NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636545 |
6i9b   |
27666 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6i9b
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 16
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 72.961
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0323
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0715
_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 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 2.189 0.184 2 0 "[ . 1 . 2]"
1 14 LYS 0.398 0.091 1 0 "[ . 1 . 2]"
1 16 GLN 0.362 0.098 2 0 "[ . 1 . 2]"
1 17 LEU 0.529 0.149 18 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 VAL 0.529 0.149 18 0 "[ . 1 . 2]"
1 56 LEU 0.362 0.098 2 0 "[ . 1 . 2]"
1 63 ILE 2.189 0.184 2 0 "[ . 1 . 2]"
1 66 VAL 0.398 0.091 1 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASN 0.170 0.033 19 0 "[ . 1 . 2]"
1 144 TYR 0.170 0.033 19 0 "[ . 1 . 2]"
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 9 LEU QD 1 56 LEU QD 3.200 . 4.000 1.983 1.824 2.258 . 0 0 "[ . 1 . 2]" 1
2 1 14 LYS HA 1 66 VAL QG 3.200 . 5.000 4.852 3.707 5.091 0.091 1 0 "[ . 1 . 2]" 1
3 1 16 GLN QG 1 56 LEU QD 3.200 . 4.000 3.838 3.143 4.098 0.098 2 0 "[ . 1 . 2]" 1
4 1 21 PHE QB 1 73 VAL QG 3.200 . 5.000 2.999 2.707 3.094 . 0 0 "[ . 1 . 2]" 1
5 1 41 PHE HA 1 83 ARG HA 3.200 . 3.510 2.848 2.708 3.026 . 0 0 "[ . 1 . 2]" 1
6 1 42 ILE MG 1 82 VAL QG 3.200 . 5.000 3.407 3.011 3.688 . 0 0 "[ . 1 . 2]" 1
7 1 35 GLN QB 1 46 THR MG 3.200 . 5.000 2.314 1.991 2.769 . 0 0 "[ . 1 . 2]" 1
8 1 35 GLN QG 1 46 THR MG 3.200 . 5.000 2.863 2.551 3.429 . 0 0 "[ . 1 . 2]" 1
9 1 17 LEU QD 1 47 VAL QG 3.200 . 5.000 4.679 3.839 5.149 0.149 18 0 "[ . 1 . 2]" 1
10 1 9 LEU QD 1 56 LEU HA 3.200 . 5.000 3.503 2.801 4.112 . 0 0 "[ . 1 . 2]" 1
11 1 13 LEU QD 1 63 ILE HA 3.200 . 4.000 4.109 4.017 4.184 0.184 2 0 "[ . 1 . 2]" 1
12 1 67 LEU QD 1 73 VAL QG 3.200 . 5.000 2.880 2.113 4.275 . 0 0 "[ . 1 . 2]" 1
13 1 73 VAL QG 1 82 VAL QG 3.200 . 5.000 2.772 2.505 3.136 . 0 0 "[ . 1 . 2]" 1
14 1 75 VAL HA 1 82 VAL HA 3.200 . 5.000 2.506 2.273 2.945 . 0 0 "[ . 1 . 2]" 1
15 1 113 ASN QB 1 144 TYR QD 5.000 3.600 6.800 3.653 3.567 3.852 0.033 19 0 "[ . 1 . 2]" 1
16 1 113 ASN QB 1 144 TYR QE 5.000 3.600 6.800 3.712 3.575 3.996 0.025 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1876
_Distance_constraint_stats_list.Viol_count 4463
_Distance_constraint_stats_list.Viol_total 10931.506
_Distance_constraint_stats_list.Viol_max 1.631
_Distance_constraint_stats_list.Viol_rms 0.0710
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0146
_Distance_constraint_stats_list.Viol_average_violations_only 0.1225
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 0.317 0.093 16 0 "[ . 1 . 2]"
1 4 VAL 1.124 0.194 9 0 "[ . 1 . 2]"
1 5 SER 0.110 0.047 11 0 "[ . 1 . 2]"
1 6 THR 1.164 0.096 6 0 "[ . 1 . 2]"
1 7 GLU 1.212 0.096 6 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 11 0 "[ . 1 . 2]"
1 9 LEU 8.236 0.218 8 0 "[ . 1 . 2]"
1 10 LYS 1.825 0.272 18 0 "[ . 1 . 2]"
1 11 GLU 4.274 0.250 5 0 "[ . 1 . 2]"
1 12 CYS 5.614 0.321 13 0 "[ . 1 . 2]"
1 13 LEU 6.756 0.344 5 0 "[ . 1 . 2]"
1 14 LYS 12.517 0.788 17 1 "[ . 1 . + 2]"
1 15 LYS 32.785 0.788 17 1 "[ . 1 . + 2]"
1 16 GLN 2.437 0.104 4 0 "[ . 1 . 2]"
1 17 LEU 14.891 1.030 9 12 "[* ***** +* . **-*]"
1 18 GLU 0.699 0.073 2 0 "[ . 1 . 2]"
1 19 PHE 2.787 0.166 5 0 "[ . 1 . 2]"
1 20 CYS 1.870 0.166 5 0 "[ . 1 . 2]"
1 21 PHE 8.926 0.348 14 0 "[ . 1 . 2]"
1 23 ARG 1.658 0.169 12 0 "[ . 1 . 2]"
1 24 GLU 3.657 0.438 11 0 "[ . 1 . 2]"
1 25 ASN 0.953 0.161 11 0 "[ . 1 . 2]"
1 26 LEU 16.310 0.395 14 0 "[ . 1 . 2]"
1 27 SER 1.925 0.201 9 0 "[ . 1 . 2]"
1 28 LYS 0.794 0.112 20 0 "[ . 1 . 2]"
1 29 ASP 2.217 0.151 14 0 "[ . 1 . 2]"
1 30 LEU 2.691 0.236 3 0 "[ . 1 . 2]"
1 31 TYR 43.572 1.631 19 20 [*************-****+*]
1 32 LEU 52.834 1.631 19 20 [*************-****+*]
1 33 ILE 12.493 0.395 14 0 "[ . 1 . 2]"
1 34 SER 2.518 0.147 16 0 "[ . 1 . 2]"
1 35 GLN 4.146 0.152 15 0 "[ . 1 . 2]"
1 36 MET 14.136 0.254 12 0 "[ . 1 . 2]"
1 37 ASP 3.438 0.140 14 0 "[ . 1 . 2]"
1 38 SER 1.937 0.103 11 0 "[ . 1 . 2]"
1 39 ASP 7.617 0.424 2 0 "[ . 1 . 2]"
1 40 GLN 11.206 0.389 18 0 "[ . 1 . 2]"
1 41 PHE 13.138 0.424 2 0 "[ . 1 . 2]"
1 42 ILE 13.232 0.613 19 2 "[ . 1 -. +2]"
1 43 PRO 6.501 0.400 5 0 "[ . 1 . 2]"
1 44 ILE 5.653 0.637 8 1 "[ . + 1 . 2]"
1 45 TRP 2.083 0.127 4 0 "[ . 1 . 2]"
1 46 THR 10.392 0.400 5 0 "[ . 1 . 2]"
1 47 VAL 6.648 0.254 9 0 "[ . 1 . 2]"
1 48 ALA 21.421 1.496 4 20 [***+***************-]
1 49 ASN 0.494 0.059 4 0 "[ . 1 . 2]"
1 50 MET 1.836 0.126 18 0 "[ . 1 . 2]"
1 51 GLU 12.237 0.284 11 0 "[ . 1 . 2]"
1 52 GLU 9.761 1.558 17 2 "[ .- 1 . + 2]"
1 53 ILE 34.785 1.558 17 12 "[* ***** ** . +*-*]"
1 54 LYS 12.515 0.784 7 1 "[ . + 1 . 2]"
1 55 LYS 5.197 0.238 17 0 "[ . 1 . 2]"
1 56 LEU 10.172 0.313 16 0 "[ . 1 . 2]"
1 57 THR 3.747 0.208 15 0 "[ . 1 . 2]"
1 58 THR 1.378 0.784 7 1 "[ . + 1 . 2]"
1 59 ASP 1.981 0.274 7 0 "[ . 1 . 2]"
1 60 PRO 14.417 0.326 9 0 "[ . 1 . 2]"
1 61 ASP 5.291 0.298 14 0 "[ . 1 . 2]"
1 62 LEU 13.022 0.413 16 0 "[ . 1 . 2]"
1 63 ILE 12.891 0.883 20 2 "[ . 1 . * +]"
1 64 LEU 36.867 1.496 4 20 [***+***************-]
1 65 GLU 8.131 0.277 10 0 "[ . 1 . 2]"
1 66 VAL 0.074 0.020 3 0 "[ . 1 . 2]"
1 67 LEU 3.615 0.182 16 0 "[ . 1 . 2]"
1 68 ARG 21.941 1.617 12 20 [*********-*+********]
1 69 SER 1.101 0.126 15 0 "[ . 1 . 2]"
1 70 SER 1.178 0.144 9 0 "[ . 1 . 2]"
1 71 PRO 3.391 0.197 2 0 "[ . 1 . 2]"
1 72 MET 5.479 0.320 17 0 "[ . 1 . 2]"
1 73 VAL 0.715 0.156 13 0 "[ . 1 . 2]"
1 74 GLN 3.627 0.234 11 0 "[ . 1 . 2]"
1 75 VAL 26.686 1.617 12 20 [*********-*+********]
1 76 ASP 4.034 0.250 8 0 "[ . 1 . 2]"
1 77 GLU 3.787 0.321 19 0 "[ . 1 . 2]"
1 78 LYS 5.463 0.310 13 0 "[ . 1 . 2]"
1 79 GLY 1.235 0.425 11 0 "[ . 1 . 2]"
1 80 GLU 5.919 0.406 18 0 "[ . 1 . 2]"
1 81 LYS 18.867 0.334 19 0 "[ . 1 . 2]"
1 82 VAL 4.150 0.334 19 0 "[ . 1 . 2]"
1 83 ARG 5.357 0.206 6 0 "[ . 1 . 2]"
1 84 PRO 14.426 0.300 8 0 "[ . 1 . 2]"
1 85 SER 5.911 0.154 14 0 "[ . 1 . 2]"
1 86 HIS 2.794 0.133 2 0 "[ . 1 . 2]"
1 89 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 1.928 0.373 7 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 2.908 0.430 3 0 "[ . 1 . 2]"
1 93 LEU 11.722 0.322 17 0 "[ . 1 . 2]"
1 94 ARG 3.239 0.312 3 0 "[ . 1 . 2]"
1 95 GLU 3.144 0.312 3 0 "[ . 1 . 2]"
1 96 ILE 25.708 0.482 16 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 THR 0.873 0.090 16 0 "[ . 1 . 2]"
1 101 PRO 2.249 0.187 1 0 "[ . 1 . 2]"
1 102 ILE 1.092 0.095 9 0 "[ . 1 . 2]"
1 103 GLU 1.148 0.143 15 0 "[ . 1 . 2]"
1 104 GLU 4.633 0.304 8 0 "[ . 1 . 2]"
1 105 VAL 0.837 0.066 12 0 "[ . 1 . 2]"
1 106 LYS 0.576 0.044 1 0 "[ . 1 . 2]"
1 107 GLY 5.899 0.209 13 0 "[ . 1 . 2]"
1 108 LEU 1.331 0.151 15 0 "[ . 1 . 2]"
1 109 PHE 9.552 0.474 14 0 "[ . 1 . 2]"
1 110 LYS 7.267 0.209 13 0 "[ . 1 . 2]"
1 111 SER 1.658 0.108 15 0 "[ . 1 . 2]"
1 113 ASN 0.282 0.037 4 0 "[ . 1 . 2]"
1 114 CYS 0.617 0.135 15 0 "[ . 1 . 2]"
1 116 LYS 1.717 0.209 11 0 "[ . 1 . 2]"
1 117 VAL 0.461 0.108 11 0 "[ . 1 . 2]"
1 118 ILE 1.447 0.215 15 0 "[ . 1 . 2]"
1 119 SER 0.101 0.034 13 0 "[ . 1 . 2]"
1 120 CYS 2.966 0.141 1 0 "[ . 1 . 2]"
1 121 GLU 1.039 0.088 11 0 "[ . 1 . 2]"
1 122 PHE 2.701 0.095 9 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ASN 0.229 0.094 6 0 "[ . 1 . 2]"
1 126 SER 4.139 0.156 4 0 "[ . 1 . 2]"
1 127 ASN 2.780 0.121 1 0 "[ . 1 . 2]"
1 128 TRP 33.078 0.482 16 0 "[ . 1 . 2]"
1 129 TYR 1.527 0.114 13 0 "[ . 1 . 2]"
1 130 ILE 6.630 0.220 10 0 "[ . 1 . 2]"
1 131 THR 0.284 0.053 12 0 "[ . 1 . 2]"
1 132 PHE 5.880 0.603 15 8 "[* .* 1 ** + - **]"
1 133 GLN 1.335 0.112 5 0 "[ . 1 . 2]"
1 134 SER 0.221 0.039 14 0 "[ . 1 . 2]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 THR 0.977 0.045 4 0 "[ . 1 . 2]"
1 137 ASP 0.475 0.047 20 0 "[ . 1 . 2]"
1 138 ALA 0.686 0.171 20 0 "[ . 1 . 2]"
1 139 GLN 2.767 0.176 20 0 "[ . 1 . 2]"
1 140 GLN 0.570 0.047 20 0 "[ . 1 . 2]"
1 141 ALA 3.674 0.105 16 0 "[ . 1 . 2]"
1 142 PHE 0.739 0.100 5 0 "[ . 1 . 2]"
1 143 LYS 2.328 0.144 11 0 "[ . 1 . 2]"
1 144 TYR 1.488 0.095 13 0 "[ . 1 . 2]"
1 145 LEU 2.211 0.207 13 0 "[ . 1 . 2]"
1 146 ARG 0.686 0.100 5 0 "[ . 1 . 2]"
1 147 GLU 1.405 0.074 4 0 "[ . 1 . 2]"
1 148 GLU 0.933 0.158 8 0 "[ . 1 . 2]"
1 149 VAL 0.744 0.063 18 0 "[ . 1 . 2]"
1 150 LYS 3.419 0.207 13 0 "[ . 1 . 2]"
1 151 THR 0.540 0.103 15 0 "[ . 1 . 2]"
1 152 PHE 8.929 0.291 7 0 "[ . 1 . 2]"
1 153 GLN 0.112 0.058 13 0 "[ . 1 . 2]"
1 154 GLY 4.716 0.291 7 0 "[ . 1 . 2]"
1 155 LYS 7.122 0.247 6 0 "[ . 1 . 2]"
1 156 PRO 4.851 0.247 6 0 "[ . 1 . 2]"
1 157 ILE 1.177 0.108 16 0 "[ . 1 . 2]"
1 158 MET 1.106 0.077 10 0 "[ . 1 . 2]"
1 159 ALA 0.662 0.077 10 0 "[ . 1 . 2]"
1 160 ARG 2.957 0.461 16 0 "[ . 1 . 2]"
1 161 ILE 1.271 0.176 20 0 "[ . 1 . 2]"
1 162 LYS 5.441 0.430 3 0 "[ . 1 . 2]"
1 163 ALA 0.602 0.110 17 0 "[ . 1 . 2]"
1 164 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 168 PHE 0.257 0.082 9 0 "[ . 1 . 2]"
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 64 LEU QD 1 79 GLY HA2 5.500 3.410 5.500 4.012 3.672 4.274 . 0 0 "[ . 1 . 2]" 2
2 1 64 LEU QD 1 79 GLY HA3 5.500 3.490 5.500 3.789 3.065 4.211 0.425 11 0 "[ . 1 . 2]" 2
3 1 83 ARG HB2 1 83 ARG HD2 3.990 . 3.990 2.419 2.340 2.503 . 0 0 "[ . 1 . 2]" 2
4 1 83 ARG HB3 1 83 ARG HD3 3.930 . 3.930 2.596 2.453 2.733 . 0 0 "[ . 1 . 2]" 2
5 1 68 ARG HB3 1 68 ARG HD2 4.380 . 4.380 3.639 3.488 3.962 . 0 0 "[ . 1 . 2]" 2
6 1 68 ARG HB2 1 68 ARG HD3 3.290 . 3.290 2.456 2.283 2.676 . 0 0 "[ . 1 . 2]" 2
7 1 56 LEU H 1 56 LEU HB2 3.500 . 3.500 2.134 2.029 2.321 . 0 0 "[ . 1 . 2]" 2
8 1 56 LEU HB2 1 57 THR H 3.680 . 3.680 2.831 2.520 3.000 . 0 0 "[ . 1 . 2]" 2
9 1 56 LEU H 1 56 LEU HB3 3.790 . 3.790 3.332 3.167 3.562 . 0 0 "[ . 1 . 2]" 2
10 1 23 ARG HD2 1 24 GLU HB3 3.700 . 3.700 3.620 2.462 3.846 0.146 2 0 "[ . 1 . 2]" 2
11 1 23 ARG HD2 1 24 GLU HG2 4.600 . 4.600 4.299 2.594 4.656 0.056 12 0 "[ . 1 . 2]" 2
12 1 39 ASP HB3 1 41 PHE H 4.310 . 4.310 3.560 3.345 3.797 . 0 0 "[ . 1 . 2]" 2
13 1 39 ASP H 1 39 ASP HB3 3.640 . 3.640 3.119 3.046 3.172 . 0 0 "[ . 1 . 2]" 2
14 1 13 LEU H 1 13 LEU HB2 3.510 . 3.510 3.137 2.686 3.479 . 0 0 "[ . 1 . 2]" 2
15 1 13 LEU HB2 1 14 LYS H 3.970 . 3.970 2.720 2.336 3.293 . 0 0 "[ . 1 . 2]" 2
16 1 42 ILE HB 1 42 ILE HG13 3.060 . 3.060 3.008 2.976 3.034 . 0 0 "[ . 1 . 2]" 2
17 1 42 ILE H 1 42 ILE HB 3.460 . 3.460 2.402 2.300 2.482 . 0 0 "[ . 1 . 2]" 2
18 1 13 LEU H 1 13 LEU HB3 3.460 . 3.460 3.443 3.165 3.594 0.134 19 0 "[ . 1 . 2]" 2
19 1 13 LEU HB3 1 14 LYS H 3.910 . 3.910 3.956 3.718 4.162 0.252 7 0 "[ . 1 . 2]" 2
