG2 4.240 . 4.240 2.549 1.843 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 96 GLU H 1 96 GLU QG 3.520 . 3.520 2.200 1.818 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 96 GLU H 1 96 GLU HG3 4.240 . 4.240 3.129 1.825 4.263 0.023 11 0 "[ . 1 . 2 . 3]" 1
589 1 96 GLU H 1 97 GLY H 3.850 . 3.850 2.853 2.372 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 96 GLU HA 1 97 GLY H 3.640 . 3.640 3.366 2.884 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 96 GLU HA 1 98 GLU H 4.920 . 4.920 4.725 4.126 4.986 0.066 13 0 "[ . 1 . 2 . 3]" 1
592 1 96 GLU QB 1 97 GLY H 4.160 . 4.160 3.648 2.652 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 96 GLU QG 1 97 GLY H 3.550 . 3.550 2.894 2.084 3.711 0.161 12 0 "[ . 1 . 2 . 3]" 1
594 1 97 GLY H 1 98 GLU H 3.360 . 3.360 2.389 1.913 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 97 GLY H 1 98 GLU HA 5.020 . 5.020 4.852 4.283 5.090 0.070 12 0 "[ . 1 . 2 . 3]" 1
596 1 98 GLU H 1 98 GLU HB2 3.770 . 3.770 3.144 2.585 3.848 0.078 19 0 "[ . 1 . 2 . 3]" 1
597 1 98 GLU H 1 98 GLU QB 3.200 . 3.200 2.843 2.540 3.210 0.010 17 0 "[ . 1 . 2 . 3]" 1
598 1 98 GLU H 1 98 GLU HB3 3.770 . 3.770 3.534 2.902 3.866 0.096 13 0 "[ . 1 . 2 . 3]" 1
599 1 98 GLU H 1 99 PHE H 4.390 . 4.390 4.288 3.894 4.405 0.015 22 0 "[ . 1 . 2 . 3]" 1
600 1 98 GLU H 1 99 PHE QD 7.540 . 7.540 5.184 4.265 5.964 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 98 GLU HA 1 99 PHE H 3.000 . 3.000 2.384 1.963 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 98 GLU QB 1 99 PHE H 3.470 . 3.470 2.685 2.014 3.485 0.015 16 0 "[ . 1 . 2 . 3]" 1
603 1 98 GLU HB2 1 99 PHE H 3.950 . 3.950 3.556 2.025 3.992 0.042 6 0 "[ . 1 . 2 . 3]" 1
604 1 98 GLU HB3 1 99 PHE H 3.950 . 3.950 2.980 2.044 4.016 0.066 17 0 "[ . 1 . 2 . 3]" 1
605 1 98 GLU QG 1 99 PHE H 4.180 . 4.180 3.302 1.763 4.244 0.064 17 0 "[ . 1 . 2 . 3]" 1
606 1 99 PHE H 1 99 PHE HB2 3.810 . 3.810 2.581 2.370 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 99 PHE H 1 99 PHE HB3 3.810 . 3.810 3.676 3.600 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 99 PHE H 1 99 PHE QD 5.280 . 5.280 2.678 2.134 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 99 PHE H 1 121 VAL QG 5.720 . 5.720 3.385 2.595 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 99 PHE HA 1 100 GLU H 3.060 . 3.060 2.229 2.061 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 99 PHE QB 1 100 GLU H 4.720 . 4.720 3.195 2.860 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 99 PHE HB2 1 100 GLU H 4.480 . 4.480 4.141 3.515 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 99 PHE HB3 1 100 GLU H 4.480 . 4.480 3.340 2.921 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 99 PHE QD 1 100 GLU H 6.800 . 6.800 4.388 3.788 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 99 PHE O 1 122 MET H 2.300 . 2.300 1.949 1.762 2.315 0.038 8 0 "[ . 1 . 2 . 3]" 1
616 1 99 PHE O 1 122 MET N 3.300 . 3.300 2.844 2.711 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 100 GLU H 1 100 GLU QB 3.520 . 3.520 2.572 2.371 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 100 GLU H 1 101 VAL H 4.550 . 4.550 4.304 4.193 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 100 GLU H 1 121 VAL QG 7.280 . 7.280 4.956 4.328 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 100 GLU HA 1 101 VAL H 3.280 . 3.280 2.154 1.988 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 100 GLU HA 1 122 MET H 3.620 . 3.620 2.759 1.955 3.649 0.029 5 0 "[ . 1 . 2 . 3]" 1
622 1 100 GLU QB 1 101 VAL H 3.990 . 3.990 3.475 2.678 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 100 GLU QB 1 122 MET H 5.340 . 5.340 4.540 3.640 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 100 GLU HB2 1 101 VAL H 4.630 . 4.630 4.099 2.729 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 100 GLU HB3 1 101 VAL H 4.630 . 4.630 3.872 2.874 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 100 GLU QG 1 101 VAL H 3.480 . 3.480 3.029 2.537 3.632 0.152 17 0 "[ . 1 . 2 . 3]" 1
627 1 101 VAL H 1 101 VAL HB 4.040 . 4.040 3.137 2.597 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 101 VAL H 1 102 VAL QG 6.570 . 6.570 3.969 3.562 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 101 VAL H 1 119 ALA HA 5.000 . 5.000 4.821 4.532 5.058 0.058 28 0 "[ . 1 . 2 . 3]" 1
630 1 101 VAL H 1 120 GLN O 2.300 . 2.300 1.919 1.751 2.221 0.049 10 0 "[ . 1 . 2 . 3]" 1
631 1 101 VAL H 1 121 VAL HA 3.890 . 3.890 3.448 3.097 3.910 0.020 15 0 "[ . 1 . 2 . 3]" 1
632 1 101 VAL H 1 122 MET H 4.060 . 4.060 3.699 3.049 4.118 0.058 20 0 "[ . 1 . 2 . 3]" 1
633 1 101 VAL HA 1 102 VAL H 3.220 . 3.220 2.119 2.051 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 101 VAL HB 1 102 VAL H 4.320 . 4.320 4.155 3.154 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 101 VAL QG 1 102 VAL H 5.510 . 5.510 2.732 2.549 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 101 VAL QG 1 122 MET H 6.750 . 6.750 3.672 3.079 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 101 VAL QG 1 123 GLN H 7.560 . 7.560 4.715 3.857 5.656 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 101 VAL N 1 120 GLN O 3.300 . 3.300 2.893 2.704 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 101 VAL O 1 120 GLN H 2.300 . 2.300 1.923 1.775 2.093 0.025 10 0 "[ . 1 . 2 . 3]" 1
640 1 101 VAL O 1 120 GLN N 3.300 . 3.300 2.875 2.743 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 102 VAL H 1 102 VAL HB 3.800 . 3.800 3.259 2.610 3.818 0.018 22 0 "[ . 1 . 2 . 3]" 1
642 1 102 VAL HA 1 103 ASP H 3.210 . 3.210 2.152 2.056 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 102 VAL HA 1 120 GLN H 3.960 . 3.960 3.516 3.244 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 102 VAL HB 1 103 ASP H 4.620 . 4.620 3.690 2.939 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 102 VAL QG 1 103 ASP H 6.320 . 6.320 3.130 2.606 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 102 VAL QG 1 104 VAL H 6.720 . 6.720 4.093 3.527 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 102 VAL QG 1 119 ALA H 7.470 . 7.470 4.731 4.162 5.568 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 102 VAL QG 1 120 GLN H 6.320 . 6.320 3.775 3.301 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 103 ASP H 1 103 ASP HB2 3.740 . 3.740 2.861 2.318 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 103 ASP H 1 103 ASP QB 3.260 . 3.260 2.305 2.166 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 103 ASP H 1 103 ASP HB3 3.740 . 3.740 2.506 2.239 3.520 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 103 ASP H 1 110 THR HB 5.000 . 5.000 4.891 3.932 5.171 0.171 24 0 "[ . 1 . 2 . 3]" 1
653 1 103 ASP H 1 119 ALA HA 4.000 . 4.000 3.146 2.623 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 103 ASP H 1 119 ALA MB 5.180 . 5.180 3.934 2.737 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 103 ASP H 1 120 GLN H 5.400 . 5.400 4.849 4.344 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 103 ASP HA 1 104 VAL H 3.180 . 3.180 2.112 2.010 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 103 ASP HA 1 105 GLY H 4.020 . 4.020 3.392 2.980 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 103 ASP QB 1 104 VAL H 3.850 . 3.850 3.693 2.876 3.882 0.032 18 0 "[ . 1 . 2 . 3]" 1
659 1 103 ASP QB 1 105 GLY H 4.260 . 4.260 3.765 2.674 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 103 ASP QB 1 110 THR H 5.880 . 5.880 3.834 2.148 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 103 ASP HB2 1 104 VAL H 4.440 . 4.440 4.145 2.936 4.449 0.009 18 0 "[ . 1 . 2 . 3]" 1
662 1 103 ASP HB3 1 104 VAL H 4.440 . 4.440 4.204 3.651 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 104 VAL H 1 104 VAL HB 4.130 . 4.130 3.702 2.741 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 104 VAL H 1 104 VAL MG1 4.600 . 4.600 2.890 2.076 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 104 VAL H 1 104 VAL MG2 4.600 . 4.600 2.181 1.937 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 104 VAL H 1 105 GLY H 3.620 . 3.620 2.186 1.893 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 104 VAL H 1 106 SER H 5.500 . 5.500 4.388 3.444 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 104 VAL QG 1 105 GLY H 5.850 . 5.850 3.163 2.577 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 104 VAL QG 1 106 SER H 6.840 . 6.840 4.531 3.823 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 104 VAL MG1 1 105 GLY H 5.390 . 5.390 4.236 3.163 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 104 VAL MG2 1 105 GLY H 5.390 . 5.390 3.303 2.606 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 105 GLY H 1 106 SER H 3.350 . 3.350 2.606 1.819 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 105 GLY H 1 106 SER HA 4.840 . 4.840 4.297 3.958 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 105 GLY H 1 106 SER QB 6.060 . 6.060 4.544 3.376 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 106 SER HA 1 107 LEU H 3.620 . 3.620 2.965 2.143 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 106 SER HA 1 108 ASN H 4.650 . 4.650 3.820 3.114 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 106 SER HA 1 109 GLY H 4.580 . 4.580 3.371 2.746 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 106 SER QB 1 107 LEU H 4.770 . 4.770 3.405 2.773 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 106 SER QB 1 109 GLY H 5.140 . 5.140 4.167 2.052 5.174 0.035 18 0 "[ . 1 . 2 . 3]" 1