20 1 67 LEU HB2 1 68 ARG H 4.120 . 4.120 3.052 2.882 3.176 . 0 0 "[ . 1 . 2]" 2
21 1 59 ASP HB2 1 62 LEU HB3 3.800 . 3.800 2.452 2.267 2.877 . 0 0 "[ . 1 . 2]" 2
22 1 59 ASP H 1 59 ASP HB2 3.420 . 3.420 2.712 2.182 3.270 . 0 0 "[ . 1 . 2]" 2
23 1 59 ASP HB3 1 62 LEU H 4.440 . 4.440 2.996 1.969 3.692 . 0 0 "[ . 1 . 2]" 2
24 1 59 ASP HB3 1 62 LEU HB2 3.750 . 3.750 3.133 2.194 3.713 . 0 0 "[ . 1 . 2]" 2
25 1 67 LEU H 1 67 LEU HB2 3.380 . 3.380 2.211 2.143 2.512 . 0 0 "[ . 1 . 2]" 2
26 1 17 LEU H 1 17 LEU HB3 3.760 . 3.760 3.459 3.379 3.547 . 0 0 "[ . 1 . 2]" 2
27 1 9 LEU HB3 1 9 LEU MD1 3.040 . 3.040 2.213 2.181 2.275 . 0 0 "[ . 1 . 2]" 2
28 1 62 LEU H 1 62 LEU HB3 3.280 . 3.280 2.348 2.085 2.814 . 0 0 "[ . 1 . 2]" 2
29 1 59 ASP HB2 1 62 LEU HB2 3.860 . 3.860 3.724 3.281 4.134 0.274 7 0 "[ . 1 . 2]" 2
30 1 26 LEU H 1 26 LEU HB3 3.620 . 3.620 2.983 2.898 3.154 . 0 0 "[ . 1 . 2]" 2
31 1 26 LEU HB3 1 27 SER H 4.020 . 4.020 2.335 2.267 2.476 . 0 0 "[ . 1 . 2]" 2
32 1 37 ASP HB2 1 38 SER H 4.120 . 4.120 1.930 1.854 2.006 . 0 0 "[ . 1 . 2]" 2
33 1 37 ASP H 1 37 ASP HB2 4.170 . 4.170 2.932 2.865 3.008 . 0 0 "[ . 1 . 2]" 2
34 1 37 ASP H 1 37 ASP HB3 3.850 . 3.850 3.562 3.542 3.596 . 0 0 "[ . 1 . 2]" 2
35 1 37 ASP HB3 1 38 SER H 4.150 . 4.150 2.246 2.140 2.334 . 0 0 "[ . 1 . 2]" 2
36 1 30 LEU H 1 30 LEU HB3 3.480 . 3.480 3.509 3.223 3.582 0.102 14 0 "[ . 1 . 2]" 2
37 1 30 LEU H 1 30 LEU HB2 3.710 . 3.710 2.741 2.300 3.345 . 0 0 "[ . 1 . 2]" 2
38 1 32 LEU H 1 32 LEU HB3 3.640 . 3.640 3.580 3.394 3.610 . 0 0 "[ . 1 . 2]" 2
39 1 76 ASP HB2 1 77 GLU H 3.990 . 3.990 3.984 3.813 4.100 0.110 3 0 "[ . 1 . 2]" 2
40 1 8 ASP HB3 1 9 LEU H 4.090 . 4.090 3.033 2.352 3.828 . 0 0 "[ . 1 . 2]" 2
41 1 44 ILE HG12 1 76 ASP HB3 4.570 . 4.570 4.244 3.837 4.681 0.111 11 0 "[ . 1 . 2]" 2
42 1 76 ASP H 1 76 ASP HB3 3.580 . 3.580 2.522 2.349 2.666 . 0 0 "[ . 1 . 2]" 2
43 1 41 PHE H 1 41 PHE HB2 3.430 . 3.430 2.462 2.332 2.582 . 0 0 "[ . 1 . 2]" 2
44 1 41 PHE HB2 1 81 LYS HE2 3.800 . 3.800 3.620 2.281 3.976 0.176 12 0 "[ . 1 . 2]" 2
45 1 29 ASP H 1 29 ASP HB2 3.430 . 3.430 2.791 2.674 2.940 . 0 0 "[ . 1 . 2]" 2
46 1 29 ASP HB2 1 32 LEU HB2 4.830 2.800 4.830 3.893 3.615 4.152 . 0 0 "[ . 1 . 2]" 2
47 1 41 PHE H 1 41 PHE HB3 3.730 . 3.730 3.588 3.541 3.625 . 0 0 "[ . 1 . 2]" 2
48 1 41 PHE HB3 1 81 LYS HE2 3.590 . 3.590 3.308 2.273 3.574 . 0 0 "[ . 1 . 2]" 2
49 1 41 PHE HB3 1 42 ILE H 4.400 . 4.400 3.037 2.828 3.240 . 0 0 "[ . 1 . 2]" 2
50 1 41 PHE HB3 1 81 LYS HE3 3.660 . 3.660 2.776 2.216 3.790 0.130 12 0 "[ . 1 . 2]" 2
51 1 29 ASP H 1 29 ASP HB3 3.330 . 3.330 2.715 2.618 2.919 . 0 0 "[ . 1 . 2]" 2
52 1 29 ASP HB3 1 32 LEU HB2 3.990 . 3.990 2.668 2.420 2.943 . 0 0 "[ . 1 . 2]" 2
53 1 61 ASP H 1 61 ASP HB2 3.240 . 3.240 2.104 2.080 2.158 . 0 0 "[ . 1 . 2]" 2
54 1 61 ASP HB2 1 62 LEU H 3.650 . 3.650 3.431 3.244 3.664 0.014 17 0 "[ . 1 . 2]" 2
55 1 61 ASP HB3 1 62 LEU H 4.110 . 4.110 3.349 3.162 3.512 . 0 0 "[ . 1 . 2]" 2
56 1 61 ASP H 1 61 ASP HB3 3.350 . 3.350 3.259 3.062 3.395 0.045 19 0 "[ . 1 . 2]" 2
57 1 49 ASN H 1 49 ASN HB2 3.340 . 3.340 2.584 2.366 2.677 . 0 0 "[ . 1 . 2]" 2
58 1 49 ASN H 1 49 ASN HB3 3.110 . 3.110 2.891 2.714 3.110 . 0 0 "[ . 1 . 2]" 2
59 1 49 ASN HB3 1 50 MET H 4.420 . 4.420 3.852 3.233 4.022 . 0 0 "[ . 1 . 2]" 2
60 1 20 CYS HA 1 25 ASN HB3 4.190 . 4.190 2.799 2.347 3.139 . 0 0 "[ . 1 . 2]" 2
61 1 25 ASN H 1 25 ASN HB3 3.500 . 3.500 3.499 3.308 3.555 0.055 10 0 "[ . 1 . 2]" 2
62 1 25 ASN HB3 1 26 LEU H 3.780 . 3.780 2.995 2.612 3.117 . 0 0 "[ . 1 . 2]" 2
63 1 25 ASN H 1 25 ASN HB2 3.390 . 3.390 2.222 2.091 2.349 . 0 0 "[ . 1 . 2]" 2
64 1 25 ASN HB2 1 26 LEU HB2 4.870 . 4.870 4.247 3.944 4.708 . 0 0 "[ . 1 . 2]" 2
65 1 19 PHE HB2 1 20 CYS H 3.380 . 3.380 3.450 3.358 3.546 0.166 5 0 "[ . 1 . 2]" 2
66 1 19 PHE H 1 19 PHE HB2 3.060 . 3.060 2.155 2.073 2.245 . 0 0 "[ . 1 . 2]" 2
67 1 21 PHE H 1 21 PHE HB3 3.640 . 3.640 3.587 3.553 3.605 . 0 0 "[ . 1 . 2]" 2
68 1 21 PHE HB3 1 26 LEU QD 4.400 . 4.400 3.010 2.376 3.702 . 0 0 "[ . 1 . 2]" 2
69 1 21 PHE H 1 21 PHE HB2 3.470 . 3.470 2.846 2.745 2.948 . 0 0 "[ . 1 . 2]" 2
70 1 10 LYS HA 1 10 LYS HE2 3.890 . 3.890 2.365 2.254 4.053 0.163 18 0 "[ . 1 . 2]" 2
71 1 10 LYS H 1 10 LYS HE2 3.690 . 3.690 3.633 2.502 3.746 0.056 4 0 "[ . 1 . 2]" 2
72 1 10 LYS HB2 1 10 LYS HE2 3.480 . 3.480 2.559 2.278 3.752 0.272 18 0 "[ . 1 . 2]" 2
73 1 10 LYS H 1 10 LYS HE3 4.060 . 4.060 3.817 1.780 4.108 0.048 20 0 "[ . 1 . 2]" 2
74 1 10 LYS HB2 1 10 LYS HE3 3.670 . 3.670 2.591 2.287 3.849 0.179 7 0 "[ . 1 . 2]" 2
75 1 33 ILE H 1 33 ILE HB 3.120 . 3.120 2.064 2.051 2.084 . 0 0 "[ . 1 . 2]" 2
76 1 63 ILE HB 1 64 LEU H 3.430 . 3.430 2.594 2.283 2.850 . 0 0 "[ . 1 . 2]" 2
77 1 63 ILE H 1 63 ILE HB 3.050 . 3.050 2.360 2.264 2.524 . 0 0 "[ . 1 . 2]" 2
78 1 31 TYR H 1 31 TYR HB3 3.360 . 3.360 2.676 2.554 2.942 . 0 0 "[ . 1 . 2]" 2
79 1 43 PRO HA 1 44 ILE HB 4.370 . 4.370 4.347 4.223 4.422 0.052 5 0 "[ . 1 . 2]" 2
80 1 44 ILE HB 1 45 TRP H 3.940 . 3.940 3.044 2.862 3.100 . 0 0 "[ . 1 . 2]" 2
81 1 44 ILE H 1 44 ILE HB 3.210 . 3.210 2.230 2.127 2.296 . 0 0 "[ . 1 . 2]" 2
82 1 80 GLU H 1 80 GLU HG2 3.770 . 3.770 3.378 2.386 3.673 . 0 0 "[ . 1 . 2]" 2
83 1 80 GLU H 1 80 GLU HG3 3.960 . 3.960 2.801 2.336 3.812 . 0 0 "[ . 1 . 2]" 2
84 1 52 GLU H 1 52 GLU QG . . 3.580 1.814 1.653 2.205 0.147 10 0 "[ . 1 . 2]" 2
85 1 7 GLU HA 1 7 GLU HG2 3.470 . 3.470 2.544 2.289 3.494 0.024 2 0 "[ . 1 . 2]" 2
86 1 81 LYS QB 1 81 LYS HE3 4.520 . 4.520 2.232 2.001 3.805 . 0 0 "[ . 1 . 2]" 2
87 1 65 GLU HG3 1 66 VAL H 4.490 . 4.490 4.454 4.346 4.510 0.020 3 0 "[ . 1 . 2]" 2
88 1 65 GLU HA 1 65 GLU HG3 3.710 . 3.710 2.891 2.761 3.087 . 0 0 "[ . 1 . 2]" 2
89 1 7 GLU QB 1 7 GLU HG3 2.770 . 2.770 2.296 2.167 2.488 . 0 0 "[ . 1 . 2]" 2
90 1 12 CYS H 1 15 LYS HE2 4.630 . 4.630 4.436 3.816 4.726 0.096 19 0 "[ . 1 . 2]" 2
91 1 15 LYS HD2 1 15 LYS HE2 2.640 . 2.640 2.913 2.759 2.997 0.357 9 0 "[ . 1 . 2]" 2
92 1 62 LEU HA 1 65 GLU HG3 4.300 . 4.300 3.266 2.927 3.595 . 0 0 "[ . 1 . 2]" 2
93 1 65 GLU H 1 65 GLU HG3 4.130 . 4.130 2.268 2.133 2.474 . 0 0 "[ . 1 . 2]" 2
94 1 53 ILE HB 1 54 LYS H 3.350 . 3.350 3.337 3.239 3.384 0.034 10 0 "[ . 1 . 2]" 2
95 1 53 ILE H 1 53 ILE HB 3.310 . 3.310 2.119 2.070 2.162 . 0 0 "[ . 1 . 2]" 2
96 1 40 GLN HA 1 40 GLN HG2 3.320 . 3.320 2.772 2.607 3.471 0.151 18 0 "[ . 1 . 2]" 2
97 1 40 GLN H 1 40 GLN HG2 3.930 . 3.930 2.825 2.672 4.245 0.315 18 0 "[ . 1 . 2]" 2
98 1 40 GLN HB3 1 40 GLN HG2 2.930 . 2.930 2.727 2.245 3.016 0.086 15 0 "[ . 1 . 2]" 2
99 1 82 VAL HB 1 83 ARG H 4.210 . 4.210 3.904 3.823 3.971 . 0 0 "[ . 1 . 2]" 2
100 1 82 VAL H 1 82 VAL HB 4.010 . 4.010 3.658 3.538 3.711 . 0 0 "[ . 1 . 2]" 2
101 1 39 ASP HA 1 40 GLN HG2 4.460 . 4.460 3.472 3.190 4.849 0.389 18 0 "[ . 1 . 2]" 2
102 1 40 GLN HB2 1 40 GLN HG2 2.790 . 2.790 2.906 2.414 3.032 0.242 2 0 "[ . 1 . 2]" 2
103 1 36 MET H 1 36 MET HB2 3.700 . 3.700 2.293 2.267 2.326 . 0 0 "[ . 1 . 2]" 2
104 1 36 MET HB2 1 40 GLN HA 3.680 . 3.680 3.733 3.690 3.763 0.083 18 0 "[ . 1 . 2]" 2
105 1 36 MET HB3 1 40 GLN HA 3.660 . 3.660 2.238 2.217 2.256 . 0 0 "[ . 1 . 2]" 2
106 1 28 LYS H 1 28 LYS HB2 3.740 . 3.740 2.701 2.403 2.978 . 0 0 "[ . 1 . 2]" 2
107 1 28 LYS HB2 1 28 LYS HD3 3.940 . 3.940 2.591 2.238 3.703 . 0 0 "[ . 1 . 2]" 2
108 1 28 LYS HB3 1 28 LYS HD3 4.080 . 4.080 3.360 2.475 3.835 . 0 0 "[ . 1 . 2]" 2
109 1 36 MET HG2 1 37 ASP H 4.360 . 4.360 3.938 3.792 4.034 . 0 0 "[ . 1 . 2]" 2
110 1 36 MET H 1 36 MET HG2 3.750 . 3.750 3.613 3.574 3.666 . 0 0 "[ . 1 . 2]" 2
111 1 33 ILE HA 1 36 MET HG2 3.750 . 3.750 3.800 3.775 3.832 0.082 14 0 "[ . 1 . 2]" 2
112 1 36 MET HA 1 36 MET HG2 3.880 . 3.880 2.282 2.236 2.303 . 0 0 "[ . 1 . 2]" 2
113 1 50 MET HB2 1 51 GLU H 4.520 . 4.520 4.426 4.060 4.597 0.077 10 0 "[ . 1 . 2]" 2
114 1 36 MET H 1 36 MET HG3 4.020 . 4.020 2.463 2.403 2.531 . 0 0 "[ . 1 . 2]" 2
115 1 36 MET HG3 1 42 ILE HG12 4.160 . 4.160 3.693 3.247 4.110 . 0 0 "[ . 1 . 2]" 2
116 1 74 GLN HA 1 74 GLN HG2 4.020 . 4.020 3.272 2.364 3.571 . 0 0 "[ . 1 . 2]" 2
117 1 74 GLN HG2 1 75 VAL H 4.520 . 4.520 3.709 2.708 4.593 0.073 18 0 "[ . 1 . 2]" 2
118 1 74 GLN HA 1 74 GLN HG3 4.020 . 4.020 2.620 2.296 3.855 . 0 0 "[ . 1 . 2]" 2
119 1 80 GLU HB3 1 81 LYS H 4.320 . 4.320 4.297 4.003 4.438 0.118 2 0 "[ . 1 . 2]" 2
120 1 74 GLN HA 1 75 VAL HB 5.400 . 5.400 5.497 5.017 5.634 0.234 11 0 "[ . 1 . 2]" 2
121 1 35 GLN H 1 35 GLN HG2 3.780 . 3.780 2.559 2.318 2.796 . 0 0 "[ . 1 . 2]" 2
122 1 14 LYS H 1 14 LYS HB2 3.440 . 3.440 2.583 2.195 3.552 0.112 19 0 "[ . 1 . 2]" 2
123 1 75 VAL H 1 75 VAL HB 3.540 . 3.540 3.613 3.437 3.740 0.200 6 0 "[ . 1 . 2]" 2
124 1 14 LYS HB2 1 14 LYS HG3 3.070 . 3.070 2.376 2.266 3.009 . 0 0 "[ . 1 . 2]" 2
125 1 35 GLN H 1 35 GLN HG3 4.150 . 4.150 3.559 3.318 3.849 . 0 0 "[ . 1 . 2]" 2
126 1 35 GLN HA 1 35 GLN HG3 4.200 . 4.200 3.697 3.633 3.781 . 0 0 "[ . 1 . 2]" 2
127 1 41 PHE HA 1 83 ARG HB3 3.810 . 3.810 2.299 2.230 2.419 . 0 0 "[ . 1 . 2]" 2
128 1 72 MET HB2 1 72 MET HG3 2.430 . 2.430 2.218 2.206 2.377 . 0 0 "[ . 1 . 2]" 2
129 1 72 MET H 1 72 MET HB2 3.750 . 3.750 3.613 3.592 3.629 . 0 0 "[ . 1 . 2]" 2
130 1 72 MET HA 1 72 MET HG3 4.110 . 4.110 4.057 3.997 4.221 0.111 17 0 "[ . 1 . 2]" 2
131 1 72 MET H 1 72 MET HB3 4.070 . 4.070 2.777 2.646 2.863 . 0 0 "[ . 1 . 2]" 2
132 1 15 LYS H 1 15 LYS HB2 3.730 . 3.730 3.009 2.896 3.144 . 0 0 "[ . 1 . 2]" 2
133 1 15 LYS H 1 15 LYS HB3 3.210 . 3.210 3.499 3.437 3.551 0.341 13 0 "[ . 1 . 2]" 2
134 1 14 LYS H 1 14 LYS HB3 3.410 . 3.410 2.617 2.282 3.495 0.085 17 0 "[ . 1 . 2]" 2
135 1 78 LYS H 1 78 LYS HB2 3.740 . 3.740 2.369 2.072 3.065 . 0 0 "[ . 1 . 2]" 2
136 1 78 LYS H 1 78 LYS HB3 3.440 . 3.440 3.010 2.391 3.491 0.051 13 0 "[ . 1 . 2]" 2
137 1 43 PRO HB2 1 44 ILE H 4.240 . 4.240 3.941 3.846 4.019 . 0 0 "[ . 1 . 2]" 2
138 1 72 MET H 1 72 MET HG3 3.760 . 3.760 3.527 3.439 3.639 . 0 0 "[ . 1 . 2]" 2
139 1 43 PRO HB2 1 46 THR H 4.130 . 4.130 2.094 2.047 2.201 . 0 0 "[ . 1 . 2]" 2
140 1 60 PRO HB2 1 60 PRO HD2 4.300 . 4.300 3.917 2.866 4.046 . 0 0 "[ . 1 . 2]" 2
141 1 71 PRO HB2 1 71 PRO HD2 3.790 . 3.790 3.048 3.018 3.111 . 0 0 "[ . 1 . 2]" 2
142 1 84 PRO HB3 1 85 SER H 4.310 . 4.310 3.722 3.586 3.854 . 0 0 "[ . 1 . 2]" 2
143 1 26 LEU QD 1 84 PRO HB3 4.170 . 4.170 3.058 2.590 3.276 . 0 0 "[ . 1 . 2]" 2
144 1 18 GLU H 1 18 GLU HB2 3.510 . 3.510 3.385 2.937 3.583 0.073 2 0 "[ . 1 . 2]" 2
145 1 18 GLU H 1 18 GLU HB3 3.680 . 3.680 2.520 2.048 3.543 . 0 0 "[ . 1 . 2]" 2
146 1 18 GLU HB3 1 19 PHE H 4.320 . 4.320 3.662 3.215 4.049 . 0 0 "[ . 1 . 2]" 2
147 1 54 LYS H 1 54 LYS HB2 3.490 . 3.490 2.273 2.210 2.343 . 0 0 "[ . 1 . 2]" 2
148 1 51 GLU HA 1 54 LYS HB2 4.030 . 4.030 2.179 2.156 2.203 . 0 0 "[ . 1 . 2]" 2
149 1 47 VAL H 1 47 VAL HB 3.590 . 3.590 3.367 2.908 3.646 0.056 20 0 "[ . 1 . 2]" 2
150 1 71 PRO HB3 1 71 PRO HD2 3.920 . 3.920 3.951 3.929 3.961 0.041 20 0 "[ . 1 . 2]" 2
151 1 60 PRO HB3 1 60 PRO HD2 3.520 . 3.520 3.812 3.799 3.846 0.326 9 0 "[ . 1 . 2]" 2
152 1 74 GLN HB2 1 75 VAL H 4.400 . 4.400 4.267 3.550 4.411 0.011 17 0 "[ . 1 . 2]" 2
153 1 74 GLN H 1 74 GLN HB2 3.630 . 3.630 3.296 3.075 3.845 0.215 18 0 "[ . 1 . 2]" 2
154 1 86 HIS H 1 86 HIS HB2 4.070 . 4.070 3.080 2.185 4.054 . 0 0 "[ . 1 . 2]" 2
155 1 66 VAL H 1 66 VAL HB 3.210 . 3.210 2.636 2.598 2.669 . 0 0 "[ . 1 . 2]" 2
156 1 63 ILE HA 1 66 VAL HB 3.790 . 3.790 3.471 3.048 3.798 0.008 18 0 "[ . 1 . 2]" 2
157 1 43 PRO HA 1 44 ILE HG12 4.640 . 4.640 4.468 4.161 4.570 . 0 0 "[ . 1 . 2]" 2
158 1 44 ILE H 1 44 ILE HG12 3.580 . 3.580 2.619 2.393 2.758 . 0 0 "[ . 1 . 2]" 2
159 1 44 ILE HA 1 44 ILE HG13 3.750 . 3.750 3.579 3.525 3.621 . 0 0 "[ . 1 . 2]" 2
160 1 23 ARG HB3 1 23 ARG HD3 3.900 . 3.900 3.456 3.033 3.589 . 0 0 "[ . 1 . 2]" 2
161 1 57 THR MG 1 63 ILE HG13 4.300 . 4.300 3.714 2.303 4.437 0.137 12 0 "[ . 1 . 2]" 2
162 1 63 ILE H 1 63 ILE HG12 3.980 . 3.980 3.119 2.165 3.694 . 0 0 "[ . 1 . 2]" 2
163 1 57 THR MG 1 63 ILE HG12 4.610 . 4.610 3.559 2.459 4.106 . 0 0 "[ . 1 . 2]" 2
164 1 77 GLU H 1 77 GLU HB2 3.980 . 3.980 2.301 2.156 2.488 . 0 0 "[ . 1 . 2]" 2
165 1 51 GLU H 1 51 GLU HB2 3.690 . 3.690 2.346 2.226 2.444 . 0 0 "[ . 1 . 2]" 2
166 1 50 MET HA 1 51 GLU HB2 4.490 . 4.490 4.461 4.329 4.539 0.049 8 0 "[ . 1 . 2]" 2
167 1 51 GLU HB2 1 52 GLU H 5.800 3.800 5.800 3.812 3.753 4.033 0.047 17 0 "[ . 1 . 2]" 2
168 1 51 GLU H 1 51 GLU HB3 3.690 . 3.690 2.777 2.632 2.941 . 0 0 "[ . 1 . 2]" 2
169 1 81 LYS QB 1 81 LYS HD3 3.040 . 3.040 3.225 2.880 3.281 0.241 12 0 "[ . 1 . 2]" 2
170 1 51 GLU H 1 54 LYS HD2 4.150 . 4.150 4.278 4.213 4.327 0.177 3 0 "[ . 1 . 2]" 2
171 1 35 GLN HB2 1 42 ILE HG13 3.830 . 3.830 3.889 3.820 3.943 0.113 10 0 "[ . 1 . 2]" 2
172 1 35 GLN H 1 35 GLN HB2 3.890 . 3.890 2.408 2.295 2.532 . 0 0 "[ . 1 . 2]" 2
173 1 35 GLN HB2 1 42 ILE MG 4.040 . 4.040 2.658 2.263 3.255 . 0 0 "[ . 1 . 2]" 2
174 1 65 GLU HB2 1 66 VAL H 3.330 . 3.330 2.958 2.771 3.024 . 0 0 "[ . 1 . 2]" 2
175 1 24 GLU HA 1 24 GLU HB2 3.100 . 3.100 2.557 2.423 2.882 . 0 0 "[ . 1 . 2]" 2
176 1 77 GLU HB3 1 77 GLU HG2 3.110 . 3.110 2.613 2.379 3.029 . 0 0 "[ . 1 . 2]" 2
177 1 52 GLU H 1 52 GLU HB2 3.570 . 3.570 3.095 2.639 3.595 0.025 17 0 "[ . 1 . 2]" 2
178 1 24 GLU H 1 24 GLU HB2 3.860 . 3.860 2.675 2.093 3.594 . 0 0 "[ . 1 . 2]" 2
179 1 24 GLU HB2 1 25 ASN H 4.050 . 4.050 3.840 3.381 4.082 0.032 12 0 "[ . 1 . 2]" 2
180 1 24 GLU HB3 1 25 ASN H 3.900 . 3.900 3.136 2.394 4.061 0.161 11 0 "[ . 1 . 2]" 2
181 1 24 GLU H 1 24 GLU HB3 3.730 . 3.730 2.711 2.533 3.291 . 0 0 "[ . 1 . 2]" 2
182 1 52 GLU H 1 52 GLU HB3 3.680 . 3.680 3.408 2.744 3.617 . 0 0 "[ . 1 . 2]" 2
183 1 43 PRO HA 1 43 PRO HG3 4.190 . 4.190 3.344 3.216 3.493 . 0 0 "[ . 1 . 2]" 2
184 1 33 ILE HA 1 33 ILE HG12 3.850 . 3.850 2.517 2.472 2.555 . 0 0 "[ . 1 . 2]" 2
185 1 55 LYS HD2 1 56 LEU H 4.120 . 4.120 3.013 1.882 4.158 0.038 18 0 "[ . 1 . 2]" 2
186 1 33 ILE H 1 33 ILE HG13 3.690 . 3.690 3.164 2.938 3.316 . 0 0 "[ . 1 . 2]" 2
187 1 33 ILE HA 1 33 ILE HG13 3.670 . 3.670 2.278 2.250 2.303 . 0 0 "[ . 1 . 2]" 2
188 1 55 LYS HD3 1 56 LEU MD2 3.550 . 3.550 2.148 1.996 2.254 . 0 0 "[ . 1 . 2]" 2
189 1 6 THR HA 1 6 THR HB 3.080 . 3.080 2.592 2.270 3.011 . 0 0 "[ . 1 . 2]" 2
190 1 6 THR H 1 6 THR HB 3.640 . 3.640 3.363 2.677 3.602 . 0 0 "[ . 1 . 2]" 2
191 1 45 TRP H 1 45 TRP HB2 3.600 . 3.600 3.454 3.373 3.523 . 0 0 "[ . 1 . 2]" 2
192 1 45 TRP H 1 45 TRP HB3 3.540 . 3.540 2.147 2.086 2.224 . 0 0 "[ . 1 . 2]" 2
193 1 16 GLN HB2 1 17 LEU H 3.980 . 3.980 2.446 2.150 2.778 . 0 0 "[ . 1 . 2]" 2
194 1 16 GLN H 1 16 GLN HB2 3.550 . 3.550 2.461 2.172 2.784 . 0 0 "[ . 1 . 2]" 2
195 1 16 GLN H 1 16 GLN HB3 3.490 . 3.490 3.552 3.486 3.589 0.099 15 0 "[ . 1 . 2]" 2
196 1 16 GLN HB3 1 17 LEU H 3.900 . 3.900 3.411 2.954 3.791 . 0 0 "[ . 1 . 2]" 2
197 1 15 LYS HA 1 15 LYS HD3 4.140 . 4.140 2.341 2.271 2.466 . 0 0 "[ . 1 . 2]" 2
198 1 10 LYS HB3 1 10 LYS HE2 3.830 . 3.830 3.576 2.173 3.798 . 0 0 "[ . 1 . 2]" 2
199 1 58 THR HA 1 58 THR HB 3.090 . 3.090 2.415 2.301 2.524 . 0 0 "[ . 1 . 2]" 2
200 1 84 PRO HA 1 84 PRO HG3 4.320 . 4.320 3.882 3.724 3.962 . 0 0 "[ . 1 . 2]" 2
201 1 43 PRO HD3 1 46 THR HB 4.410 . 4.410 4.718 4.564 4.810 0.400 5 0 "[ . 1 . 2]" 2
202 1 53 ILE HG12 1 56 LEU HB2 3.920 . 3.920 4.097 3.998 4.165 0.245 16 0 "[ . 1 . 2]" 2
203 1 13 LEU MD2 1 53 ILE HG12 5.620 3.800 5.620 4.210 3.456 4.974 0.344 5 0 "[ . 1 . 2]" 2
204 1 53 ILE H 1 53 ILE HG12 4.080 . 4.080 4.324 4.245 4.399 0.319 18 0 "[ . 1 . 2]" 2
205 1 53 ILE H 1 53 ILE HG13 4.230 . 4.230 4.300 4.255 4.336 0.106 2 0 "[ . 1 . 2]" 2
206 1 35 GLN HB3 1 46 THR HB 4.330 . 4.330 3.623 3.257 3.971 . 0 0 "[ . 1 . 2]" 2
207 1 9 LEU HB2 1 9 LEU HG 3.120 . 3.120 2.416 2.366 2.466 . 0 0 "[ . 1 . 2]" 2
208 1 63 ILE HB 1 64 LEU QD 4.460 . 4.460 2.269 2.147 2.523 . 0 0 "[ . 1 . 2]" 2
209 1 71 PRO HD2 1 72 MET ME 3.640 . 3.640 2.081 1.978 2.908 . 0 0 "[ . 1 . 2]" 2
210 1 71 PRO HB2 1 72 MET ME 2.950 . 2.950 2.466 2.268 2.895 . 0 0 "[ . 1 . 2]" 2
211 1 17 LEU HG 1 73 VAL MG1 4.060 . 4.060 4.055 3.985 4.153 0.093 17 0 "[ . 1 . 2]" 2
212 1 30 LEU HA 1 30 LEU HG 4.000 . 4.000 3.228 2.592 3.649 . 0 0 "[ . 1 . 2]" 2
213 1 30 LEU HB2 1 30 LEU HG 3.080 . 3.080 2.499 2.361 2.730 . 0 0 "[ . 1 . 2]" 2
214 1 32 LEU HA 1 32 LEU HG 4.240 . 4.240 3.163 3.102 3.562 . 0 0 "[ . 1 . 2]" 2
215 1 62 LEU HG 1 63 ILE H 4.090 . 4.090 3.043 2.185 4.289 0.199 16 0 "[ . 1 . 2]" 2
216 1 12 CYS HB2 1 13 LEU MD2 3.830 . 3.830 2.711 2.346 3.013 . 0 0 "[ . 1 . 2]" 2
217 1 20 CYS HB2 1 21 PHE H 4.020 . 4.020 2.648 2.556 2.836 . 0 0 "[ . 1 . 2]" 2
218 1 19 PHE H 1 20 CYS HB2 4.800 . 4.800 4.428 4.283 4.697 . 0 0 "[ . 1 . 2]" 2
219 1 12 CYS HB3 1 13 LEU H 3.680 . 3.680 3.646 3.436 3.760 0.080 15 0 "[ . 1 . 2]" 2
220 1 12 CYS H 1 12 CYS HB3 3.690 . 3.690 3.594 3.565 3.613 . 0 0 "[ . 1 . 2]" 2
221 1 12 CYS HB3 1 13 LEU MD2 4.150 . 4.150 3.782 3.300 3.970 . 0 0 "[ . 1 . 2]" 2
222 1 20 CYS H 1 20 CYS HB3 3.730 . 3.730 3.536 3.472 3.574 . 0 0 "[ . 1 . 2]" 2
223 1 20 CYS HB3 1 21 PHE H 4.120 . 4.120 3.099 2.960 3.218 . 0 0 "[ . 1 . 2]" 2
224 1 17 LEU HA 1 20 CYS HB3 3.960 . 3.960 3.941 3.815 4.065 0.105 9 0 "[ . 1 . 2]" 2
225 1 56 LEU HA 1 56 LEU HG 4.060 . 4.060 3.567 3.516 3.631 . 0 0 "[ . 1 . 2]" 2
226 1 68 ARG HA 1 68 ARG HG2 4.160 . 4.160 2.628 2.260 3.808 . 0 0 "[ . 1 . 2]" 2
227 1 54 LYS HD3 1 54 LYS HG2 3.110 . 3.110 2.294 2.255 2.353 . 0 0 "[ . 1 . 2]" 2
228 1 68 ARG HA 1 68 ARG HG3 4.450 . 4.450 2.437 2.274 3.520 . 0 0 "[ . 1 . 2]" 2
229 1 40 GLN HB2 1 84 PRO HD2 4.580 . 4.580 3.977 3.652 4.099 . 0 0 "[ . 1 . 2]" 2
230 1 21 PHE HA 1 26 LEU HG 4.660 . 4.660 4.105 2.807 4.677 0.017 6 0 "[ . 1 . 2]" 2
231 1 26 LEU HG 1 33 ILE MD 4.360 2.800 4.360 2.917 2.405 4.107 0.395 14 0 "[ . 1 . 2]" 2
232 1 13 LEU H 1 13 LEU MD2 4.370 . 4.370 2.096 1.778 2.482 0.022 8 0 "[ . 1 . 2]" 2
233 1 64 LEU HA 1 67 LEU HG 4.520 . 4.520 3.257 2.328 4.702 0.182 16 0 "[ . 1 . 2]" 2
234 1 67 LEU HA 1 67 LEU HG 4.250 . 4.250 3.345 2.288 3.585 . 0 0 "[ . 1 . 2]" 2
235 1 32 LEU H 1 32 LEU QD . . 4.110 2.951 2.281 3.020 . 0 0 "[ . 1 . 2]" 2
236 1 66 VAL HA 1 67 LEU H 4.360 . 4.360 3.499 3.466 3.547 . 0 0 "[ . 1 . 2]" 2
237 1 66 VAL HA 1 69 SER H 4.070 . 4.070 3.752 3.232 4.063 . 0 0 "[ . 1 . 2]" 2
238 1 12 CYS HB3 1 15 LYS HG2 4.380 . 4.380 4.210 4.000 4.392 0.012 13 0 "[ . 1 . 2]" 2
239 1 12 CYS HA 1 15 LYS HG3 3.760 . 3.760 2.782 2.575 3.116 . 0 0 "[ . 1 . 2]" 2
240 1 46 THR HA 1 47 VAL H 4.180 . 4.180 3.534 3.494 3.556 . 0 0 "[ . 1 . 2]" 2
241 1 46 THR HA 1 49 ASN H 4.400 . 4.400 4.155 3.973 4.299 . 0 0 "[ . 1 . 2]" 2
242 1 15 LYS H 1 15 LYS HG3 4.160 . 4.160 3.248 3.172 3.318 . 0 0 "[ . 1 . 2]" 2
243 1 12 CYS HB3 1 15 LYS HG3 4.320 . 4.320 4.419 4.305 4.488 0.168 8 0 "[ . 1 . 2]" 2
244 1 14 LYS HA 1 14 LYS HG2 3.880 . 3.880 2.573 2.268 4.177 0.297 19 0 "[ . 1 . 2]" 2
245 1 14 LYS HA 1 14 LYS HG3 4.150 . 4.150 3.353 2.273 3.545 . 0 0 "[ . 1 . 2]" 2
246 1 26 LEU QD 1 84 PRO HG2 3.750 . 3.750 2.084 1.870 2.547 . 0 0 "[ . 1 . 2]" 2
247 1 67 LEU H 1 67 LEU MD2 4.180 . 4.180 2.277 1.817 3.856 . 0 0 "[ . 1 . 2]" 2
248 1 60 PRO HA 1 61 ASP H 3.870 . 3.870 3.542 3.519 3.571 . 0 0 "[ . 1 . 2]" 2
249 1 71 PRO HA 1 71 PRO HB3 3.110 . 3.110 2.306 2.274 2.319 . 0 0 "[ . 1 . 2]" 2
250 1 62 LEU MD1 1 63 ILE H 4.160 . 4.160 3.325 3.055 3.809 . 0 0 "[ . 1 . 2]" 2
251 1 62 LEU MD1 1 66 VAL MG2 2.670 . 2.670 1.916 1.808 2.014 . 0 0 "[ . 1 . 2]" 2
252 1 62 LEU MD1 1 65 GLU H 4.280 . 4.280 3.852 3.559 4.079 . 0 0 "[ . 1 . 2]" 2
253 1 70 SER H 1 70 SER HB2 3.940 . 3.940 2.569 2.384 3.457 . 0 0 "[ . 1 . 2]" 2
254 1 16 GLN HB3 1 17 LEU QD 3.830 . 3.830 3.389 2.968 3.637 . 0 0 "[ . 1 . 2]" 2
255 1 17 LEU QD 1 53 ILE MD 5.610 3.800 5.610 3.264 2.770 3.665 1.030 9 12 "[* ***** +* . **-*]" 2
256 1 70 SER HB3 1 73 VAL MG1 4.270 . 4.270 3.388 2.187 3.831 . 0 0 "[ . 1 . 2]" 2
257 1 47 VAL MG1 1 48 ALA H 4.120 . 4.120 2.810 1.694 3.870 0.106 1 0 "[ . 1 . 2]" 2
258 1 46 THR MG 1 47 VAL MG1 3.260 . 3.260 2.132 1.888 2.581 . 0 0 "[ . 1 . 2]" 2
259 1 56 LEU HB3 1 56 LEU MD1 3.540 . 3.540 2.383 2.305 2.456 . 0 0 "[ . 1 . 2]" 2
260 1 74 GLN HA 1 75 VAL QG 4.140 . 4.140 3.189 3.095 3.329 . 0 0 "[ . 1 . 2]" 2
261 1 68 ARG HA 1 75 VAL QG 5.650 3.800 5.650 2.737 2.183 3.256 1.617 12 20 [*********-*+********] 2
262 1 73 VAL MG1 1 75 VAL QG 3.460 . 3.460 2.264 1.982 2.491 . 0 0 "[ . 1 . 2]" 2
263 1 12 CYS HA 1 15 LYS H 3.980 . 3.980 3.576 3.455 3.801 . 0 0 "[ . 1 . 2]" 2
264 1 81 LYS HG3 1 82 VAL H 4.370 . 4.370 4.373 2.533 4.704 0.334 19 0 "[ . 1 . 2]" 2
265 1 62 LEU H 1 62 LEU MD2 4.330 . 4.330 3.890 3.660 4.063 . 0 0 "[ . 1 . 2]" 2
266 1 62 LEU HB2 1 62 LEU MD2 3.670 . 3.670 2.345 2.182 2.494 . 0 0 "[ . 1 . 2]" 2
267 1 35 GLN HB3 1 46 THR MG 3.860 . 3.860 2.532 2.218 2.992 . 0 0 "[ . 1 . 2]" 2
268 1 54 LYS HG3 1 58 THR MG 4.650 2.800 4.650 3.538 2.016 4.054 0.784 7 1 "[ . + 1 . 2]" 2
269 1 58 THR HA 1 58 THR MG 3.140 . 3.140 2.387 2.221 2.615 . 0 0 "[ . 1 . 2]" 2
270 1 58 THR H 1 58 THR MG 3.890 . 3.890 2.662 2.304 2.951 . 0 0 "[ . 1 . 2]" 2
271 1 19 PHE HA 1 20 CYS H 4.080 . 4.080 3.527 3.491 3.554 . 0 0 "[ . 1 . 2]" 2
272 1 37 ASP HB2 1 38 SER HA 4.410 . 4.410 4.463 4.416 4.513 0.103 11 0 "[ . 1 . 2]" 2
273 1 72 MET HG3 1 73 VAL MG2 4.570 . 4.570 2.888 2.638 3.538 . 0 0 "[ . 1 . 2]" 2
274 1 38 SER HA 1 38 SER HB2 2.990 . 2.990 2.721 2.375 3.011 0.021 20 0 "[ . 1 . 2]" 2