680 1 106 SER HB2 1 107 LEU H 4.600 . 4.600 3.674 2.849 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 106 SER HB3 1 107 LEU H 4.600 . 4.600 4.216 3.298 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 107 LEU H 1 107 LEU HB2 3.880 . 3.880 2.445 2.157 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 107 LEU H 1 107 LEU HB3 3.880 . 3.880 3.139 2.406 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 107 LEU H 1 107 LEU HG 4.420 . 4.420 3.702 2.128 4.459 0.039 4 0 "[ . 1 . 2 . 3]" 1
685 1 107 LEU H 1 108 ASN H 4.100 . 4.100 2.492 2.141 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 107 LEU H 1 109 GLY H 4.530 . 4.530 3.738 3.337 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 107 LEU QB 1 108 ASN H 4.330 . 4.330 2.558 2.195 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 107 LEU HB2 1 108 ASN H 4.020 . 4.020 3.125 2.299 4.038 0.018 12 0 "[ . 1 . 2 . 3]" 1
689 1 107 LEU HB2 1 109 GLY H 5.500 . 5.500 5.028 4.197 5.577 0.077 29 0 "[ . 1 . 2 . 3]" 1
690 1 107 LEU HB3 1 108 ASN H 4.020 . 4.020 3.169 2.215 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 107 LEU HB3 1 109 GLY H 5.500 . 5.500 5.116 4.178 5.593 0.093 8 0 "[ . 1 . 2 . 3]" 1
692 1 107 LEU QD 1 108 ASN H 6.640 . 6.640 3.814 3.289 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 107 LEU QD 1 109 GLY H 7.570 . 7.570 5.046 4.411 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 108 ASN H 1 108 ASN HB2 3.820 . 3.820 2.662 2.235 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 108 ASN H 1 108 ASN HB3 3.820 . 3.820 3.084 2.375 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 108 ASN H 1 108 ASN QD 5.320 . 5.320 4.160 2.348 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 108 ASN H 1 109 GLY H 3.770 . 3.770 2.247 1.835 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 108 ASN H 1 109 GLY QA 5.590 . 5.590 4.097 3.637 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 108 ASN QB 1 109 GLY H 4.930 . 4.930 2.711 2.085 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 108 ASN HB2 1 109 GLY H 4.620 . 4.620 3.376 2.106 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 108 ASN HB3 1 109 GLY H 4.620 . 4.620 3.233 2.195 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 109 GLY H 1 110 THR H 4.000 . 4.000 3.404 2.192 4.017 0.017 10 0 "[ . 1 . 2 . 3]" 1
703 1 109 GLY H 1 110 THR MG 6.530 . 6.530 5.707 3.461 6.295 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 110 THR H 1 110 THR HB 3.570 . 3.570 2.612 2.346 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 110 THR H 1 111 TYR H 4.670 . 4.670 4.405 4.293 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 110 THR HA 1 111 TYR H 3.440 . 3.440 2.179 2.060 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 110 THR HB 1 111 TYR H 4.460 . 4.460 4.136 3.298 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 110 THR MG 1 111 TYR H 4.450 . 4.450 2.909 2.413 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 111 TYR H 1 111 TYR HB2 3.950 . 3.950 2.716 2.422 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 111 TYR H 1 111 TYR HB3 3.950 . 3.950 3.738 3.377 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 111 TYR H 1 112 VAL H 4.650 . 4.650 4.361 4.261 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 111 TYR H 1 129 GLN H 3.600 . 3.600 3.359 2.963 3.664 0.064 21 0 "[ . 1 . 2 . 3]" 1
713 1 111 TYR H 1 129 GLN QB 4.910 . 4.910 3.359 2.790 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 111 TYR H 1 129 GLN O 2.300 . 2.300 1.921 1.770 2.314 0.030 17 0 "[ . 1 . 2 . 3]" 1
715 1 111 TYR H 1 130 ILE HA 4.800 . 4.800 3.469 2.687 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 111 TYR HA 1 112 VAL H 3.300 . 3.300 2.218 2.073 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 111 TYR HA 1 117 ARG H 4.040 . 4.040 3.202 2.189 4.078 0.038 6 0 "[ . 1 . 2 . 3]" 1
718 1 111 TYR QB 1 112 VAL H 4.530 . 4.530 2.875 2.129 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 111 TYR QB 1 115 GLU H 5.730 . 5.730 3.470 2.806 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 111 TYR QB 1 129 GLN H 5.830 . 5.830 3.322 2.488 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 111 TYR HB2 1 112 VAL H 4.190 . 4.190 3.840 2.834 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 111 TYR HB3 1 112 VAL H 4.190 . 4.190 3.003 2.156 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 111 TYR QD 1 112 VAL H 6.520 . 6.520 4.210 3.563 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 111 TYR QD 1 115 GLU H 7.640 . 7.640 4.786 3.841 6.701 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 111 TYR QD 1 117 ARG H 6.690 . 6.690 4.413 1.862 5.867 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 111 TYR N 1 129 GLN O 3.300 . 3.300 2.871 2.715 3.229 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 111 TYR O 1 129 GLN H 2.300 . 2.300 1.828 1.727 2.129 0.073 22 0 "[ . 1 . 2 . 3]" 1
728 1 111 TYR O 1 129 GLN N 3.300 . 3.300 2.760 2.649 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 112 VAL H 1 112 VAL HB 3.880 . 3.880 3.014 2.495 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 112 VAL H 1 114 ARG H 5.110 . 5.110 4.252 3.722 5.173 0.063 6 0 "[ . 1 . 2 . 3]" 1
731 1 112 VAL H 1 115 GLU H 3.840 . 3.840 3.173 2.848 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 112 VAL H 1 115 GLU QB 4.780 . 4.780 3.686 3.026 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 112 VAL H 1 115 GLU O 2.300 . 2.300 1.905 1.772 2.346 0.046 8 0 "[ . 1 . 2 . 3]" 1
734 1 112 VAL H 1 116 PRO HA 4.300 . 4.300 3.711 3.232 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 112 VAL H 1 117 ARG H 4.130 . 4.130 3.583 2.764 4.214 0.084 7 0 "[ . 1 . 2 . 3]" 1
736 1 112 VAL H 1 117 ARG QG 6.120 . 6.120 3.967 2.462 6.174 0.054 6 0 "[ . 1 . 2 . 3]" 1
737 1 112 VAL H 1 129 GLN QB 6.220 . 6.220 5.285 4.197 6.249 0.029 30 0 "[ . 1 . 2 . 3]" 1
738 1 112 VAL HA 1 114 ARG H 4.720 . 4.720 4.018 3.015 4.831 0.111 28 0 "[ . 1 . 2 . 3]" 1
739 1 112 VAL HA 1 129 GLN H 4.280 . 4.280 3.139 2.637 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 112 VAL QG 1 113 ASN H 5.920 . 5.920 2.765 2.257 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 112 VAL QG 1 113 ASN QD 7.390 . 7.390 3.934 1.771 5.444 0.029 5 0 "[ . 1 . 2 . 3]" 1
742 1 112 VAL QG 1 117 ARG H 6.630 . 6.630 3.573 2.710 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 112 VAL QG 1 127 GLU H 6.800 . 6.800 4.314 3.167 5.865 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 112 VAL QG 1 129 GLN H 6.610 . 6.610 4.260 3.637 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 112 VAL MG1 1 113 ASN H 5.660 . 5.660 3.467 2.347 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 112 VAL MG1 1 129 GLN H 6.520 . 6.520 5.047 3.698 5.989 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 112 VAL MG2 1 113 ASN H 5.660 . 5.660 3.440 2.277 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 112 VAL MG2 1 129 GLN H 6.520 . 6.520 4.731 3.862 6.159 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 112 VAL N 1 115 GLU O 3.300 . 3.300 2.837 2.712 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 112 VAL O 1 115 GLU H 2.300 . 2.300 1.980 1.792 2.325 0.025 6 0 "[ . 1 . 2 . 3]" 1
751 1 112 VAL O 1 115 GLU N 3.300 . 3.300 2.890 2.731 3.148 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 113 ASN H 1 114 ARG H 4.170 . 4.170 3.111 2.323 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 113 ASN H 1 115 GLU H 4.530 . 4.530 4.263 3.969 4.659 0.129 30 0 "[ . 1 . 2 . 3]" 1
754 1 113 ASN H 1 127 GLU H 4.400 . 4.400 3.856 2.506 4.402 0.002 21 0 "[ . 1 . 2 . 3]" 1
755 1 113 ASN QB 1 114 ARG H 5.260 . 5.260 3.096 1.785 3.984 0.015 16 0 "[ . 1 . 2 . 3]" 1
756 1 113 ASN QB 1 115 GLU H 5.980 . 5.980 3.578 2.985 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 113 ASN QD 1 126 ASP HA 4.870 . 4.870 3.901 2.685 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 113 ASN QD 1 127 GLU H 4.890 . 4.890 3.332 2.117 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 113 ASN HD21 1 127 GLU H 4.820 . 4.820 3.735 2.471 4.843 0.023 26 0 "[ . 1 . 2 . 3]" 1
760 1 113 ASN HD22 1 127 GLU H 4.820 . 4.820 4.173 2.267 4.943 0.123 30 0 "[ . 1 . 2 . 3]" 1
761 1 114 ARG H 1 114 ARG HB2 4.180 . 4.180 3.312 2.443 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 114 ARG H 1 114 ARG HB3 4.180 . 4.180 3.785 2.425 4.186 0.006 26 0 "[ . 1 . 2 . 3]" 1
763 1 114 ARG H 1 114 ARG QD 5.390 . 5.390 4.557 2.559 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 114 ARG H 1 114 ARG QG 4.720 . 4.720 3.259 2.112 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 114 ARG H 1 115 GLU H 3.980 . 3.980 2.341 1.724 3.100 0.076 12 0 "[ . 1 . 2 . 3]" 1
766 1 115 GLU H 1 115 GLU HB2 3.840 . 3.840 2.681 2.365 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 115 GLU H 1 115 GLU QB 3.360 . 3.360 2.457 2.229 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 115 GLU H 1 115 GLU HB3 3.840 . 3.840 3.237 2.399 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 115 GLU H 1 115 GLU QG 4.480 . 4.480 3.243 2.217 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 115 GLU H 1 116 PRO QD 5.370 . 5.370 4.192 3.832 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 116 PRO HA 1 117 ARG H 2.800 . 2.800 2.243 2.112 2.834 0.034 6 0 "[ . 1 . 2 . 3]" 1
772 1 117 ARG H 1 117 ARG HB2 3.940 . 3.940 2.910 2.429 3.957 0.017 9 0 "[ . 1 . 2 . 3]" 1