275 1 53 ILE HA 1 54 LYS H 4.230 . 4.230 3.478 3.428 3.512 . 0 0 "[ . 1 . 2]" 2
276 1 82 VAL MG1 1 82 VAL MG2 2.860 . 2.860 2.007 1.895 2.030 . 0 0 "[ . 1 . 2]" 2
277 1 34 SER HA 1 35 GLN H 3.890 . 3.890 3.482 3.441 3.511 . 0 0 "[ . 1 . 2]" 2
278 1 34 SER HA 1 36 MET H 4.200 . 4.200 4.013 3.899 4.166 . 0 0 "[ . 1 . 2]" 2
279 1 34 SER HA 1 34 SER HB3 2.860 . 2.860 2.537 2.268 2.649 . 0 0 "[ . 1 . 2]" 2
280 1 57 THR H 1 57 THR MG 3.280 . 3.280 2.624 2.487 2.731 . 0 0 "[ . 1 . 2]" 2
281 1 57 THR HA 1 57 THR MG 3.660 . 3.660 3.165 3.144 3.183 . 0 0 "[ . 1 . 2]" 2
282 1 56 LEU HB3 1 57 THR MG 3.650 . 3.650 2.504 2.197 3.417 . 0 0 "[ . 1 . 2]" 2
283 1 10 LYS HA 1 10 LYS HE3 3.790 . 3.790 3.625 2.266 3.799 0.009 20 0 "[ . 1 . 2]" 2
284 1 51 GLU HA 1 54 LYS HA 4.300 . 4.300 4.541 4.494 4.584 0.284 11 0 "[ . 1 . 2]" 2
285 1 51 GLU HA 1 52 GLU H 5.150 2.800 5.150 3.556 3.497 3.589 . 0 0 "[ . 1 . 2]" 2
286 1 57 THR MG 1 58 THR HA 4.350 . 4.350 3.962 3.512 4.173 . 0 0 "[ . 1 . 2]" 2
287 1 45 TRP HA 1 45 TRP HE3 4.260 . 4.260 3.371 3.176 3.550 . 0 0 "[ . 1 . 2]" 2
288 1 41 PHE HA 1 83 ARG HB2 4.310 . 4.310 3.866 3.740 4.057 . 0 0 "[ . 1 . 2]" 2
289 1 45 TRP HA 1 45 TRP HB2 3.070 . 3.070 2.247 2.231 2.281 . 0 0 "[ . 1 . 2]" 2
290 1 45 TRP HA 1 48 ALA MB 2.590 . 2.590 2.276 2.213 2.412 . 0 0 "[ . 1 . 2]" 2
291 1 45 TRP HA 1 45 TRP HB3 3.120 . 3.120 2.750 2.674 2.806 . 0 0 "[ . 1 . 2]" 2
292 1 68 ARG HA 1 70 SER H 4.140 . 4.140 3.130 2.994 3.350 . 0 0 "[ . 1 . 2]" 2
293 1 73 VAL MG1 1 73 VAL MG2 3.070 . 3.070 2.048 1.958 2.080 . 0 0 "[ . 1 . 2]" 2
294 1 41 PHE HA 1 42 ILE H 3.260 . 3.260 2.291 2.231 2.339 . 0 0 "[ . 1 . 2]" 2
295 1 15 LYS HA 1 15 LYS HG3 3.640 . 3.640 3.863 3.820 3.921 0.281 8 0 "[ . 1 . 2]" 2
296 1 24 GLU HA 1 24 GLU HB3 3.140 . 3.140 2.871 2.346 3.021 . 0 0 "[ . 1 . 2]" 2
297 1 65 GLU HA 1 66 VAL H 4.260 . 4.260 3.476 3.456 3.530 . 0 0 "[ . 1 . 2]" 2
298 1 6 THR H 1 7 GLU HA 4.930 . 4.930 4.985 4.950 5.026 0.096 6 0 "[ . 1 . 2]" 2
299 1 15 LYS HA 1 15 LYS HD2 3.030 . 3.030 2.981 2.831 3.106 0.076 16 0 "[ . 1 . 2]" 2
300 1 48 ALA MB 1 64 LEU QD 5.220 3.800 5.220 2.847 2.304 3.290 1.496 4 20 [***+***************-] 2
301 1 21 PHE HA 1 26 LEU HB3 3.610 . 3.610 3.883 3.761 3.958 0.348 14 0 "[ . 1 . 2]" 2
302 1 21 PHE HA 1 26 LEU QD 3.120 . 3.120 2.050 1.903 2.156 . 0 0 "[ . 1 . 2]" 2
303 1 52 GLU HA 1 52 GLU QG 3.430 . 3.430 2.925 2.346 3.386 . 0 0 "[ . 1 . 2]" 2
304 1 32 LEU HB3 1 36 MET ME 4.830 2.800 4.830 4.404 4.344 4.484 . 0 0 "[ . 1 . 2]" 2
305 1 36 MET ME 1 84 PRO HD2 4.020 . 4.020 2.554 2.158 2.740 . 0 0 "[ . 1 . 2]" 2
306 1 36 MET ME 1 40 GLN HB2 4.120 . 4.120 3.443 3.221 3.545 . 0 0 "[ . 1 . 2]" 2
307 1 36 MET ME 1 42 ILE MD 3.160 . 3.160 2.160 1.985 2.193 . 0 0 "[ . 1 . 2]" 2
308 1 33 ILE HG13 1 36 MET ME 3.800 . 3.800 2.215 2.174 2.246 . 0 0 "[ . 1 . 2]" 2
309 1 53 ILE MG 1 56 LEU HB2 4.010 . 4.010 2.715 2.486 3.008 . 0 0 "[ . 1 . 2]" 2
310 1 82 VAL HA 1 83 ARG H 3.040 . 3.040 2.186 2.125 2.208 . 0 0 "[ . 1 . 2]" 2
311 1 54 LYS HA 1 54 LYS HB3 3.000 . 3.000 3.004 2.986 3.015 0.015 7 0 "[ . 1 . 2]" 2
312 1 54 LYS HA 1 57 THR H 3.450 . 3.450 3.584 3.495 3.658 0.208 15 0 "[ . 1 . 2]" 2
313 1 53 ILE MG 1 54 LYS HA 3.840 . 3.840 2.967 2.903 3.064 . 0 0 "[ . 1 . 2]" 2
314 1 17 LEU HA 1 20 CYS HB2 3.630 . 3.630 2.489 2.387 2.619 . 0 0 "[ . 1 . 2]" 2
315 1 9 LEU HA 1 9 LEU MD1 3.150 . 3.150 2.106 2.042 2.175 . 0 0 "[ . 1 . 2]" 2
316 1 67 LEU HA 1 68 ARG H 4.120 . 4.120 3.501 3.477 3.549 . 0 0 "[ . 1 . 2]" 2
317 1 16 GLN HA 1 19 PHE H 4.820 2.800 4.820 3.878 3.774 4.042 . 0 0 "[ . 1 . 2]" 2
318 1 85 SER HA 1 85 SER HB2 3.100 . 3.100 2.270 2.235 2.360 . 0 0 "[ . 1 . 2]" 2
319 1 17 LEU HA 1 17 LEU HG 3.380 . 3.380 2.387 2.287 2.517 . 0 0 "[ . 1 . 2]" 2
320 1 9 LEU HA 1 9 LEU HG 3.990 . 3.990 3.633 3.513 3.673 . 0 0 "[ . 1 . 2]" 2
321 1 5 SER HA 1 5 SER HB2 2.830 . 2.830 2.532 2.238 2.877 0.047 11 0 "[ . 1 . 2]" 2
322 1 13 LEU HA 1 14 LYS H 4.190 . 4.190 3.541 3.473 3.574 . 0 0 "[ . 1 . 2]" 2
323 1 32 LEU HA 1 35 GLN H 3.980 . 3.980 3.320 3.141 3.542 . 0 0 "[ . 1 . 2]" 2
324 1 32 LEU HA 1 35 GLN HG2 4.340 . 4.340 4.052 3.476 4.397 0.057 8 0 "[ . 1 . 2]" 2
325 1 33 ILE MG 1 34 SER H 4.240 . 4.240 2.619 2.288 2.996 . 0 0 "[ . 1 . 2]" 2
326 1 33 ILE HG12 1 33 ILE MG 3.490 . 3.490 2.278 2.265 2.291 . 0 0 "[ . 1 . 2]" 2
327 1 84 PRO HA 1 85 SER HA 4.260 . 4.260 4.385 4.364 4.410 0.150 4 0 "[ . 1 . 2]" 2
328 1 55 LYS HA 1 55 LYS HB3 2.910 . 2.910 2.883 2.338 3.007 0.097 7 0 "[ . 1 . 2]" 2
329 1 42 ILE MG 1 43 PRO HD3 3.590 . 3.590 3.282 3.207 3.370 . 0 0 "[ . 1 . 2]" 2
330 1 42 ILE HG12 1 42 ILE MG 3.090 . 3.090 2.182 2.126 2.258 . 0 0 "[ . 1 . 2]" 2
331 1 44 ILE MG 1 45 TRP H 4.180 . 4.180 3.133 2.920 3.331 . 0 0 "[ . 1 . 2]" 2
332 1 44 ILE MG 1 45 TRP HA 4.270 . 4.270 3.069 2.948 3.218 . 0 0 "[ . 1 . 2]" 2
333 1 26 LEU HA 1 29 ASP H 4.260 . 4.260 3.350 3.141 3.483 . 0 0 "[ . 1 . 2]" 2
334 1 30 LEU HA 1 30 LEU HB3 2.850 . 2.850 2.392 2.236 2.584 . 0 0 "[ . 1 . 2]" 2
335 1 26 LEU HA 1 33 ILE HG13 4.390 . 4.390 4.413 4.316 4.558 0.168 7 0 "[ . 1 . 2]" 2
336 1 30 LEU HA 1 30 LEU MD2 3.060 . 3.060 2.237 2.044 2.643 . 0 0 "[ . 1 . 2]" 2
337 1 44 ILE HG12 1 44 ILE MG 3.700 . 3.700 3.168 3.159 3.181 . 0 0 "[ . 1 . 2]" 2
338 1 63 ILE MG 1 64 LEU H 3.920 . 3.920 2.660 2.518 2.859 . 0 0 "[ . 1 . 2]" 2
339 1 48 ALA HA 1 63 ILE MG 3.870 . 3.870 2.740 2.225 3.188 . 0 0 "[ . 1 . 2]" 2
340 1 63 ILE MG 1 67 LEU HG 3.880 . 3.880 3.615 2.797 4.044 0.164 1 0 "[ . 1 . 2]" 2
341 1 61 ASP HA 1 61 ASP HB3 2.990 . 2.990 2.823 2.734 2.918 . 0 0 "[ . 1 . 2]" 2
342 1 61 ASP HA 1 64 LEU HG 4.370 . 4.370 3.893 3.796 4.023 . 0 0 "[ . 1 . 2]" 2
343 1 62 LEU HA 1 65 GLU H 4.120 . 4.120 3.509 3.389 3.642 . 0 0 "[ . 1 . 2]" 2
344 1 62 LEU HA 1 62 LEU HG 3.720 . 3.720 3.618 3.533 3.665 . 0 0 "[ . 1 . 2]" 2
345 1 50 MET HA 1 51 GLU H 3.050 . 3.050 2.144 2.133 2.164 . 0 0 "[ . 1 . 2]" 2
346 1 86 HIS HA 1 86 HIS HB2 3.070 . 3.070 2.741 2.259 3.028 . 0 0 "[ . 1 . 2]" 2
347 1 78 LYS HA 1 78 LYS HG3 3.250 . 3.250 2.555 2.313 2.738 . 0 0 "[ . 1 . 2]" 2
348 1 8 ASP HA 1 11 GLU H 4.020 . 4.020 3.688 3.379 3.911 . 0 0 "[ . 1 . 2]" 2
349 1 36 MET HA 1 37 ASP H 2.980 . 2.980 2.209 2.153 2.249 . 0 0 "[ . 1 . 2]" 2
350 1 36 MET HA 1 41 PHE H 4.420 . 4.420 4.414 4.210 4.520 0.100 3 0 "[ . 1 . 2]" 2
351 1 36 MET HA 1 36 MET HG3 3.830 . 3.830 2.680 2.642 2.709 . 0 0 "[ . 1 . 2]" 2
352 1 36 MET HA 1 42 ILE HG13 3.590 . 3.590 2.381 2.236 2.650 . 0 0 "[ . 1 . 2]" 2
353 1 28 LYS HA 1 29 ASP H 3.570 . 3.570 3.012 2.988 3.027 . 0 0 "[ . 1 . 2]" 2
354 1 72 MET HA 1 72 MET HG2 3.950 . 3.950 3.485 3.462 3.651 . 0 0 "[ . 1 . 2]" 2
355 1 56 LEU HA 1 57 THR H 3.700 . 3.700 3.560 3.536 3.579 . 0 0 "[ . 1 . 2]" 2
356 1 53 ILE HA 1 56 LEU HA 4.770 . 4.770 4.669 4.549 4.794 0.024 13 0 "[ . 1 . 2]" 2
357 1 36 MET HG3 1 42 ILE MD 3.810 . 3.810 3.015 2.903 3.163 . 0 0 "[ . 1 . 2]" 2
358 1 36 MET HA 1 42 ILE MD 3.960 . 3.960 3.257 2.877 3.593 . 0 0 "[ . 1 . 2]" 2
359 1 42 ILE MD 1 84 PRO HD3 3.960 . 3.960 1.993 1.942 2.118 . 0 0 "[ . 1 . 2]" 2
360 1 32 LEU HB3 1 42 ILE MD 5.510 3.800 5.510 3.527 3.187 4.078 0.613 19 1 "[ . 1 . +2]" 2
361 1 32 LEU QD 1 42 ILE MD 5.960 3.800 5.960 3.642 3.199 3.794 0.601 14 1 "[ . 1 +. 2]" 2
362 1 72 MET HA 1 73 VAL H 3.650 . 3.650 3.106 2.975 3.269 . 0 0 "[ . 1 . 2]" 2
363 1 80 GLU H 1 80 GLU HA 3.070 . 3.070 2.939 2.926 2.958 . 0 0 "[ . 1 . 2]" 2
364 1 80 GLU HA 1 81 LYS H 4.280 . 4.280 3.382 3.217 3.478 . 0 0 "[ . 1 . 2]" 2
365 1 80 GLU HA 1 80 GLU HG2 3.520 . 3.520 2.627 2.402 3.586 0.066 14 0 "[ . 1 . 2]" 2
366 1 44 ILE HG12 1 80 GLU HA 3.280 . 3.280 3.406 3.233 3.686 0.406 18 0 "[ . 1 . 2]" 2
367 1 44 ILE HG13 1 80 GLU HA 3.920 . 3.920 2.235 2.034 2.516 . 0 0 "[ . 1 . 2]" 2
368 1 63 ILE H 1 63 ILE MD 3.860 . 3.860 3.413 1.775 3.701 0.025 20 0 "[ . 1 . 2]" 2
369 1 44 ILE MD 1 81 LYS H 4.150 . 4.150 3.393 2.470 3.603 . 0 0 "[ . 1 . 2]" 2
370 1 35 GLN HA 1 36 MET H 3.910 . 3.910 3.415 3.386 3.439 . 0 0 "[ . 1 . 2]" 2
371 1 35 GLN HA 1 35 GLN HB2 3.000 . 3.000 3.024 3.015 3.029 0.029 14 0 "[ . 1 . 2]" 2
372 1 47 VAL MG2 1 48 ALA HA 4.460 . 4.460 2.972 2.733 3.240 . 0 0 "[ . 1 . 2]" 2
373 1 44 ILE MD 1 80 GLU H 4.100 . 4.100 3.767 2.988 3.989 . 0 0 "[ . 1 . 2]" 2
374 1 76 ASP HA 1 77 GLU H 3.400 . 3.400 2.199 2.144 2.287 . 0 0 "[ . 1 . 2]" 2
375 1 76 ASP HA 1 76 ASP HB3 3.140 . 3.140 3.016 3.000 3.022 . 0 0 "[ . 1 . 2]" 2
376 1 33 ILE H 1 33 ILE MD 4.290 . 4.290 3.738 3.614 3.811 . 0 0 "[ . 1 . 2]" 2
377 1 33 ILE HB 1 33 ILE MD 3.460 . 3.460 2.210 2.176 2.258 . 0 0 "[ . 1 . 2]" 2
378 1 49 ASN HA 1 54 LYS HG3 4.920 2.800 4.920 3.957 3.566 4.462 . 0 0 "[ . 1 . 2]" 2
379 1 49 ASN HA 1 50 MET H 4.070 . 4.070 3.122 3.041 3.412 . 0 0 "[ . 1 . 2]" 2
380 1 83 ARG HA 1 83 ARG HG3 4.260 . 4.260 3.739 3.716 3.798 . 0 0 "[ . 1 . 2]" 2
381 1 83 ARG HA 1 84 PRO HD2 3.210 . 3.210 2.569 2.427 2.802 . 0 0 "[ . 1 . 2]" 2
382 1 83 ARG HA 1 84 PRO HD3 3.100 . 3.100 2.142 2.057 2.223 . 0 0 "[ . 1 . 2]" 2
383 1 42 ILE HG13 1 43 PRO HD2 4.420 . 4.420 3.816 3.504 3.995 . 0 0 "[ . 1 . 2]" 2
384 1 43 PRO HB3 1 43 PRO HD3 4.010 . 4.010 3.813 3.689 3.945 . 0 0 "[ . 1 . 2]" 2
385 1 43 PRO HD3 1 46 THR MG 4.010 . 4.010 3.731 3.578 3.809 . 0 0 "[ . 1 . 2]" 2
386 1 60 PRO HD2 1 61 ASP H 3.820 . 3.820 2.592 2.302 2.760 . 0 0 "[ . 1 . 2]" 2
387 1 59 ASP HB3 1 60 PRO HD2 4.660 . 4.660 3.632 3.151 4.385 . 0 0 "[ . 1 . 2]" 2
388 1 60 PRO HD2 1 60 PRO HG2 3.020 . 3.020 2.300 2.290 2.330 . 0 0 "[ . 1 . 2]" 2
389 1 84 PRO HA 1 84 PRO HD3 4.560 . 4.560 3.785 3.685 3.874 . 0 0 "[ . 1 . 2]" 2
390 1 53 ILE HA 1 53 ILE MD 3.260 . 3.260 2.199 2.143 2.297 . 0 0 "[ . 1 . 2]" 2
391 1 83 ARG HB2 1 84 PRO HD3 3.740 . 3.740 3.773 3.702 3.834 0.094 10 0 "[ . 1 . 2]" 2
392 1 68 ARG HB3 1 68 ARG HD3 3.600 . 3.600 2.596 2.284 3.538 . 0 0 "[ . 1 . 2]" 2
393 1 68 ARG HA 1 68 ARG HD3 4.510 . 4.510 4.325 3.807 4.584 0.074 19 0 "[ . 1 . 2]" 2
394 1 41 PHE HD1 1 83 ARG HD2 4.550 . 4.550 4.397 4.325 4.464 . 0 0 "[ . 1 . 2]" 2
395 1 83 ARG HA 1 83 ARG HD2 4.670 . 4.670 4.703 4.630 4.783 0.113 1 0 "[ . 1 . 2]" 2
396 1 83 ARG HB3 1 83 ARG HD2 3.950 . 3.950 2.872 2.738 3.001 . 0 0 "[ . 1 . 2]" 2
397 1 41 PHE HE1 1 83 ARG HD3 4.240 . 4.240 2.401 2.273 2.649 . 0 0 "[ . 1 . 2]" 2
398 1 68 ARG H 1 68 ARG HD3 4.650 . 4.650 4.470 3.921 4.676 0.026 20 0 "[ . 1 . 2]" 2
399 1 56 LEU HB3 1 56 LEU MD2 3.660 . 3.660 3.188 3.156 3.218 . 0 0 "[ . 1 . 2]" 2
400 1 53 ILE HA 1 56 LEU HB3 4.330 . 4.330 3.888 3.787 4.167 . 0 0 "[ . 1 . 2]" 2
401 1 39 ASP H 1 39 ASP HB2 3.800 . 3.800 2.417 2.371 2.471 . 0 0 "[ . 1 . 2]" 2