773 1 117 ARG H 1 117 ARG HB3 3.940 . 3.940 3.595 2.827 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 117 ARG H 1 117 ARG QG 4.450 . 4.450 3.065 2.420 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 117 ARG H 1 118 ASN H 4.480 . 4.480 4.245 3.339 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 117 ARG QD 1 119 ALA H 5.680 . 5.680 4.455 3.186 5.575 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 118 ASN H 1 119 ALA H 3.660 . 3.660 2.354 1.875 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 118 ASN QB 1 119 ALA H 4.270 . 4.270 2.820 2.025 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 118 ASN HB2 1 119 ALA H 3.990 . 3.990 3.458 2.485 4.044 0.054 8 0 "[ . 1 . 2 . 3]" 1
780 1 118 ASN HB3 1 119 ALA H 3.990 . 3.990 3.318 2.039 4.055 0.065 8 0 "[ . 1 . 2 . 3]" 1
781 1 119 ALA H 1 120 GLN H 4.700 . 4.700 4.252 4.064 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 119 ALA HA 1 120 GLN H 3.160 . 3.160 2.183 2.133 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 119 ALA MB 1 120 GLN H 4.360 . 4.360 2.887 2.746 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 120 GLN H 1 120 GLN HB2 4.000 . 4.000 3.130 2.667 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 120 GLN H 1 120 GLN HB3 4.000 . 4.000 2.941 2.653 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 120 GLN HA 1 121 VAL H 2.990 . 2.990 2.213 2.074 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 120 GLN QB 1 121 VAL H 5.120 . 5.120 3.406 2.634 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 120 GLN QE 1 121 VAL H 4.640 . 4.640 3.311 2.752 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 120 GLN HE21 1 121 VAL H 4.290 . 4.290 3.775 2.889 4.441 0.151 28 0 "[ . 1 . 2 . 3]" 1
790 1 120 GLN HE22 1 121 VAL H 4.290 . 4.290 3.729 3.303 4.468 0.178 14 0 "[ . 1 . 2 . 3]" 1
791 1 120 GLN QG 1 121 VAL H 4.550 . 4.550 2.913 1.987 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 120 GLN HG2 1 121 VAL H 4.290 . 4.290 3.843 1.995 4.318 0.028 17 0 "[ . 1 . 2 . 3]" 1
793 1 120 GLN HG3 1 121 VAL H 4.290 . 4.290 3.324 2.403 4.375 0.085 30 0 "[ . 1 . 2 . 3]" 1
794 1 121 VAL H 1 121 VAL HB 3.150 . 3.150 2.683 2.436 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 121 VAL HA 1 122 MET H 3.240 . 3.240 2.128 2.025 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 121 VAL QG 1 122 MET H 5.370 . 5.370 2.758 2.428 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 122 MET H 1 122 MET HB2 4.180 . 4.180 2.564 2.211 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 122 MET H 1 122 MET HB3 4.180 . 4.180 3.118 2.473 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 122 MET H 1 122 MET HG2 4.880 . 4.880 3.903 2.695 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 122 MET H 1 122 MET QG 5.110 . 5.110 3.209 2.124 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 122 MET H 1 122 MET HG3 4.880 . 4.880 3.614 2.147 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 122 MET HA 1 123 GLN H 3.210 . 3.210 2.123 1.910 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 123 GLN H 1 123 GLN HB2 3.830 . 3.830 2.804 2.248 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 123 GLN H 1 123 GLN QB 3.270 . 3.270 2.387 2.207 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 123 GLN H 1 123 GLN HB3 3.830 . 3.830 2.685 2.352 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 123 GLN H 1 126 ASP H 5.420 . 5.420 5.153 4.179 5.488 0.068 27 0 "[ . 1 . 2 . 3]" 1
807 1 123 GLN H 1 126 ASP QB 4.540 . 4.540 3.925 2.742 4.695 0.155 27 0 "[ . 1 . 2 . 3]" 1
808 1 123 GLN H 1 137 PHE QD 6.780 . 6.780 3.758 2.577 5.697 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 123 GLN H 1 137 PHE QE 6.680 . 6.680 4.656 2.592 6.686 0.006 2 0 "[ . 1 . 2 . 3]" 1
810 1 123 GLN HA 1 124 THR H 2.820 . 2.820 2.191 2.064 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 123 GLN QB 1 124 THR H 3.870 . 3.870 3.589 2.630 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 123 GLN QB 1 126 ASP H 4.810 . 4.810 4.193 3.518 4.857 0.047 2 0 "[ . 1 . 2 . 3]" 1
813 1 123 GLN QG 1 124 THR H 4.290 . 4.290 2.944 2.278 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 124 THR H 1 124 THR HB 3.680 . 3.680 3.132 2.592 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 124 THR H 1 124 THR MG 4.240 . 4.240 2.241 1.856 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 124 THR H 1 125 GLY H 4.730 . 4.730 4.437 4.320 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 124 THR H 1 126 ASP H 5.500 . 5.500 4.899 4.445 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 124 THR H 1 137 PHE QD 6.930 . 6.930 4.450 3.553 5.765 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 124 THR H 1 137 PHE QE 6.610 . 6.610 4.874 3.663 6.674 0.064 24 0 "[ . 1 . 2 . 3]" 1
820 1 124 THR HA 1 125 GLY H 3.370 . 3.370 2.124 2.045 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 124 THR HA 1 126 ASP H 3.830 . 3.830 3.410 3.132 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 124 THR HA 1 139 ALA H 4.300 . 4.300 3.742 2.354 4.335 0.035 29 0 "[ . 1 . 2 . 3]" 1
823 1 124 THR HB 1 139 ALA H 3.930 . 3.930 2.808 2.086 3.950 0.020 24 0 "[ . 1 . 2 . 3]" 1
824 1 124 THR MG 1 125 GLY H 5.240 . 5.240 3.972 3.606 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 125 GLY H 1 126 ASP H 3.460 . 3.460 2.206 1.951 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 125 GLY H 1 126 ASP HA 4.910 . 4.910 4.823 4.662 4.964 0.054 10 0 "[ . 1 . 2 . 3]" 1
827 1 125 GLY H 1 126 ASP QB 4.470 . 4.470 4.262 3.847 4.500 0.030 9 0 "[ . 1 . 2 . 3]" 1
828 1 125 GLY H 1 136 VAL QG 6.690 . 6.690 3.947 3.520 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 125 GLY H 1 137 PHE QD 6.260 . 6.260 3.905 3.202 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 125 GLY H 1 138 LEU HA 4.180 . 4.180 2.529 2.132 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 125 GLY H 1 138 LEU QD 6.070 . 6.070 2.773 1.913 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 125 GLY H 1 139 ALA H 4.850 . 4.850 4.126 3.588 4.891 0.041 20 0 "[ . 1 . 2 . 3]" 1
833 1 126 ASP H 1 126 ASP HB2 3.730 . 3.730 2.760 2.322 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 126 ASP H 1 126 ASP QB 3.090 . 3.090 2.497 2.287 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 126 ASP H 1 126 ASP HB3 3.730 . 3.730 2.995 2.561 3.737 0.007 7 0 "[ . 1 . 2 . 3]" 1
836 1 126 ASP H 1 127 GLU H 4.480 . 4.480 4.416 4.267 4.507 0.027 1 0 "[ . 1 . 2 . 3]" 1
837 1 126 ASP H 1 136 VAL QG 6.230 . 6.230 3.790 3.206 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 126 ASP H 1 137 PHE H 4.800 . 4.800 3.630 3.082 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 126 ASP H 1 137 PHE QB 5.440 . 5.440 3.632 3.231 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 126 ASP H 1 137 PHE QD 6.440 . 6.440 4.311 3.482 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 126 ASP H 1 138 LEU MD1 5.840 . 5.840 4.311 3.510 5.853 0.013 24 0 "[ . 1 . 2 . 3]" 1
842 1 126 ASP H 1 138 LEU QD 6.330 . 6.330 3.963 3.342 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 126 ASP H 1 138 LEU MD2 5.840 . 5.840 5.183 3.362 5.890 0.050 23 0 "[ . 1 . 2 . 3]" 1
844 1 126 ASP HA 1 127 GLU H 3.130 . 3.130 2.505 2.045 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 126 ASP QB 1 127 GLU H 3.540 . 3.540 2.836 1.833 3.554 0.014 5 0 "[ . 1 . 2 . 3]" 1
846 1 126 ASP HB2 1 127 GLU H 4.150 . 4.150 3.793 3.329 4.175 0.025 23 0 "[ . 1 . 2 . 3]" 1
847 1 126 ASP HB3 1 127 GLU H 4.150 . 4.150 2.962 1.841 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 126 ASP O 1 137 PHE H 2.300 . 2.300 2.013 1.751 2.313 0.049 11 0 "[ . 1 . 2 . 3]" 1
849 1 126 ASP O 1 137 PHE N 3.300 . 3.300 2.986 2.725 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 127 GLU H 1 127 GLU HB2 3.860 . 3.860 3.272 2.391 3.884 0.024 24 0 "[ . 1 . 2 . 3]" 1
851 1 127 GLU H 1 127 GLU QB 3.360 . 3.360 2.713 2.246 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 127 GLU H 1 127 GLU HB3 3.860 . 3.860 3.045 2.394 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 127 GLU H 1 127 GLU QG 4.260 . 4.260 2.988 2.026 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 127 GLU H 1 128 ILE QG 5.340 . 5.340 4.499 3.941 5.362 0.022 7 0 "[ . 1 . 2 . 3]" 1
855 1 127 GLU H 1 136 VAL QG 7.430 . 7.430 4.246 3.734 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 127 GLU HA 1 128 ILE H 3.380 . 3.380 2.106 1.959 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 127 GLU QB 1 128 ILE H 4.520 . 4.520 3.204 2.545 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 127 GLU QG 1 128 ILE H 4.130 . 4.130 3.589 2.436 4.210 0.080 30 0 "[ . 1 . 2 . 3]" 1
859 1 128 ILE H 1 128 ILE HB 3.650 . 3.650 2.567 2.494 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 128 ILE H 1 128 ILE HG12 4.510 . 4.510 3.814 2.745 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 128 ILE H 1 128 ILE QG 3.880 . 3.880 2.698 2.342 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 128 ILE H 1 135 LEU H 4.520 . 4.520 3.275 2.764 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 128 ILE H 1 135 LEU QB 5.230 . 5.230 3.478 3.024 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 128 ILE H 1 135 LEU O 2.300 . 2.300 1.785 1.736 1.911 0.064 25 0 "[ . 1 . 2 . 3]" 1
865 1 128 ILE H 1 137 PHE H 4.800 . 4.800 4.178 3.803 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 128 ILE HA 1 129 GLN H 3.280 . 3.280 2.159 2.080 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 128 ILE HB 1 135 LEU H 4.490 . 4.490 3.812 2.841 4.502 0.012 29 0 "[ . 1 . 2 . 3]" 1
868 1 128 ILE MD 1 137 PHE H 6.530 . 6.530 4.389 2.736 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 128 ILE QG 1 129 GLN H 4.620 . 4.620 4.241 4.058 4.709 0.089 19 0 "[ . 1 . 2 . 3]" 1