402 1 39 ASP HB3 1 41 PHE HE1 3.430 . 3.430 3.791 3.701 3.854 0.424 2 0 "[ . 1 . 2]" 2
403 1 41 PHE HA 1 42 ILE HB 4.840 . 4.840 4.551 4.399 4.688 . 0 0 "[ . 1 . 2]" 2
404 1 13 LEU HB2 1 13 LEU MD1 2.650 . 2.650 2.360 2.143 2.502 . 0 0 "[ . 1 . 2]" 2
405 1 59 ASP HB2 1 62 LEU MD1 4.310 . 4.310 3.887 3.716 4.138 . 0 0 "[ . 1 . 2]" 2
406 1 59 ASP H 1 59 ASP HB3 3.680 . 3.680 3.596 3.255 3.689 0.009 15 0 "[ . 1 . 2]" 2
407 1 44 ILE MG 1 64 LEU HB3 5.070 3.800 5.070 3.910 3.163 4.779 0.637 8 1 "[ . + 1 . 2]" 2
408 1 9 LEU H 1 9 LEU HB3 3.340 . 3.340 3.521 3.388 3.543 0.203 17 0 "[ . 1 . 2]" 2
409 1 67 LEU HB3 1 67 LEU MD2 3.200 . 3.200 2.998 2.285 3.161 . 0 0 "[ . 1 . 2]" 2
410 1 59 ASP HB2 1 63 ILE H 4.260 . 4.260 2.740 1.893 3.304 . 0 0 "[ . 1 . 2]" 2
411 1 59 ASP HB3 1 62 LEU MD1 4.610 . 4.610 4.258 3.858 4.429 . 0 0 "[ . 1 . 2]" 2
412 1 62 LEU HB2 1 62 LEU MD1 2.910 . 2.910 2.559 2.180 3.141 0.231 16 0 "[ . 1 . 2]" 2
413 1 31 TYR HB3 1 32 LEU HB3 5.180 . 5.180 5.387 5.339 5.447 0.267 18 0 "[ . 1 . 2]" 2
414 1 76 ASP HA 1 76 ASP HB2 3.040 . 3.040 2.390 2.308 2.459 . 0 0 "[ . 1 . 2]" 2
415 1 8 ASP H 1 8 ASP HB3 3.710 . 3.710 3.174 2.456 3.591 . 0 0 "[ . 1 . 2]" 2
416 1 8 ASP HB3 1 9 LEU MD2 4.180 . 4.180 2.692 2.162 3.260 . 0 0 "[ . 1 . 2]" 2
417 1 41 PHE HB2 1 41 PHE HD1 3.700 . 3.700 3.773 3.743 3.792 0.092 15 0 "[ . 1 . 2]" 2
418 1 41 PHE HB2 1 81 LYS HE3 4.030 . 4.030 2.754 2.339 3.586 . 0 0 "[ . 1 . 2]" 2
419 1 26 LEU QD 1 29 ASP HB2 4.680 . 4.680 3.291 2.678 4.169 . 0 0 "[ . 1 . 2]" 2
420 1 29 ASP HB3 1 32 LEU HG 4.760 . 4.760 4.003 3.792 4.479 . 0 0 "[ . 1 . 2]" 2
421 1 49 ASN HA 1 49 ASN HB2 3.020 . 3.020 2.660 2.575 2.760 . 0 0 "[ . 1 . 2]" 2
422 1 21 PHE HA 1 21 PHE HB3 3.010 . 3.010 2.279 2.252 2.320 . 0 0 "[ . 1 . 2]" 2
423 1 29 ASP H 1 33 ILE HB 3.470 . 3.470 3.563 3.515 3.621 0.151 14 0 "[ . 1 . 2]" 2
424 1 31 TYR H 1 31 TYR HB2 3.340 . 3.340 2.505 2.298 2.632 . 0 0 "[ . 1 . 2]" 2
425 1 31 TYR HB2 1 31 TYR QD 3.490 . 3.490 2.594 2.320 2.656 . 0 0 "[ . 1 . 2]" 2
426 1 44 ILE HB 1 80 GLU HA 4.350 . 4.350 2.587 2.225 3.776 . 0 0 "[ . 1 . 2]" 2
427 1 44 ILE HB 1 44 ILE HG13 3.000 . 3.000 2.367 2.345 2.481 . 0 0 "[ . 1 . 2]" 2
428 1 80 GLU HA 1 80 GLU HG3 3.990 . 3.990 3.438 3.289 3.765 . 0 0 "[ . 1 . 2]" 2
429 1 80 GLU HG3 1 81 LYS H 4.170 . 4.170 4.146 3.597 4.257 0.087 3 0 "[ . 1 . 2]" 2
430 1 12 CYS HA 1 15 LYS HE2 3.050 . 3.050 3.097 2.636 3.371 0.321 13 0 "[ . 1 . 2]" 2
431 1 18 GLU HG2 1 19 PHE H 3.420 . 3.420 2.619 1.771 3.489 0.069 8 0 "[ . 1 . 2]" 2
432 1 7 GLU HA 1 7 GLU HG3 3.970 . 3.970 3.156 2.340 3.760 . 0 0 "[ . 1 . 2]" 2
433 1 36 MET HB3 1 37 ASP H 4.570 . 4.570 3.608 3.516 3.684 . 0 0 "[ . 1 . 2]" 2
434 1 28 LYS HB3 1 29 ASP H 4.620 . 4.620 4.057 4.034 4.143 . 0 0 "[ . 1 . 2]" 2
435 1 36 MET HG2 1 42 ILE HG13 3.650 . 3.650 2.730 2.349 3.083 . 0 0 "[ . 1 . 2]" 2
436 1 36 MET HG2 1 40 GLN HA 3.850 . 3.850 2.620 2.503 2.735 . 0 0 "[ . 1 . 2]" 2
437 1 36 MET HG3 1 40 GLN HA 3.920 . 3.920 3.956 3.917 3.995 0.075 6 0 "[ . 1 . 2]" 2
438 1 36 MET HG3 1 42 ILE HG13 3.480 . 3.480 2.637 2.311 2.933 . 0 0 "[ . 1 . 2]" 2
439 1 80 GLU H 1 80 GLU HB2 4.180 . 4.180 2.983 2.663 3.947 . 0 0 "[ . 1 . 2]" 2
440 1 31 TYR QD 1 32 LEU H 3.730 . 3.730 3.771 3.678 3.875 0.145 14 0 "[ . 1 . 2]" 2
441 1 4 VAL HB 1 5 SER H 4.710 . 4.710 3.710 1.969 4.460 . 0 0 "[ . 1 . 2]" 2
442 1 40 GLN HB3 1 83 ARG HB2 3.740 . 3.740 3.572 3.420 3.797 0.057 14 0 "[ . 1 . 2]" 2
443 1 41 PHE HD1 1 83 ARG HB3 4.440 . 4.440 2.483 2.302 2.777 . 0 0 "[ . 1 . 2]" 2
444 1 40 GLN HB3 1 83 ARG HB3 3.880 . 3.880 4.024 3.932 4.086 0.206 6 0 "[ . 1 . 2]" 2
445 1 41 PHE HD1 1 81 LYS HE3 4.490 . 4.490 4.632 4.542 4.793 0.303 12 0 "[ . 1 . 2]" 2
446 1 41 PHE HA 1 41 PHE HD1 3.900 . 3.900 2.209 2.140 2.289 . 0 0 "[ . 1 . 2]" 2
447 1 41 PHE HD1 1 81 LYS HE2 4.610 . 4.610 4.194 3.564 4.714 0.104 14 0 "[ . 1 . 2]" 2
448 1 4 VAL H 1 4 VAL HB 3.530 . 3.530 3.198 2.668 3.555 0.025 15 0 "[ . 1 . 2]" 2
449 1 15 LYS HA 1 15 LYS HB3 3.010 . 3.010 2.304 2.260 2.342 . 0 0 "[ . 1 . 2]" 2
450 1 55 LYS H 1 55 LYS HB2 3.330 . 3.330 3.117 2.875 3.568 0.238 17 0 "[ . 1 . 2]" 2
451 1 72 MET HB3 1 72 MET HG2 2.710 . 2.710 2.823 2.766 3.030 0.320 17 0 "[ . 1 . 2]" 2
452 1 19 PHE HA 1 19 PHE HD1 4.410 . 4.410 3.293 2.296 4.107 . 0 0 "[ . 1 . 2]" 2
453 1 21 PHE HE1 1 84 PRO HB3 3.730 . 3.730 3.532 2.976 3.811 0.081 17 0 "[ . 1 . 2]" 2
454 1 74 GLN H 1 74 GLN HB3 3.850 . 3.850 2.684 2.466 3.082 . 0 0 "[ . 1 . 2]" 2
455 1 86 HIS H 1 86 HIS HB3 3.980 . 3.980 3.290 2.304 3.749 . 0 0 "[ . 1 . 2]" 2
456 1 68 ARG HB2 1 68 ARG HD2 3.590 . 3.590 3.180 2.479 3.633 0.043 5 0 "[ . 1 . 2]" 2
457 1 35 GLN HB2 1 46 THR MG 4.060 . 4.060 2.704 2.253 3.276 . 0 0 "[ . 1 . 2]" 2
458 1 65 GLU H 1 65 GLU HB2 2.980 . 2.980 2.445 2.373 2.527 . 0 0 "[ . 1 . 2]" 2
459 1 7 GLU QB 1 8 ASP HA 4.410 . 4.410 3.909 3.822 4.067 . 0 0 "[ . 1 . 2]" 2
460 1 11 GLU HA 1 11 GLU HB2 2.880 . 2.880 2.901 2.813 3.015 0.135 7 0 "[ . 1 . 2]" 2
461 1 11 GLU HB2 1 11 GLU HG2 2.400 . 2.400 2.467 2.421 2.500 0.100 2 0 "[ . 1 . 2]" 2
462 1 52 GLU HB2 1 53 ILE H 5.210 2.800 5.210 2.676 2.535 3.264 0.265 15 0 "[ . 1 . 2]" 2
463 1 52 GLU HB3 1 53 ILE H 5.730 2.800 5.730 3.931 3.686 4.036 . 0 0 "[ . 1 . 2]" 2
464 1 43 PRO HG2 1 46 THR H 4.710 . 4.710 3.822 3.739 3.970 . 0 0 "[ . 1 . 2]" 2
465 1 42 ILE H 1 42 ILE HG12 4.110 . 4.110 4.198 4.148 4.272 0.162 1 0 "[ . 1 . 2]" 2
466 1 36 MET HA 1 42 ILE HG12 4.150 . 4.150 4.117 3.946 4.367 0.217 6 0 "[ . 1 . 2]" 2
467 1 45 TRP HB2 1 45 TRP HD1 3.680 . 3.680 3.708 3.689 3.744 0.064 12 0 "[ . 1 . 2]" 2
468 1 45 TRP HB3 1 45 TRP HD1 3.480 . 3.480 2.553 2.546 2.576 . 0 0 "[ . 1 . 2]" 2
469 1 43 PRO HB3 1 45 TRP HD1 4.120 . 4.120 2.918 2.541 3.276 . 0 0 "[ . 1 . 2]" 2
470 1 45 TRP H 1 45 TRP HD1 3.810 . 3.810 3.249 2.999 3.518 . 0 0 "[ . 1 . 2]" 2
471 1 43 PRO HB2 1 45 TRP HD1 4.070 . 4.070 2.736 2.506 3.012 . 0 0 "[ . 1 . 2]" 2
472 1 21 PHE HD1 1 84 PRO HG2 4.760 . 4.760 3.934 3.499 4.314 . 0 0 "[ . 1 . 2]" 2
473 1 20 CYS H 1 20 CYS HB2 3.450 . 3.450 2.252 2.153 2.340 . 0 0 "[ . 1 . 2]" 2
474 1 20 CYS HB2 1 21 PHE HD1 4.290 . 4.290 4.229 4.061 4.342 0.052 9 0 "[ . 1 . 2]" 2
475 1 71 PRO HD3 1 71 PRO HG2 3.040 . 3.040 2.741 2.715 2.753 . 0 0 "[ . 1 . 2]" 2
476 1 60 PRO HG2 1 61 ASP H 4.070 . 4.070 2.059 1.775 3.884 0.025 7 0 "[ . 1 . 2]" 2
477 1 59 ASP HA 1 60 PRO HG2 4.570 . 4.570 4.397 4.356 4.601 0.031 9 0 "[ . 1 . 2]" 2
478 1 71 PRO HG3 1 72 MET H 4.470 . 4.470 4.586 4.241 4.667 0.197 2 0 "[ . 1 . 2]" 2
479 1 70 SER HA 1 71 PRO HG3 4.670 . 4.670 4.512 4.379 4.590 . 0 0 "[ . 1 . 2]" 2
480 1 13 LEU HA 1 13 LEU HG 4.090 . 4.090 3.491 3.396 3.573 . 0 0 "[ . 1 . 2]" 2
481 1 32 LEU H 1 32 LEU HG 3.630 . 3.630 2.309 2.182 3.882 0.252 14 0 "[ . 1 . 2]" 2
482 1 12 CYS H 1 12 CYS HB2 3.430 . 3.430 2.567 2.306 2.756 . 0 0 "[ . 1 . 2]" 2
483 1 13 LEU H 1 56 LEU MD2 5.170 2.800 5.170 4.264 3.643 4.763 . 0 0 "[ . 1 . 2]" 2
484 1 13 LEU HA 1 13 LEU MD2 3.450 . 3.450 2.507 2.055 3.158 . 0 0 "[ . 1 . 2]" 2
485 1 13 LEU MD2 1 55 LYS HE3 5.090 3.800 5.090 4.675 4.383 4.990 . 0 0 "[ . 1 . 2]" 2
486 1 56 LEU HB2 1 56 LEU MD2 2.990 . 2.990 2.295 2.227 2.359 . 0 0 "[ . 1 . 2]" 2
487 1 78 LYS H 1 78 LYS HG2 4.190 . 4.190 4.320 4.221 4.414 0.224 14 0 "[ . 1 . 2]" 2
488 1 32 LEU HA 1 32 LEU QD . . 2.780 2.007 1.919 2.038 . 0 0 "[ . 1 . 2]" 2
489 1 15 LYS HA 1 15 LYS HG2 3.870 . 3.870 3.362 3.227 3.448 . 0 0 "[ . 1 . 2]" 2
490 1 64 LEU QD 1 66 VAL H 4.110 . 4.110 3.813 3.748 3.890 . 0 0 "[ . 1 . 2]" 2
491 1 21 PHE HD1 1 26 LEU QD 4.040 . 4.040 2.085 1.947 2.342 . 0 0 "[ . 1 . 2]" 2
492 1 26 LEU HA 1 26 LEU QD 2.990 . 2.990 2.178 1.878 2.706 . 0 0 "[ . 1 . 2]" 2
493 1 26 LEU HB2 1 26 LEU QD 2.780 . 2.780 2.132 2.057 2.327 . 0 0 "[ . 1 . 2]" 2
494 1 9 LEU H 1 9 LEU MD1 4.260 . 4.260 3.696 3.462 4.001 . 0 0 "[ . 1 . 2]" 2
495 1 16 GLN H 1 17 LEU QD 4.770 . 4.770 3.851 3.418 4.156 . 0 0 "[ . 1 . 2]" 2
496 1 67 LEU HA 1 67 LEU MD1 3.140 . 3.140 2.226 2.076 3.271 0.131 12 0 "[ . 1 . 2]" 2
497 1 17 LEU H 1 17 LEU QD 3.780 . 3.780 1.929 1.752 2.202 0.048 19 0 "[ . 1 . 2]" 2
498 1 17 LEU HA 1 17 LEU QD 2.900 . 2.900 2.208 2.126 2.339 . 0 0 "[ . 1 . 2]" 2
499 1 66 VAL MG2 1 67 LEU H 3.740 . 3.740 3.612 3.550 3.680 . 0 0 "[ . 1 . 2]" 2
500 1 66 VAL H 1 66 VAL MG2 2.970 . 2.970 1.958 1.897 2.016 . 0 0 "[ . 1 . 2]" 2
501 1 31 TYR HE1 1 32 LEU QD 5.010 2.800 5.010 3.369 3.022 4.477 . 0 0 "[ . 1 . 2]" 2
502 1 31 TYR QD 1 32 LEU QD 5.600 3.800 5.600 2.225 2.169 2.994 1.631 19 20 [*************-****+*] 2
503 1 47 VAL H 1 47 VAL MG1 3.040 . 3.040 2.010 1.615 2.477 0.185 6 0 "[ . 1 . 2]" 2
504 1 46 THR HB 1 47 VAL MG1 4.370 . 4.370 4.280 3.942 4.411 0.041 15 0 "[ . 1 . 2]" 2
505 1 30 LEU H 1 30 LEU MD2 4.060 . 4.060 2.551 1.654 3.628 0.146 3 0 "[ . 1 . 2]" 2
506 1 75 VAL H 1 75 VAL QG 3.290 . 3.290 1.812 1.661 2.008 0.139 8 0 "[ . 1 . 2]" 2
507 1 82 VAL MG2 1 83 ARG H 3.320 . 3.320 2.243 2.027 2.455 . 0 0 "[ . 1 . 2]" 2
508 1 82 VAL HA 1 82 VAL MG2 3.240 . 3.240 2.488 2.377 2.607 . 0 0 "[ . 1 . 2]" 2
509 1 17 LEU HB3 1 17 LEU QD 3.050 . 3.050 2.352 2.184 2.451 . 0 0 "[ . 1 . 2]" 2
510 1 73 VAL MG2 1 85 SER H 3.790 . 3.790 2.806 2.024 3.171 . 0 0 "[ . 1 . 2]" 2
511 1 21 PHE HB3 1 73 VAL MG2 3.780 . 3.780 3.498 3.044 3.660 . 0 0 "[ . 1 . 2]" 2
512 1 21 PHE HB2 1 73 VAL MG2 3.740 . 3.740 3.341 3.069 3.501 . 0 0 "[ . 1 . 2]" 2
513 1 4 VAL H 1 4 VAL MG2 3.370 . 3.370 1.989 1.606 2.679 0.194 9 0 "[ . 1 . 2]" 2
514 1 82 VAL H 1 82 VAL MG1 3.040 . 3.040 2.215 1.983 2.313 . 0 0 "[ . 1 . 2]" 2
515 1 86 HIS HA 1 86 HIS HD2 4.220 . 4.220 3.525 2.322 4.280 0.060 15 0 "[ . 1 . 2]" 2
516 1 86 HIS HB3 1 86 HIS HD2 4.180 . 4.180 3.436 2.752 3.998 . 0 0 "[ . 1 . 2]" 2
517 1 57 THR MG 1 59 ASP H 3.670 . 3.670 2.540 1.738 3.227 0.062 6 0 "[ . 1 . 2]" 2
518 1 3 ALA MB 1 4 VAL H 3.910 . 3.910 2.361 1.746 3.447 0.054 14 0 "[ . 1 . 2]" 2
519 1 3 ALA MB 1 4 VAL MG2 3.240 . 3.240 2.789 2.482 3.018 . 0 0 "[ . 1 . 2]" 2
520 1 73 VAL MG1 1 74 GLN H 3.870 . 3.870 2.170 1.736 2.275 0.064 12 0 "[ . 1 . 2]" 2
521 1 46 THR H 1 46 THR HB 3.310 . 3.310 2.153 2.099 2.205 . 0 0 "[ . 1 . 2]" 2
522 1 48 ALA H 1 48 ALA MB 2.780 . 2.780 2.112 2.028 2.234 . 0 0 "[ . 1 . 2]" 2
523 1 46 THR HB 1 47 VAL H 3.520 . 3.520 3.626 3.483 3.689 0.169 2 0 "[ . 1 . 2]" 2
524 1 33 ILE HA 1 36 MET ME 3.110 . 3.110 2.490 2.355 2.742 . 0 0 "[ . 1 . 2]" 2
525 1 36 MET ME 1 36 MET HG2 3.320 . 3.320 2.224 2.207 2.285 . 0 0 "[ . 1 . 2]" 2
526 1 36 MET ME 1 36 MET HG3 2.640 . 2.640 2.436 2.371 2.475 . 0 0 "[ . 1 . 2]" 2
527 1 53 ILE MG 1 54 LYS H 3.790 . 3.790 2.861 2.652 3.101 . 0 0 "[ . 1 . 2]" 2