870 1 128 ILE QG 1 137 PHE H 4.890 . 4.890 4.110 3.499 4.926 0.036 22 0 "[ . 1 . 2 . 3]" 1
871 1 128 ILE MG 1 129 GLN H 4.460 . 4.460 2.751 2.536 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 128 ILE MG 1 135 LEU H 6.230 . 6.230 4.399 3.827 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 128 ILE N 1 135 LEU O 3.300 . 3.300 2.729 2.657 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 128 ILE O 1 135 LEU H 2.300 . 2.300 1.905 1.783 2.148 0.017 11 0 "[ . 1 . 2 . 3]" 1
875 1 128 ILE O 1 135 LEU N 3.300 . 3.300 2.851 2.744 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 129 GLN H 1 129 GLN HB2 4.140 . 4.140 2.824 2.444 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 129 GLN H 1 129 GLN HB3 4.140 . 4.140 2.857 2.393 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 129 GLN HA 1 130 ILE H 3.490 . 3.490 2.086 2.013 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 129 GLN QG 1 130 ILE H 5.300 . 5.300 3.385 2.586 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 130 ILE H 1 130 ILE MD 5.200 . 5.200 3.489 1.738 4.758 0.062 29 0 "[ . 1 . 2 . 3]" 1
881 1 130 ILE H 1 130 ILE HG12 4.570 . 4.570 2.396 1.942 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 130 ILE H 1 130 ILE QG 4.670 . 4.670 2.190 1.893 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 130 ILE H 1 131 GLY H 4.590 . 4.590 4.057 3.866 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 130 ILE H 1 133 PHE O 2.300 . 2.300 2.021 1.808 2.345 0.045 20 0 "[ . 1 . 2 . 3]" 1
885 1 130 ILE H 1 134 ARG HA 4.210 . 4.210 3.322 2.613 4.169 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 130 ILE H 1 135 LEU H 4.780 . 4.780 4.083 3.698 4.803 0.023 20 0 "[ . 1 . 2 . 3]" 1
887 1 130 ILE HA 1 131 GLY H 3.300 . 3.300 2.082 1.999 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 130 ILE MD 1 133 PHE H 6.180 . 6.180 4.668 2.841 5.628 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 130 ILE QG 1 133 PHE H 4.890 . 4.890 3.509 2.751 4.982 0.092 2 0 "[ . 1 . 2 . 3]" 1
890 1 130 ILE MG 1 131 GLY H 5.290 . 5.290 3.930 3.305 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 130 ILE MG 1 133 PHE H 6.530 . 6.530 5.323 3.426 5.817 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 130 ILE N 1 133 PHE O 3.300 . 3.300 2.870 2.707 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 130 ILE O 1 133 PHE H 2.300 . 2.300 2.071 1.876 2.349 0.049 16 0 "[ . 1 . 2 . 3]" 1
894 1 130 ILE O 1 133 PHE N 3.300 . 3.300 3.011 2.838 3.322 0.022 26 0 "[ . 1 . 2 . 3]" 1
895 1 131 GLY H 1 132 LYS H 4.480 . 4.480 4.176 3.798 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 131 GLY QA 1 133 PHE H 5.220 . 5.220 3.454 3.061 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 132 LYS H 1 132 LYS HG2 5.180 . 5.180 4.027 2.116 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 132 LYS H 1 132 LYS HG3 5.180 . 5.180 3.955 2.692 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 132 LYS H 1 133 PHE H 3.850 . 3.850 2.017 1.774 2.250 0.026 8 0 "[ . 1 . 2 . 3]" 1
900 1 132 LYS H 1 133 PHE QD 6.460 . 6.460 3.415 2.773 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 132 LYS QB 1 133 PHE H 5.110 . 5.110 3.409 2.846 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 133 PHE H 1 133 PHE HB2 3.920 . 3.920 2.687 2.392 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 133 PHE H 1 133 PHE HB3 3.920 . 3.920 3.646 3.220 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 133 PHE H 1 133 PHE QE 7.160 . 7.160 4.611 3.841 5.149 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 133 PHE H 1 134 ARG H 4.650 . 4.650 4.493 4.203 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 133 PHE HA 1 134 ARG H 3.110 . 3.110 2.366 2.159 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 133 PHE QB 1 134 ARG H 4.500 . 4.500 2.626 2.097 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 133 PHE HB2 1 134 ARG H 4.300 . 4.300 3.599 2.372 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 133 PHE HB3 1 134 ARG H 4.300 . 4.300 2.811 2.130 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 133 PHE QD 1 134 ARG H 6.610 . 6.610 3.892 3.371 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 134 ARG H 1 135 LEU H 4.510 . 4.510 4.315 4.165 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 134 ARG HA 1 135 LEU H 3.460 . 3.460 2.067 1.990 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 134 ARG QG 1 135 LEU H 5.060 . 5.060 3.800 2.402 4.430 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 135 LEU H 1 135 LEU HG 5.500 . 5.500 4.532 4.189 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 135 LEU HA 1 136 VAL H 3.350 . 3.350 2.254 2.167 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 135 LEU QB 1 136 VAL H 5.200 . 5.200 3.670 2.747 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 135 LEU HB2 1 136 VAL H 4.990 . 4.990 4.222 3.965 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 135 LEU HB3 1 136 VAL H 4.990 . 4.990 4.063 2.802 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 135 LEU QD 1 136 VAL H 6.420 . 6.420 2.818 1.783 4.042 0.017 23 0 "[ . 1 . 2 . 3]" 1
920 1 135 LEU HG 1 136 VAL H 3.890 . 3.890 3.132 2.729 4.117 0.227 23 0 "[ . 1 . 2 . 3]" 1
921 1 136 VAL H 1 136 VAL HB 3.410 . 3.410 2.887 2.588 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 136 VAL H 1 137 PHE H 4.600 . 4.600 4.385 4.212 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 136 VAL H 1 138 LEU QD 7.570 . 7.570 4.519 4.063 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 136 VAL HA 1 137 PHE H 3.160 . 3.160 2.184 2.083 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 136 VAL HB 1 137 PHE H 4.410 . 4.410 4.058 3.846 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 136 VAL QG 1 137 PHE H 5.480 . 5.480 2.505 2.340 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 136 VAL QG 1 138 LEU H 6.840 . 6.840 4.231 3.927 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 137 PHE H 1 137 PHE HB2 3.700 . 3.700 2.885 2.579 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 137 PHE H 1 137 PHE HB3 3.700 . 3.700 2.551 2.354 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 137 PHE H 1 138 LEU MD1 6.530 . 6.530 4.061 3.464 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 137 PHE H 1 138 LEU QD 6.280 . 6.280 3.461 3.171 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 137 PHE H 1 138 LEU MD2 6.530 . 6.530 4.164 3.408 6.025 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 137 PHE HA 1 138 LEU H 3.260 . 3.260 2.171 2.108 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 137 PHE QB 1 138 LEU H 4.990 . 4.990 3.790 3.684 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 137 PHE HB2 1 138 LEU H 4.710 . 4.710 4.307 4.169 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 137 PHE HB3 1 138 LEU H 4.710 . 4.710 4.211 3.965 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 137 PHE QD 1 138 LEU H 6.330 . 6.330 3.532 3.059 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 138 LEU H 1 138 LEU MD1 5.660 . 5.660 3.480 2.363 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 138 LEU H 1 138 LEU MD2 5.660 . 5.660 3.161 2.390 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 138 LEU H 1 138 LEU HG 4.550 . 4.550 4.230 3.061 4.576 0.026 20 0 "[ . 1 . 2 . 3]" 1
941 1 138 LEU H 1 139 ALA H 4.630 . 4.630 4.358 4.226 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 138 LEU HA 1 139 ALA H 3.050 . 3.050 2.249 2.070 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 138 LEU QB 1 139 ALA H 4.120 . 4.120 2.635 2.153 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 138 LEU QD 1 139 ALA H 5.830 . 5.830 3.589 3.243 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 138 LEU HG 1 139 ALA H 4.810 . 4.810 4.668 4.201 4.895 0.085 12 0 "[ . 1 . 2 . 3]" 1
946 1 139 ALA H 1 140 GLY H 4.760 . 4.760 4.239 2.897 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 139 ALA HA 1 140 GLY H 3.000 . 3.000 2.249 2.085 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 139 ALA MB 1 140 GLY H 4.300 . 4.300 3.093 2.440 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 141 PRO HA 1 142 ALA H 2.680 . 2.680 2.068 1.897 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 141 PRO QB 1 142 ALA H 3.250 . 3.250 3.192 2.570 3.351 0.101 9 0 "[ . 1 . 2 . 3]" 1
951 1 141 PRO QB 1 143 GLU H 4.790 . 4.790 4.374 3.936 4.819 0.029 20 0 "[ . 1 . 2 . 3]" 1
952 1 141 PRO HB2 1 142 ALA H 3.720 . 3.720 3.542 2.639 3.837 0.117 10 0 "[ . 1 . 2 . 3]" 1
953 1 141 PRO HB3 1 142 ALA H 3.720 . 3.720 3.685 3.504 3.812 0.092 9 0 "[ . 1 . 2 . 3]" 1
954 1 142 ALA H 1 143 GLU H 4.290 . 4.290 4.185 4.019 4.331 0.041 17 0 "[ . 1 . 2 . 3]" 1
955 1 142 ALA HA 1 143 GLU H 2.850 . 2.850 2.147 2.093 2.291 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 142 ALA MB 1 143 GLU H 4.560 . 4.560 3.367 3.162 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 143 GLU H 1 143 GLU HB2 3.380 . 3.380 2.819 2.209 3.527 0.147 15 0 "[ . 1 . 2 . 3]" 1
958 1 143 GLU H 1 143 GLU HB3 3.380 . 3.380 2.858 2.517 3.548 0.168 4 0 "[ . 1 . 2 . 3]" 1
959 1 143 GLU H 1 143 GLU HG2 5.430 . 5.430 4.147 1.881 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 143 GLU H 1 143 GLU QG 4.650 . 4.650 3.617 1.858 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 143 GLU H 1 143 GLU HG3 5.430 . 5.430 4.143 2.231 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 19, 2024 6:41:23 PM GMT (wattos1)