528 1 53 ILE H 1 53 ILE MG 4.080 . 4.080 3.293 3.145 3.424 . 0 0 "[ . 1 . 2]" 2
529 1 63 ILE H 1 63 ILE MG 4.300 . 4.300 3.721 3.677 3.784 . 0 0 "[ . 1 . 2]" 2
530 1 46 THR HA 1 49 ASN HB2 4.250 . 4.250 4.162 3.657 4.309 0.059 4 0 "[ . 1 . 2]" 2
531 1 66 VAL HA 1 66 VAL MG2 2.980 . 2.980 2.491 2.455 2.521 . 0 0 "[ . 1 . 2]" 2
532 1 66 VAL HA 1 66 VAL MG1 3.090 . 3.090 2.224 2.194 2.319 . 0 0 "[ . 1 . 2]" 2
533 1 44 ILE HA 1 44 ILE MG 2.810 . 2.810 2.670 2.549 2.764 . 0 0 "[ . 1 . 2]" 2
534 1 44 ILE HA 1 44 ILE HG12 3.570 . 3.570 2.523 2.385 2.857 . 0 0 "[ . 1 . 2]" 2
535 1 63 ILE HA 1 63 ILE HG13 3.210 . 3.210 3.007 2.638 3.496 0.286 18 0 "[ . 1 . 2]" 2
536 1 63 ILE HA 1 63 ILE HG12 2.650 . 2.650 2.560 2.282 3.533 0.883 20 2 "[ . 1 . - +]" 2
537 1 42 ILE H 1 42 ILE MD 4.000 . 4.000 2.179 1.895 2.364 . 0 0 "[ . 1 . 2]" 2
538 1 36 MET HG2 1 42 ILE MD 4.020 . 4.020 2.448 2.162 2.717 . 0 0 "[ . 1 . 2]" 2
539 1 60 PRO HA 1 64 LEU H 5.280 2.800 5.280 5.098 4.939 5.303 0.023 12 0 "[ . 1 . 2]" 2
540 1 6 THR HA 1 6 THR MG 3.070 . 3.070 2.366 2.117 3.128 0.058 3 0 "[ . 1 . 2]" 2
541 1 69 SER H 1 69 SER HB2 3.450 . 3.450 2.688 2.084 3.576 0.126 15 0 "[ . 1 . 2]" 2
542 1 69 SER HA 1 69 SER HB2 3.030 . 3.030 2.689 2.247 3.028 . 0 0 "[ . 1 . 2]" 2
543 1 69 SER HA 1 69 SER HB3 2.950 . 2.950 2.711 2.333 3.019 0.069 2 0 "[ . 1 . 2]" 2
544 1 69 SER H 1 69 SER HB3 3.530 . 3.530 2.947 2.107 3.591 0.061 5 0 "[ . 1 . 2]" 2
545 1 72 MET HA 1 85 SER HB3 3.940 . 3.940 3.891 3.610 4.027 0.087 12 0 "[ . 1 . 2]" 2
546 1 27 SER H 1 27 SER HB3 3.160 . 3.160 2.406 2.202 2.503 . 0 0 "[ . 1 . 2]" 2
547 1 27 SER HB3 1 28 LYS H 4.000 . 4.000 3.993 3.797 4.053 0.053 7 0 "[ . 1 . 2]" 2
548 1 85 SER HB2 1 86 HIS H 4.250 . 4.250 3.973 3.739 4.272 0.022 14 0 "[ . 1 . 2]" 2
549 1 85 SER H 1 85 SER HB3 3.490 . 3.490 2.350 2.289 2.452 . 0 0 "[ . 1 . 2]" 2
550 1 74 GLN HB3 1 85 SER HB3 4.410 . 4.410 4.231 4.026 4.438 0.028 13 0 "[ . 1 . 2]" 2
551 1 44 ILE H 1 44 ILE MD 4.240 . 4.240 3.817 3.382 3.934 . 0 0 "[ . 1 . 2]" 2
552 1 44 ILE MD 1 80 GLU HA 4.270 . 4.270 3.774 3.376 3.930 . 0 0 "[ . 1 . 2]" 2
553 1 44 ILE HA 1 44 ILE MD 3.720 . 3.720 2.105 1.979 2.159 . 0 0 "[ . 1 . 2]" 2
554 1 12 CYS HA 1 12 CYS HB3 2.960 . 2.960 2.440 2.354 2.576 . 0 0 "[ . 1 . 2]" 2
555 1 34 SER H 1 34 SER HB2 3.460 . 3.460 3.556 2.924 3.607 0.147 16 0 "[ . 1 . 2]" 2
556 1 33 ILE MG 1 34 SER HB3 3.940 . 3.940 3.138 2.864 3.782 . 0 0 "[ . 1 . 2]" 2
557 1 34 SER H 1 34 SER HB3 3.470 . 3.470 2.528 2.302 3.529 0.059 8 0 "[ . 1 . 2]" 2
558 1 38 SER H 1 38 SER HB2 4.060 . 4.060 3.284 2.535 3.595 . 0 0 "[ . 1 . 2]" 2
559 1 38 SER H 1 38 SER HB3 4.220 . 4.220 3.069 2.413 3.592 . 0 0 "[ . 1 . 2]" 2
560 1 19 PHE HA 1 19 PHE HB2 2.910 . 2.910 2.756 2.680 2.823 . 0 0 "[ . 1 . 2]" 2
561 1 18 GLU HA 1 19 PHE H 4.390 . 4.390 3.563 3.533 3.582 . 0 0 "[ . 1 . 2]" 2
562 1 38 SER HA 1 40 GLN H 3.950 . 3.950 3.990 3.928 4.041 0.091 11 0 "[ . 1 . 2]" 2
563 1 33 ILE MG 1 34 SER HA 3.730 . 3.730 2.985 2.872 3.112 . 0 0 "[ . 1 . 2]" 2
564 1 53 ILE HA 1 53 ILE HG13 3.750 . 3.750 2.277 2.256 2.318 . 0 0 "[ . 1 . 2]" 2
565 1 14 LYS HA 1 15 LYS H 4.380 . 4.380 3.567 3.455 3.587 . 0 0 "[ . 1 . 2]" 2
566 1 14 LYS HA 1 14 LYS HD3 3.600 . 3.600 3.705 2.636 3.910 0.310 7 0 "[ . 1 . 2]" 2
567 1 27 SER HA 1 27 SER HB3 2.420 . 2.420 2.494 2.451 2.621 0.201 9 0 "[ . 1 . 2]" 2
568 1 51 GLU HA 1 53 ILE H 4.380 . 4.380 4.460 4.399 4.512 0.132 7 0 "[ . 1 . 2]" 2
569 1 51 GLU HA 1 54 LYS H 4.030 . 4.030 3.138 3.089 3.186 . 0 0 "[ . 1 . 2]" 2
570 1 51 GLU HA 1 55 LYS H 4.090 . 4.090 4.217 4.146 4.274 0.184 7 0 "[ . 1 . 2]" 2
571 1 51 GLU HA 1 54 LYS HB3 3.210 . 3.210 2.233 2.219 2.251 . 0 0 "[ . 1 . 2]" 2
572 1 58 THR HA 1 59 ASP H 4.210 . 4.210 2.693 2.420 2.938 . 0 0 "[ . 1 . 2]" 2
573 1 27 SER HA 1 28 LYS H 3.740 . 3.740 3.478 3.454 3.504 . 0 0 "[ . 1 . 2]" 2
574 1 27 SER HA 1 33 ILE MD 3.430 . 3.430 2.267 2.100 2.357 . 0 0 "[ . 1 . 2]" 2
575 1 77 GLU HA 1 78 LYS H 4.020 . 4.020 3.461 3.432 3.497 . 0 0 "[ . 1 . 2]" 2
576 1 77 GLU HA 1 79 GLY H 4.520 . 4.520 4.052 3.753 4.334 . 0 0 "[ . 1 . 2]" 2
577 1 77 GLU HA 1 77 GLU QB 2.540 . 2.540 2.458 2.373 2.497 . 0 0 "[ . 1 . 2]" 2
578 1 68 ARG HA 1 68 ARG HB2 2.890 . 2.890 2.773 2.590 2.950 0.060 10 0 "[ . 1 . 2]" 2
579 1 53 ILE H 1 53 ILE MD 3.850 . 3.850 2.660 2.484 2.846 . 0 0 "[ . 1 . 2]" 2
580 1 15 LYS H 1 15 LYS HA 3.040 . 3.040 2.689 2.672 2.712 . 0 0 "[ . 1 . 2]" 2
581 1 24 GLU HA 1 24 GLU HG3 3.000 . 3.000 2.921 2.324 3.438 0.438 11 0 "[ . 1 . 2]" 2
582 1 54 LYS HA 1 58 THR MG 4.500 2.800 4.500 3.717 2.207 4.216 0.593 7 1 "[ . + 1 . 2]" 2
583 1 21 PHE HA 1 21 PHE HD1 3.540 . 3.540 2.595 2.297 2.810 . 0 0 "[ . 1 . 2]" 2
584 1 85 SER HA 1 86 HIS H 3.020 . 3.020 2.137 2.127 2.154 . 0 0 "[ . 1 . 2]" 2
585 1 67 LEU HA 1 67 LEU HB2 2.890 . 2.890 2.944 2.917 3.007 0.117 12 0 "[ . 1 . 2]" 2
586 1 16 GLN HA 1 19 PHE HB2 5.120 3.800 5.120 3.741 3.696 3.806 0.104 4 0 "[ . 1 . 2]" 2
587 1 31 TYR QD 1 32 LEU HA 5.540 2.800 5.540 3.990 3.152 4.112 . 0 0 "[ . 1 . 2]" 2
588 1 32 LEU HA 1 32 LEU HB2 3.090 . 3.090 3.017 2.954 3.023 . 0 0 "[ . 1 . 2]" 2
589 1 26 LEU HA 1 26 LEU HB3 2.890 . 2.890 2.947 2.912 2.975 0.085 1 0 "[ . 1 . 2]" 2
590 1 55 LYS H 1 55 LYS HA 3.040 . 3.040 2.878 2.860 2.895 . 0 0 "[ . 1 . 2]" 2
591 1 42 ILE HA 1 42 ILE MG 2.610 . 2.610 2.493 2.444 2.563 . 0 0 "[ . 1 . 2]" 2
592 1 61 ASP HA 1 61 ASP HB2 3.110 . 3.110 2.856 2.749 2.929 . 0 0 "[ . 1 . 2]" 2
593 1 26 LEU HA 1 29 ASP HB2 3.680 . 3.680 2.258 2.209 2.497 . 0 0 "[ . 1 . 2]" 2
594 1 62 LEU HA 1 62 LEU MD1 2.760 . 2.760 2.393 2.156 2.698 . 0 0 "[ . 1 . 2]" 2
595 1 62 LEU HA 1 65 GLU HB2 2.780 . 2.780 2.795 2.618 2.893 0.113 13 0 "[ . 1 . 2]" 2
596 1 50 MET HA 1 50 MET HB3 2.890 . 2.890 2.927 2.693 3.016 0.126 18 0 "[ . 1 . 2]" 2
597 1 78 LYS HA 1 78 LYS HB2 2.640 . 2.640 2.723 2.385 2.950 0.310 13 0 "[ . 1 . 2]" 2
598 1 8 ASP HA 1 9 LEU H 3.710 . 3.710 3.553 3.514 3.576 . 0 0 "[ . 1 . 2]" 2
599 1 28 LYS HA 1 28 LYS HB2 2.820 . 2.820 2.612 2.453 2.822 0.002 20 0 "[ . 1 . 2]" 2
600 1 56 LEU HA 1 56 LEU MD1 2.820 . 2.820 2.059 1.994 2.122 . 0 0 "[ . 1 . 2]" 2
601 1 35 GLN HA 1 35 GLN HG2 3.730 . 3.730 2.642 2.519 2.736 . 0 0 "[ . 1 . 2]" 2
602 1 35 GLN HA 1 35 GLN HB3 3.080 . 3.080 2.507 2.431 2.578 . 0 0 "[ . 1 . 2]" 2
603 1 48 ALA HA 1 49 ASN H 4.010 . 4.010 3.411 3.378 3.507 . 0 0 "[ . 1 . 2]" 2
604 1 3 ALA HA 1 4 VAL H 3.060 . 3.060 2.679 2.147 3.153 0.093 16 0 "[ . 1 . 2]" 2
605 1 3 ALA HA 1 4 VAL MG2 4.200 . 4.200 3.636 3.218 4.049 . 0 0 "[ . 1 . 2]" 2
606 1 41 PHE HD1 1 83 ARG HA 4.130 . 4.130 3.731 3.652 3.892 . 0 0 "[ . 1 . 2]" 2
607 1 42 ILE MG 1 43 PRO HD2 3.610 . 3.610 2.076 1.959 2.196 . 0 0 "[ . 1 . 2]" 2
608 1 59 ASP H 1 60 PRO QD 4.590 . 4.590 4.117 3.914 4.378 . 0 0 "[ . 1 . 2]" 2
609 1 70 SER H 1 71 PRO HD3 4.590 . 4.590 3.748 3.453 4.172 . 0 0 "[ . 1 . 2]" 2
610 1 60 PRO QD 1 61 ASP H 3.880 . 3.880 2.550 2.284 2.721 . 0 0 "[ . 1 . 2]" 2
611 1 70 SER HA 1 71 PRO HD3 2.860 . 2.860 2.377 2.187 2.500 . 0 0 "[ . 1 . 2]" 2
612 1 40 GLN HB3 1 84 PRO HD2 3.710 . 3.710 3.808 3.746 3.888 0.178 16 0 "[ . 1 . 2]" 2
613 1 79 GLY HA3 1 80 GLU H 4.270 . 4.270 3.569 3.558 3.582 . 0 0 "[ . 1 . 2]" 2
614 1 41 PHE HA 1 83 ARG HD3 4.990 . 4.990 4.282 3.920 4.459 . 0 0 "[ . 1 . 2]" 2
615 1 83 ARG HA 1 83 ARG HD3 4.970 . 4.970 4.825 4.696 4.954 . 0 0 "[ . 1 . 2]" 2
616 1 53 ILE HA 1 56 LEU HB2 4.230 . 4.230 2.233 2.185 2.470 . 0 0 "[ . 1 . 2]" 2
617 1 23 ARG HD2 1 23 ARG HG2 2.850 . 2.850 2.654 2.262 3.019 0.169 12 0 "[ . 1 . 2]" 2
618 1 67 LEU HB2 1 67 LEU MD1 2.990 . 2.990 2.977 2.379 3.130 0.140 7 0 "[ . 1 . 2]" 2
619 1 9 LEU H 1 9 LEU HB2 3.450 . 3.450 2.277 2.081 2.337 . 0 0 "[ . 1 . 2]" 2
620 1 26 LEU HA 1 26 LEU HB2 3.050 . 3.050 2.685 2.639 2.786 . 0 0 "[ . 1 . 2]" 2
621 1 9 LEU HB2 1 9 LEU MD2 2.810 . 2.810 2.401 2.304 2.501 . 0 0 "[ . 1 . 2]" 2
622 1 26 LEU HB3 1 33 ILE MD 3.070 . 3.070 3.045 2.784 3.104 0.034 14 0 "[ . 1 . 2]" 2
623 1 62 LEU H 1 62 LEU HB2 3.300 . 3.300 2.964 2.299 3.447 0.147 7 0 "[ . 1 . 2]" 2
624 1 31 TYR HB3 1 32 LEU HB2 5.030 2.800 5.030 4.547 4.026 4.670 . 0 0 "[ . 1 . 2]" 2
625 1 30 LEU HB2 1 31 TYR H 4.630 . 4.630 3.198 2.505 3.535 . 0 0 "[ . 1 . 2]" 2
626 1 32 LEU HB3 1 33 ILE H 3.770 . 3.770 3.220 2.686 3.319 . 0 0 "[ . 1 . 2]" 2
627 1 76 ASP H 1 76 ASP HB2 4.020 . 4.020 2.644 2.456 2.863 . 0 0 "[ . 1 . 2]" 2
628 1 8 ASP HA 1 8 ASP HB2 3.100 . 3.100 2.811 2.447 3.028 . 0 0 "[ . 1 . 2]" 2
629 1 41 PHE HB3 1 41 PHE HD1 3.830 . 3.830 2.897 2.772 2.961 . 0 0 "[ . 1 . 2]" 2
630 1 29 ASP HB3 1 33 ILE MD 4.630 . 4.630 3.549 3.229 3.806 . 0 0 "[ . 1 . 2]" 2
631 1 45 TRP HE3 1 49 ASN HB2 4.560 . 4.560 2.566 2.287 2.942 . 0 0 "[ . 1 . 2]" 2
632 1 49 ASN HB3 1 50 MET HA 4.810 . 4.810 4.344 4.120 4.494 . 0 0 "[ . 1 . 2]" 2
633 1 25 ASN HB3 1 26 LEU QD 5.350 . 5.350 4.204 3.691 4.505 . 0 0 "[ . 1 . 2]" 2
634 1 20 CYS HA 1 25 ASN HB2 4.380 . 4.380 3.786 2.931 4.225 . 0 0 "[ . 1 . 2]" 2
635 1 21 PHE HB2 1 26 LEU QD 5.120 . 5.120 4.120 3.717 4.525 . 0 0 "[ . 1 . 2]" 2
636 1 18 GLU H 1 18 GLU HG2 3.550 . 3.550 2.701 1.822 3.605 0.055 16 0 "[ . 1 . 2]" 2
637 1 73 VAL HB 1 74 GLN HA 5.040 . 5.040 4.834 4.706 5.196 0.156 13 0 "[ . 1 . 2]" 2
638 1 15 LYS H 1 15 LYS HE3 3.860 . 3.860 4.048 3.946 4.164 0.304 15 0 "[ . 1 . 2]" 2
639 1 36 MET HB2 1 37 ASP H 4.480 . 4.480 4.517 4.489 4.553 0.073 9 0 "[ . 1 . 2]" 2
640 1 64 LEU QD 1 65 GLU HG3 4.300 . 4.300 2.409 2.240 2.699 . 0 0 "[ . 1 . 2]" 2
641 1 41 PHE HD1 1 82 VAL HB 5.260 . 5.260 5.199 5.058 5.352 0.092 13 0 "[ . 1 . 2]" 2
642 1 36 MET HG2 1 42 ILE HG12 4.170 . 4.170 4.063 3.784 4.276 0.106 6 0 "[ . 1 . 2]" 2
643 1 50 MET HB2 1 52 GLU H 4.960 . 4.960 4.765 4.218 4.976 0.016 5 0 "[ . 1 . 2]" 2
644 1 80 GLU H 1 80 GLU HB3 4.080 . 4.080 3.852 3.149 3.950 . 0 0 "[ . 1 . 2]" 2
645 1 42 ILE H 1 83 ARG HB3 4.850 . 4.850 4.270 4.012 4.406 . 0 0 "[ . 1 . 2]" 2
646 1 83 ARG HB3 1 84 PRO HD3 4.970 . 4.970 4.331 4.115 4.472 . 0 0 "[ . 1 . 2]" 2
647 1 26 LEU QD 1 84 PRO HB2 3.970 . 3.970 2.853 2.344 3.347 . 0 0 "[ . 1 . 2]" 2
648 1 49 ASN HA 1 54 LYS HB2 4.770 . 4.770 4.074 3.920 4.289 . 0 0 "[ . 1 . 2]" 2
649 1 43 PRO HB3 1 45 TRP H 4.980 . 4.980 3.721 3.601 3.912 . 0 0 "[ . 1 . 2]" 2
650 1 43 PRO HB3 1 46 THR MG 4.630 . 4.630 4.350 4.260 4.473 . 0 0 "[ . 1 . 2]" 2
651 1 63 ILE H 1 63 ILE HG13 3.520 . 3.520 3.030 2.190 4.052 0.532 17 2 "[ . 1 . + -]" 2
652 1 81 LYS QB 1 81 LYS HD2 2.400 . 2.400 2.440 2.212 2.520 0.120 7 0 "[ . 1 . 2]" 2
653 1 51 GLU HB3 1 52 GLU H 3.620 . 3.620 2.577 2.327 2.923 . 0 0 "[ . 1 . 2]" 2
654 1 62 LEU MD1 1 65 GLU HB2 3.680 . 3.680 2.687 2.318 3.070 . 0 0 "[ . 1 . 2]" 2
655 1 77 GLU HA 1 77 GLU HB3 2.880 . 2.880 2.982 2.913 3.015 0.135 6 0 "[ . 1 . 2]" 2
656 1 45 TRP HB2 1 48 ALA MB 4.460 . 4.460 4.070 3.826 4.247 . 0 0 "[ . 1 . 2]" 2
657 1 26 LEU QD 1 84 PRO HG3 3.580 . 3.580 2.031 1.919 2.156 . 0 0 "[ . 1 . 2]" 2
658 1 9 LEU H 1 9 LEU HG 4.260 . 4.260 3.683 3.612 4.067 . 0 0 "[ . 1 . 2]" 2
659 1 20 CYS HB3 1 21 PHE HD1 4.760 . 4.760 3.245 2.995 3.511 . 0 0 "[ . 1 . 2]" 2
660 1 17 LEU H 1 17 LEU HG 3.790 . 3.790 3.964 3.786 4.024 0.234 8 0 "[ . 1 . 2]" 2
661 1 12 CYS HB2 1 13 LEU H 3.730 . 3.730 2.540 2.406 2.951 . 0 0 "[ . 1 . 2]" 2
662 1 40 GLN HB2 1 83 ARG HB2 4.890 . 4.890 2.464 2.276 2.632 . 0 0 "[ . 1 . 2]" 2
663 1 56 LEU H 1 56 LEU HG 4.050 . 4.050 4.229 4.020 4.363 0.313 16 0 "[ . 1 . 2]" 2
664 1 26 LEU HA 1 26 LEU HG 3.890 . 3.890 2.748 2.208 3.607 . 0 0 "[ . 1 . 2]" 2
665 1 12 CYS H 1 13 LEU MD2 4.450 . 4.450 3.891 3.413 4.152 . 0 0 "[ . 1 . 2]" 2
666 1 78 LYS HA 1 78 LYS HG2 3.420 . 3.420 2.579 2.261 3.479 0.059 7 0 "[ . 1 . 2]" 2
667 1 64 LEU HG 1 65 GLU H 4.120 . 4.120 4.366 4.262 4.397 0.277 10 0 "[ . 1 . 2]" 2
668 1 14 LYS HG3 1 15 LYS HA 5.060 . 5.060 5.119 3.416 5.541 0.481 17 0 "[ . 1 . 2]" 2
669 1 26 LEU H 1 26 LEU QD 4.070 . 4.070 3.410 3.147 3.523 . 0 0 "[ . 1 . 2]" 2
670 1 64 LEU QD 1 65 GLU H 3.700 . 3.700 1.684 1.661 1.708 0.139 12 0 "[ . 1 . 2]" 2
671 1 65 GLU H 1 66 VAL MG2 4.860 . 4.860 3.704 3.535 3.856 . 0 0 "[ . 1 . 2]" 2
672 1 62 LEU HA 1 66 VAL MG2 4.530 . 4.530 4.130 3.960 4.234 . 0 0 "[ . 1 . 2]" 2
673 1 41 PHE HD1 1 82 VAL MG2 4.760 . 4.760 4.284 4.171 4.492 . 0 0 "[ . 1 . 2]" 2
674 1 21 PHE HD1 1 73 VAL MG2 4.480 . 4.480 4.087 3.600 4.283 . 0 0 "[ . 1 . 2]" 2
675 1 73 VAL MG2 1 74 GLN H 3.980 . 3.980 3.703 3.352 3.830 . 0 0 "[ . 1 . 2]" 2
676 1 73 VAL H 1 73 VAL MG2 3.980 . 3.980 2.968 2.805 3.517 . 0 0 "[ . 1 . 2]" 2
677 1 72 MET HG2 1 73 VAL MG2 4.320 . 4.320 2.438 2.243 3.107 . 0 0 "[ . 1 . 2]" 2
678 1 45 TRP HB2 1 45 TRP HE3 4.030 . 4.030 2.805 2.732 2.842 . 0 0 "[ . 1 . 2]" 2
679 1 45 TRP HB3 1 45 TRP HE3 4.220 . 4.220 4.224 4.204 4.232 0.012 8 0 "[ . 1 . 2]" 2
680 1 45 TRP HE3 1 46 THR HA 4.100 . 4.100 3.786 3.237 4.129 0.029 12 0 "[ . 1 . 2]" 2
681 1 45 TRP HE3 1 48 ALA MB 4.480 . 4.480 4.000 3.693 4.242 . 0 0 "[ . 1 . 2]" 2
682 1 48 ALA MB 1 49 ASN H 3.390 . 3.390 3.039 2.730 3.122 . 0 0 "[ . 1 . 2]" 2
683 1 45 TRP H 1 46 THR HB 4.480 . 4.480 4.549 4.477 4.607 0.127 4 0 "[ . 1 . 2]" 2
684 1 36 MET H 1 36 MET ME 4.760 . 4.760 4.538 4.513 4.565 . 0 0 "[ . 1 . 2]" 2
685 1 36 MET ME 1 84 PRO HD3 3.660 . 3.660 3.189 2.823 3.354 . 0 0 "[ . 1 . 2]" 2
686 1 53 ILE HG13 1 53 ILE MG 3.470 . 3.470 2.388 2.323 2.441 . 0 0 "[ . 1 . 2]" 2
687 1 33 ILE H 1 33 ILE MG 3.680 . 3.680 3.444 3.391 3.508 . 0 0 "[ . 1 . 2]" 2
688 1 63 ILE HA 1 63 ILE MG 3.320 . 3.320 2.538 2.436 2.644 . 0 0 "[ . 1 . 2]" 2
689 1 46 THR HA 1 49 ASN HB3 3.950 . 3.950 3.924 3.724 3.996 0.046 7 0 "[ . 1 . 2]" 2
690 1 47 VAL HA 1 47 VAL MG1 3.420 . 3.420 2.716 2.286 3.169 . 0 0 "[ . 1 . 2]" 2
691 1 63 ILE HA 1 66 VAL H 4.410 . 4.410 3.602 3.357 3.834 . 0 0 "[ . 1 . 2]" 2
692 1 63 ILE HA 1 67 LEU H 4.820 . 4.820 4.513 4.034 4.703 . 0 0 "[ . 1 . 2]" 2
693 1 63 ILE HA 1 64 LEU H 4.200 . 4.200 3.590 3.568 3.610 . 0 0 "[ . 1 . 2]" 2
694 1 62 LEU HG 1 63 ILE HA 4.560 . 4.560 3.643 2.877 4.973 0.413 16 0 "[ . 1 . 2]" 2
695 1 42 ILE MD 1 83 ARG HA 4.710 . 4.710 2.278 2.222 2.379 . 0 0 "[ . 1 . 2]" 2
696 1 60 PRO HA 1 60 PRO HB3 2.990 . 2.990 2.287 2.262 2.306 . 0 0 "[ . 1 . 2]" 2
697 1 70 SER HB2 1 73 VAL MG1 3.560 . 3.560 3.189 2.233 3.352 . 0 0 "[ . 1 . 2]" 2
698 1 85 SER H 1 85 SER HB2 3.650 . 3.650 3.450 3.105 3.643 . 0 0 "[ . 1 . 2]" 2
699 1 73 VAL H 1 85 SER HB3 4.550 . 4.550 4.236 3.754 4.569 0.019 10 0 "[ . 1 . 2]" 2
700 1 12 CYS HA 1 13 LEU H 4.340 . 4.340 3.576 3.514 3.600 . 0 0 "[ . 1 . 2]" 2
701 1 12 CYS HA 1 12 CYS HB2 3.040 . 3.040 3.023 3.013 3.031 . 0 0 "[ . 1 . 2]" 2
702 1 26 LEU HA 1 33 ILE MD 3.230 . 3.230 3.448 3.367 3.531 0.301 7 0 "[ . 1 . 2]" 2
703 1 73 VAL MG2 1 84 PRO HA 4.450 . 4.450 2.804 2.198 3.436 . 0 0 "[ . 1 . 2]" 2
704 1 38 SER HA 1 38 SER HB3 2.500 . 2.500 2.318 2.215 2.503 0.003 3 0 "[ . 1 . 2]" 2
705 1 53 ILE HA 1 53 ILE HG12 3.720 . 3.720 3.455 3.440 3.468 . 0 0 "[ . 1 . 2]" 2
706 1 53 ILE HA 1 56 LEU MD2 2.840 . 2.840 2.503 2.011 2.804 . 0 0 "[ . 1 . 2]" 2
707 1 53 ILE HA 1 56 LEU HG 3.700 . 3.700 3.728 3.316 3.941 0.241 9 0 "[ . 1 . 2]" 2
708 1 75 VAL HA 1 75 VAL HB 2.900 . 2.900 2.332 2.234 2.603 . 0 0 "[ . 1 . 2]" 2
709 1 77 GLU HA 1 77 GLU HG2 3.130 . 3.130 2.605 2.267 3.451 0.321 19 0 "[ . 1 . 2]" 2
710 1 77 GLU HA 1 77 GLU HB2 2.590 . 2.590 2.619 2.483 2.717 0.127 19 0 "[ . 1 . 2]" 2
711 1 68 ARG HA 1 69 SER H 3.730 . 3.730 3.408 3.366 3.526 . 0 0 "[ . 1 . 2]" 2
712 1 52 GLU QG 1 53 ILE MD 5.090 3.800 5.090 3.882 2.242 4.504 1.558 17 2 "[ .- 1 . + 2]" 2
713 1 52 GLU HB3 1 53 ILE MD 5.240 3.800 5.240 3.769 3.355 4.169 0.445 12 0 "[ . 1 . 2]" 2
714 1 7 GLU HA 1 7 GLU QB 2.670 . 2.670 2.406 2.250 2.539 . 0 0 "[ . 1 . 2]" 2
715 1 11 GLU HA 1 11 GLU HG2 3.210 . 3.210 3.022 2.391 3.460 0.250 5 0 "[ . 1 . 2]" 2
716 1 11 GLU HA 1 11 GLU HB3 2.990 . 2.990 2.739 2.394 2.873 . 0 0 "[ . 1 . 2]" 2
717 1 41 PHE HD1 1 82 VAL HA 3.400 . 3.400 2.971 2.796 3.138 . 0 0 "[ . 1 . 2]" 2
718 1 82 VAL HA 1 82 VAL HB 3.030 . 3.030 2.355 2.320 2.381 . 0 0 "[ . 1 . 2]" 2
719 1 82 VAL HA 1 82 VAL MG1 3.340 . 3.340 3.110 3.100 3.131 . 0 0 "[ . 1 . 2]" 2
720 1 21 PHE HA 1 26 LEU HB2 2.730 . 2.730 2.251 2.216 2.337 . 0 0 "[ . 1 . 2]" 2
721 1 9 LEU HA 1 13 LEU H 3.910 . 3.910 4.070 4.000 4.128 0.218 8 0 "[ . 1 . 2]" 2
722 1 16 GLN HA 1 17 LEU H 4.060 . 4.060 3.556 3.539 3.573 . 0 0 "[ . 1 . 2]" 2
723 1 85 SER HA 1 85 SER HB3 2.850 . 2.850 2.876 2.709 3.004 0.154 14 0 "[ . 1 . 2]" 2
724 1 30 LEU HA 1 31 TYR H 3.630 . 3.630 3.434 3.419 3.556 . 0 0 "[ . 1 . 2]" 2
725 1 26 LEU HA 1 29 ASP HB3 3.890 . 3.890 2.623 2.279 2.921 . 0 0 "[ . 1 . 2]" 2
726 1 36 MET HA 1 42 ILE MG 4.250 . 4.250 3.840 3.693 4.020 . 0 0 "[ . 1 . 2]" 2
727 1 36 MET HA 1 42 ILE HA 4.270 . 4.270 2.277 2.224 2.392 . 0 0 "[ . 1 . 2]" 2
728 1 28 LYS HA 1 28 LYS QG 3.450 . 3.450 2.269 2.110 2.477 . 0 0 "[ . 1 . 2]" 2
729 1 44 ILE MG 1 80 GLU HA 4.330 . 4.330 3.078 2.874 3.408 . 0 0 "[ . 1 . 2]" 2
730 1 84 PRO HB2 1 84 PRO HD2 3.600 . 3.600 3.799 3.631 3.900 0.300 8 0 "[ . 1 . 2]" 2
731 1 83 ARG HB2 1 84 PRO HD2 3.740 . 3.740 2.782 2.597 2.964 . 0 0 "[ . 1 . 2]" 2
732 1 83 ARG HB3 1 84 PRO HD2 3.860 . 3.860 3.881 3.666 4.027 0.167 19 0 "[ . 1 . 2]" 2
733 1 84 PRO HB2 1 84 PRO HD3 3.860 . 3.860 4.021 3.983 4.049 0.189 9 0 "[ . 1 . 2]" 2
734 1 45 TRP HB2 1 45 TRP HE1 5.500 . 5.500 5.200 5.191 5.216 . 0 0 "[ . 1 . 2]" 2
735 1 43 PRO HB2 1 45 TRP HE1 5.040 . 5.040 3.864 3.371 4.218 . 0 0 "[ . 1 . 2]" 2
736 1 75 VAL H 1 76 ASP H 5.500 . 5.500 4.539 4.429 4.625 . 0 0 "[ . 1 . 2]" 2
737 1 74 GLN HA 1 75 VAL H 3.200 . 3.200 2.120 2.088 2.150 . 0 0 "[ . 1 . 2]" 2
738 1 74 GLN HB3 1 75 VAL H 4.390 . 4.390 4.383 4.277 4.447 0.057 11 0 "[ . 1 . 2]" 2
739 1 76 ASP H 1 81 LYS H 4.690 3.600 4.690 3.630 3.476 3.727 0.124 14 0 "[ . 1 . 2]" 2
740 1 76 ASP H 1 82 VAL H 5.460 . 5.460 4.363 4.147 4.713 . 0 0 "[ . 1 . 2]" 2
741 1 76 ASP H 1 82 VAL MG1 4.360 . 4.360 3.800 3.733 3.951 . 0 0 "[ . 1 . 2]" 2
742 1 44 ILE H 1 45 TRP H 4.420 . 4.420 2.842 2.777 3.007 . 0 0 "[ . 1 . 2]" 2
743 1 43 PRO HA 1 44 ILE H 3.620 . 3.620 2.195 2.130 2.222 . 0 0 "[ . 1 . 2]" 2
744 1 44 ILE H 1 44 ILE HG13 3.750 . 3.750 3.676 3.602 3.833 0.083 12 0 "[ . 1 . 2]" 2
745 1 59 ASP H 1 63 ILE H 5.500 . 5.500 4.688 4.077 4.947 . 0 0 "[ . 1 . 2]" 2
746 1 59 ASP H 1 63 ILE HB 5.380 . 5.380 5.140 4.535 5.550 0.170 5 0 "[ . 1 . 2]" 2
747 1 58 THR MG 1 59 ASP H 5.410 . 5.410 4.296 4.117 4.359 . 0 0 "[ . 1 . 2]" 2
748 1 51 GLU H 1 52 GLU H 4.960 . 4.960 3.016 2.897 3.146 . 0 0 "[ . 1 . 2]" 2
749 1 85 SER HB3 1 86 HIS H 4.440 . 4.440 4.533 4.447 4.573 0.133 2 0 "[ . 1 . 2]" 2
750 1 84 PRO HB2 1 86 HIS H 4.740 . 4.740 4.781 4.750 4.815 0.075 5 0 "[ . 1 . 2]" 2
751 1 82 VAL MG1 1 83 ARG H 4.280 . 4.280 4.019 3.911 4.075 . 0 0 "[ . 1 . 2]" 2
752 1 41 PHE HD1 1 83 ARG H 4.430 . 4.430 2.805 2.634 3.205 . 0 0 "[ . 1 . 2]" 2
753 1 8 ASP HB2 1 9 LEU H 3.880 . 3.880 3.104 2.373 3.880 0.000 11 0 "[ . 1 . 2]" 2
754 1 9 LEU H 1 9 LEU MD2 4.210 . 4.210 1.750 1.684 2.211 0.116 17 0 "[ . 1 . 2]" 2
755 1 61 ASP HA 1 62 LEU H 4.490 . 4.490 3.475 3.462 3.536 . 0 0 "[ . 1 . 2]" 2
756 1 59 ASP HB2 1 62 LEU H 4.610 . 4.610 3.443 2.792 3.728 . 0 0 "[ . 1 . 2]" 2
757 1 60 PRO HB3 1 62 LEU H 5.500 2.350 5.500 5.667 5.598 5.773 0.273 7 0 "[ . 1 . 2]" 2
758 1 62 LEU H 1 64 LEU QD 4.800 . 4.800 3.151 2.961 3.283 . 0 0 "[ . 1 . 2]" 2
759 1 36 MET H 1 37 ASP H 4.710 . 4.710 4.476 4.444 4.529 . 0 0 "[ . 1 . 2]" 2
760 1 37 ASP H 1 40 GLN HA 5.140 . 5.140 4.532 4.391 4.629 . 0 0 "[ . 1 . 2]" 2
761 1 36 MET HG3 1 37 ASP H 4.740 . 4.740 4.821 4.772 4.880 0.140 14 0 "[ . 1 . 2]" 2
762 1 29 ASP HA 1 30 LEU H 3.320 . 3.320 2.387 2.240 2.552 . 0 0 "[ . 1 . 2]" 2
763 1 29 ASP HB2 1 30 LEU H 5.200 . 5.200 4.643 4.599 4.670 . 0 0 "[ . 1 . 2]" 2
764 1 29 ASP HB3 1 30 LEU H 5.070 . 5.070 4.408 4.341 4.439 . 0 0 "[ . 1 . 2]" 2
765 1 30 LEU H 1 30 LEU HG 3.290 . 3.290 2.009 1.744 3.526 0.236 3 0 "[ . 1 . 2]" 2
766 1 45 TRP HA 1 47 VAL H 5.300 . 5.300 4.200 3.964 4.440 . 0 0 "[ . 1 . 2]" 2
767 1 39 ASP H 1 40 GLN H 3.530 . 3.530 2.927 2.863 3.013 . 0 0 "[ . 1 . 2]" 2
768 1 37 ASP HB2 1 39 ASP H 5.500 . 5.500 3.161 3.111 3.242 . 0 0 "[ . 1 . 2]" 2
769 1 41 PHE HD1 1 42 ILE H 4.570 . 4.570 3.949 3.755 4.104 . 0 0 "[ . 1 . 2]" 2
770 1 41 PHE HB2 1 42 ILE H 4.490 . 4.490 4.025 3.817 4.203 . 0 0 "[ . 1 . 2]" 2
771 1 42 ILE H 1 42 ILE HG13 4.010 . 4.010 3.619 3.317 3.914 . 0 0 "[ . 1 . 2]" 2
772 1 29 ASP H 1 33 ILE H 5.170 . 5.170 4.538 4.489 4.610 . 0 0 "[ . 1 . 2]" 2
773 1 28 LYS H 1 29 ASP H 3.410 . 3.410 2.629 2.605 2.651 . 0 0 "[ . 1 . 2]" 2
774 1 29 ASP H 1 30 LEU HA 5.500 . 5.500 4.685 4.498 4.839 . 0 0 "[ . 1 . 2]" 2
775 1 28 LYS HG3 1 29 ASP H 5.020 . 5.020 4.753 4.532 5.132 0.112 20 0 "[ . 1 . 2]" 2
776 1 13 LEU H 1 14 LYS H 3.940 . 3.940 2.773 2.528 2.969 . 0 0 "[ . 1 . 2]" 2
777 1 12 CYS H 1 13 LEU H 3.720 . 3.720 2.728 2.515 2.863 . 0 0 "[ . 1 . 2]" 2
778 1 67 LEU H 1 68 ARG H 3.930 . 3.930 2.810 2.658 2.924 . 0 0 "[ . 1 . 2]" 2
779 1 66 VAL H 1 67 LEU H 3.720 . 3.720 2.308 2.245 2.402 . 0 0 "[ . 1 . 2]" 2
780 1 66 VAL HB 1 67 LEU H 3.090 . 3.090 2.690 2.413 2.911 . 0 0 "[ . 1 . 2]" 2
781 1 67 LEU H 1 67 LEU HB3 3.700 . 3.700 3.498 3.454 3.593 . 0 0 "[ . 1 . 2]" 2
782 1 6 THR HA 1 7 GLU H 3.730 . 3.730 3.423 3.394 3.488 . 0 0 "[ . 1 . 2]" 2
783 1 7 GLU H 1 7 GLU HG2 4.250 . 4.250 3.144 1.924 4.332 0.082 12 0 "[ . 1 . 2]" 2
784 1 31 TYR HA 1 32 LEU H 5.060 . 5.060 3.586 3.576 3.593 . 0 0 "[ . 1 . 2]" 2
785 1 31 TYR HB3 1 32 LEU H 4.780 2.800 4.780 2.449 2.410 2.535 0.390 3 0 "[ . 1 . 2]" 2
786 1 32 LEU H 1 32 LEU HB2 3.340 . 3.340 2.457 2.081 2.522 . 0 0 "[ . 1 . 2]" 2
787 1 77 GLU H 1 77 GLU HG2 5.030 . 5.030 4.436 4.089 4.564 . 0 0 "[ . 1 . 2]" 2
788 1 77 GLU H 1 77 GLU HB3 3.790 . 3.790 2.820 2.578 3.039 . 0 0 "[ . 1 . 2]" 2
789 1 14 LYS H 1 15 LYS H 3.970 . 3.970 3.014 2.822 3.167 . 0 0 "[ . 1 . 2]" 2
790 1 14 LYS H 1 14 LYS HG3 4.490 . 4.490 4.366 2.703 4.623 0.133 10 0 "[ . 1 . 2]" 2
791 1 7 GLU H 1 8 ASP H 4.510 . 4.510 2.717 2.615 2.873 . 0 0 "[ . 1 . 2]" 2
792 1 6 THR HA 1 8 ASP H 4.010 . 4.010 3.782 3.474 4.005 . 0 0 "[ . 1 . 2]" 2
793 1 8 ASP H 1 8 ASP HB2 3.560 . 3.560 2.372 2.069 2.721 . 0 0 "[ . 1 . 2]" 2
794 1 7 GLU HG2 1 8 ASP H 5.460 . 5.460 4.815 4.152 5.431 . 0 0 "[ . 1 . 2]" 2
795 1 8 ASP H 1 9 LEU MD2 5.440 . 5.440 3.397 3.222 3.809 . 0 0 "[ . 1 . 2]" 2
796 1 50 MET H 1 50 MET HB3 3.530 . 3.530 2.946 2.388 3.464 . 0 0 "[ . 1 . 2]" 2
797 1 50 MET H 1 51 GLU H 5.420 . 5.420 4.478 4.371 4.562 . 0 0 "[ . 1 . 2]" 2
798 1 49 ASN H 1 50 MET H 3.620 . 3.620 2.438 1.991 2.721 . 0 0 "[ . 1 . 2]" 2
799 1 49 ASN HB2 1 50 MET H 4.820 . 4.820 4.303 3.939 4.453 . 0 0 "[ . 1 . 2]" 2
800 1 50 MET H 1 50 MET HB2 3.580 . 3.580 2.288 2.070 2.684 . 0 0 "[ . 1 . 2]" 2
801 1 17 LEU H 1 17 LEU HB2 3.400 . 3.400 2.136 2.038 2.278 . 0 0 "[ . 1 . 2]" 2
802 1 25 ASN HB2 1 26 LEU H 3.360 . 3.360 2.549 2.412 2.915 . 0 0 "[ . 1 . 2]" 2
803 1 25 ASN H 1 26 LEU H 3.600 . 3.600 2.809 2.663 3.092 . 0 0 "[ . 1 . 2]" 2
804 1 26 LEU H 1 26 LEU HB2 3.090 . 3.090 2.198 2.069 2.266 . 0 0 "[ . 1 . 2]" 2
805 1 80 GLU H 1 81 LYS H 3.340 . 3.340 1.745 1.663 1.895 0.137 7 0 "[ . 1 . 2]" 2
806 1 79 GLY H 1 81 LYS H 5.130 . 5.130 3.743 3.646 3.918 . 0 0 "[ . 1 . 2]" 2
807 1 76 ASP HA 1 81 LYS H 4.360 . 4.360 4.502 4.379 4.610 0.250 8 0 "[ . 1 . 2]" 2
808 1 80 GLU HB2 1 81 LYS H 4.330 . 4.330 3.354 2.944 4.448 0.118 14 0 "[ . 1 . 2]" 2
809 1 80 GLU HG2 1 81 LYS H 4.760 . 4.760 4.654 3.036 4.869 0.109 7 0 "[ . 1 . 2]" 2
810 1 44 ILE HG12 1 81 LYS H 4.040 . 4.040 2.949 2.714 3.337 . 0 0 "[ . 1 . 2]" 2
811 1 53 ILE H 1 54 LYS H 3.250 . 3.250 2.310 2.284 2.338 . 0 0 "[ . 1 . 2]" 2
812 1 54 LYS H 1 54 LYS HB3 3.400 . 3.400 2.817 2.653 2.958 . 0 0 "[ . 1 . 2]" 2
813 1 4 VAL MG2 1 5 SER H 5.500 . 5.500 3.923 1.777 4.445 0.023 4 0 "[ . 1 . 2]" 2
814 1 30 LEU H 1 31 TYR H 3.990 . 3.990 2.723 2.556 2.827 . 0 0 "[ . 1 . 2]" 2
815 1 29 ASP HA 1 31 TYR H 5.320 . 5.320 3.123 2.989 3.599 . 0 0 "[ . 1 . 2]" 2
816 1 74 GLN H 1 85 SER H 4.790 . 4.790 3.419 2.974 3.736 . 0 0 "[ . 1 . 2]" 2
817 1 35 GLN H 1 36 MET HG2 5.500 . 5.500 5.614 5.533 5.652 0.152 15 0 "[ . 1 . 2]" 2
818 1 11 GLU H 1 12 CYS H 3.740 . 3.740 2.508 2.368 2.672 . 0 0 "[ . 1 . 2]" 2
819 1 61 ASP H 1 62 LEU H 3.440 . 3.440 2.489 2.381 2.560 . 0 0 "[ . 1 . 2]" 2
820 1 60 PRO HB3 1 61 ASP H 3.580 . 3.580 3.837 3.733 3.878 0.298 14 0 "[ . 1 . 2]" 2
821 1 59 ASP HB2 1 61 ASP H 5.420 . 5.420 5.040 4.491 5.269 . 0 0 "[ . 1 . 2]" 2
822 1 63 ILE H 1 64 LEU H 3.900 . 3.900 3.171 3.076 3.257 . 0 0 "[ . 1 . 2]" 2
823 1 64 LEU H 1 64 LEU QD . . 3.800 1.452 1.423 1.478 0.377 1 0 "[ . 1 . 2]" 2
824 1 10 LYS H 1 11 GLU H 3.800 . 3.800 2.848 2.757 3.004 . 0 0 "[ . 1 . 2]" 2
825 1 11 GLU H 1 13 LEU H 5.090 . 5.090 4.297 3.960 4.477 . 0 0 "[ . 1 . 2]" 2
826 1 34 SER H 1 35 GLN H 3.820 . 3.820 2.463 2.413 2.533 . 0 0 "[ . 1 . 2]" 2
827 1 33 ILE HA 1 35 GLN H 5.080 . 5.080 4.231 4.009 4.366 . 0 0 "[ . 1 . 2]" 2
828 1 35 GLN H 1 35 GLN HB3 3.680 . 3.680 3.614 3.572 3.656 . 0 0 "[ . 1 . 2]" 2
829 1 35 GLN H 1 42 ILE HG13 4.770 . 4.770 4.685 4.547 4.839 0.069 14 0 "[ . 1 . 2]" 2
830 1 34 SER H 1 36 MET H 5.000 . 5.000 3.879 3.847 3.962 . 0 0 "[ . 1 . 2]" 2
831 1 33 ILE HA 1 36 MET H 4.570 . 4.570 3.641 3.451 3.778 . 0 0 "[ . 1 . 2]" 2
832 1 36 MET H 1 36 MET HB3 3.280 . 3.280 3.520 3.506 3.534 0.254 12 0 "[ . 1 . 2]" 2
833 1 35 GLN HB3 1 36 MET H 4.160 . 4.160 3.935 3.761 4.058 . 0 0 "[ . 1 . 2]" 2
834 1 36 MET H 1 42 ILE HG13 4.430 . 4.430 3.331 3.172 3.481 . 0 0 "[ . 1 . 2]" 2
835 1 19 PHE H 1 20 CYS H 3.780 . 3.780 2.527 2.448 2.686 . 0 0 "[ . 1 . 2]" 2
836 1 20 CYS H 1 21 PHE H 3.890 . 3.890 2.953 2.819 3.023 . 0 0 "[ . 1 . 2]" 2
837 1 16 GLN HA 1 20 CYS H 4.220 . 4.220 3.755 3.517 4.063 . 0 0 "[ . 1 . 2]" 2
838 1 16 GLN H 1 17 LEU H 3.760 . 3.760 2.735 2.501 2.980 . 0 0 "[ . 1 . 2]" 2
839 1 61 ASP HA 1 65 GLU H 5.310 . 5.310 5.176 5.050 5.244 . 0 0 "[ . 1 . 2]" 2
840 1 55 LYS H 1 56 LEU H 4.070 . 4.070 2.404 2.312 2.509 . 0 0 "[ . 1 . 2]" 2
841 1 55 LYS HA 1 56 LEU H 4.090 . 4.090 3.507 3.480 3.532 . 0 0 "[ . 1 . 2]" 2
842 1 56 LEU H 1 56 LEU MD2 3.910 . 3.910 2.557 1.729 3.081 0.071 7 0 "[ . 1 . 2]" 2
843 1 47 VAL H 1 48 ALA H 3.470 . 3.470 2.493 2.387 2.668 . 0 0 "[ . 1 . 2]" 2
844 1 47 VAL HA 1 48 ALA H 4.990 . 4.990 3.545 3.518 3.559 . 0 0 "[ . 1 . 2]" 2
845 1 47 VAL HB 1 48 ALA H 3.720 . 3.720 3.733 3.332 3.974 0.254 9 0 "[ . 1 . 2]" 2
846 1 47 VAL MG2 1 48 ALA H 4.220 . 4.220 2.187 1.743 2.912 0.057 4 0 "[ . 1 . 2]" 2
847 1 43 PRO HB2 1 45 TRP H 5.120 . 5.120 3.104 3.047 3.231 . 0 0 "[ . 1 . 2]" 2
848 1 26 LEU H 1 28 LYS H 5.460 . 5.460 3.857 3.720 3.985 . 0 0 "[ . 1 . 2]" 2
849 1 28 LYS H 1 29 ASP HB2 4.860 . 4.860 4.038 3.893 4.092 . 0 0 "[ . 1 . 2]" 2
850 1 28 LYS H 1 29 ASP HB3 4.890 . 4.890 4.756 4.582 4.955 0.065 14 0 "[ . 1 . 2]" 2
851 1 28 LYS H 1 28 LYS HB3 3.590 . 3.590 2.826 2.569 3.225 . 0 0 "[ . 1 . 2]" 2
852 1 82 VAL H 1 83 ARG H 4.630 . 4.630 4.234 4.188 4.345 . 0 0 "[ . 1 . 2]" 2
853 1 41 PHE HD1 1 82 VAL H 4.610 . 4.610 3.344 2.914 3.786 . 0 0 "[ . 1 . 2]" 2
854 1 41 PHE HB3 1 82 VAL H 5.500 . 5.500 2.174 2.022 2.778 . 0 0 "[ . 1 . 2]" 2
855 1 44 ILE HG12 1 80 GLU H 4.190 . 4.190 3.966 3.785 4.303 0.113 9 0 "[ . 1 . 2]" 2
856 1 24 GLU H 1 25 ASN H 4.400 . 4.400 2.519 2.454 2.633 . 0 0 "[ . 1 . 2]" 2
857 1 24 GLU H 1 24 GLU HG3 4.810 . 4.810 3.881 1.789 4.586 0.011 10 0 "[ . 1 . 2]" 2
858 1 18 GLU H 1 19 PHE H 4.310 . 4.310 2.916 2.827 3.025 . 0 0 "[ . 1 . 2]" 2
859 1 17 LEU HA 1 18 GLU H 4.200 . 4.200 3.584 3.576 3.603 . 0 0 "[ . 1 . 2]" 2
860 1 69 SER HA 1 70 SER H 4.270 . 4.270 3.149 3.048 3.275 . 0 0 "[ . 1 . 2]" 2
861 1 70 SER H 1 70 SER HB3 3.520 . 3.520 3.461 2.862 3.664 0.144 9 0 "[ . 1 . 2]" 2
862 1 76 ASP HA 1 80 GLU H 5.240 . 5.240 4.885 4.621 5.073 . 0 0 "[ . 1 . 2]" 2
863 1 10 LYS H 1 10 LYS HB2 3.690 . 3.690 2.375 2.100 3.603 . 0 0 "[ . 1 . 2]" 2
864 1 10 LYS H 1 10 LYS HB3 3.510 . 3.510 2.900 2.832 3.511 0.001 7 0 "[ . 1 . 2]" 2
865 1 84 PRO HA 1 85 SER H 3.300 . 3.300 2.221 2.187 2.279 . 0 0 "[ . 1 . 2]" 2
866 1 72 MET H 1 72 MET HG2 3.750 . 3.750 2.032 1.857 3.075 . 0 0 "[ . 1 . 2]" 2
867 1 13 LEU H 1 15 LYS H 5.310 . 5.310 4.594 4.175 4.840 . 0 0 "[ . 1 . 2]" 2
868 1 14 LYS HD3 1 15 LYS H 3.260 . 3.260 2.949 2.726 4.048 0.788 17 1 "[ . 1 . + 2]" 2
869 1 15 LYS H 1 15 LYS HG2 3.990 . 3.990 1.682 1.656 1.724 0.144 2 0 "[ . 1 . 2]" 2
870 1 14 LYS HG3 1 15 LYS H 5.190 . 5.190 4.310 1.876 4.767 . 0 0 "[ . 1 . 2]" 2
871 1 62 LEU HA 1 63 ILE H 3.490 . 3.490 3.566 3.542 3.600 0.110 9 0 "[ . 1 . 2]" 2
872 1 32 LEU HA 1 33 ILE H 5.130 . 5.130 3.570 3.563 3.574 . 0 0 "[ . 1 . 2]" 2
873 1 32 LEU HB2 1 33 ILE H 3.450 . 3.450 2.134 2.082 2.517 . 0 0 "[ . 1 . 2]" 2
874 1 71 PRO HD2 1 72 MET H 4.170 . 4.170 2.978 2.687 3.071 . 0 0 "[ . 1 . 2]" 2
875 1 53 ILE H 1 54 LYS HB2 4.300 . 4.300 4.338 4.270 4.381 0.081 7 0 "[ . 1 . 2]" 2
876 1 45 TRP H 1 46 THR H 3.960 . 3.960 2.632 2.527 2.696 . 0 0 "[ . 1 . 2]" 2
877 1 45 TRP HD1 1 46 THR H 5.490 . 5.490 2.939 2.746 3.257 . 0 0 "[ . 1 . 2]" 2
878 1 46 THR H 1 47 VAL H 3.630 . 3.630 2.848 2.678 2.902 . 0 0 "[ . 1 . 2]" 2
879 1 45 TRP HA 1 46 THR H 4.750 . 4.750 3.562 3.524 3.584 . 0 0 "[ . 1 . 2]" 2
880 1 45 TRP HB2 1 46 THR H 4.300 . 4.300 4.004 3.933 4.196 . 0 0 "[ . 1 . 2]" 2
881 1 45 TRP HB3 1 46 THR H 4.760 . 4.760 3.356 3.135 3.504 . 0 0 "[ . 1 . 2]" 2
882 1 43 PRO HB3 1 46 THR H 3.840 . 3.840 3.688 3.624 3.847 0.007 11 0 "[ . 1 . 2]" 2
883 1 46 THR H 1 46 THR MG 4.080 . 4.080 2.828 2.642 3.158 . 0 0 "[ . 1 . 2]" 2
884 1 68 ARG H 1 68 ARG HB2 3.230 . 3.230 2.208 2.054 3.503 0.273 19 0 "[ . 1 . 2]" 2
885 1 68 ARG H 1 68 ARG HB3 4.230 . 4.230 3.146 2.741 3.476 . 0 0 "[ . 1 . 2]" 2
886 1 67 LEU HB3 1 68 ARG H 4.190 . 4.190 3.423 3.089 3.889 . 0 0 "[ . 1 . 2]" 2
887 1 41 PHE H 1 42 ILE H 4.980 . 4.980 4.576 4.549 4.599 . 0 0 "[ . 1 . 2]" 2
888 1 37 ASP H 1 41 PHE H 4.490 . 4.490 3.534 3.347 3.650 . 0 0 "[ . 1 . 2]" 2
889 1 40 GLN H 1 41 PHE H 3.870 . 3.870 2.376 2.331 2.454 . 0 0 "[ . 1 . 2]" 2
890 1 41 PHE H 1 41 PHE HD1 4.080 . 4.080 3.986 3.916 4.072 . 0 0 "[ . 1 . 2]" 2
891 1 40 GLN HA 1 41 PHE H 4.240 . 4.240 3.134 3.088 3.161 . 0 0 "[ . 1 . 2]" 2
892 1 33 ILE H 1 34 SER H 3.880 . 3.880 2.891 2.827 2.927 . 0 0 "[ . 1 . 2]" 2
893 1 52 GLU H 1 54 LYS H 5.090 . 5.090 3.824 3.641 3.956 . 0 0 "[ . 1 . 2]" 2
894 1 33 ILE HB 1 34 SER H 3.760 . 3.760 3.258 3.172 3.393 . 0 0 "[ . 1 . 2]" 2
895 1 78 LYS H 1 80 GLU H . . 5.000 3.970 3.752 4.179 . 0 0 "[ . 1 . 2]" 2
896 1 77 GLU H 1 78 LYS H 4.810 . 4.810 2.524 2.434 2.648 . 0 0 "[ . 1 . 2]" 2
897 1 78 LYS H 1 79 GLY H 3.720 . 3.720 2.294 2.041 2.506 . 0 0 "[ . 1 . 2]" 2
898 1 78 LYS H 1 79 GLY HA3 5.430 . 5.430 4.990 4.778 5.158 . 0 0 "[ . 1 . 2]" 2
899 1 77 GLU HB3 1 78 LYS H 3.890 . 3.890 3.058 2.902 3.203 . 0 0 "[ . 1 . 2]" 2
900 1 52 GLU H 1 53 ILE H 3.930 . 3.930 2.883 2.687 3.004 . 0 0 "[ . 1 . 2]" 2
901 1 50 MET HA 1 52 GLU H 5.500 . 5.500 4.010 3.602 4.394 . 0 0 "[ . 1 . 2]" 2
902 1 54 LYS H 1 55 LYS H 3.970 . 3.970 2.731 2.656 2.815 . 0 0 "[ . 1 . 2]" 2
903 1 54 LYS HA 1 55 LYS H 4.350 . 4.350 3.474 3.426 3.529 . 0 0 "[ . 1 . 2]" 2
904 1 55 LYS H 1 56 LEU HB2 5.100 . 5.100 4.239 4.040 4.523 . 0 0 "[ . 1 . 2]" 2
905 1 55 LYS H 1 55 LYS HB3 3.060 . 3.060 2.300 2.127 2.958 . 0 0 "[ . 1 . 2]" 2
906 1 53 ILE MG 1 55 LYS H 5.500 . 5.500 4.242 4.089 4.470 . 0 0 "[ . 1 . 2]" 2
907 1 37 ASP HA 1 38 SER H 4.510 . 4.510 3.071 3.056 3.078 . 0 0 "[ . 1 . 2]" 2
908 1 57 THR HA 1 58 THR H 3.240 . 3.240 2.627 2.252 2.837 . 0 0 "[ . 1 . 2]" 2
909 1 57 THR HB 1 58 THR H 4.610 . 4.610 3.489 3.298 4.107 . 0 0 "[ . 1 . 2]" 2
910 1 67 LEU H 1 69 SER H 5.390 . 5.390 4.227 4.027 4.520 . 0 0 "[ . 1 . 2]" 2
911 1 68 ARG H 1 69 SER H 3.710 . 3.710 2.702 2.469 2.852 . 0 0 "[ . 1 . 2]" 2
912 1 68 ARG HB2 1 69 SER H 3.940 . 3.940 3.717 3.296 3.991 0.051 3 0 "[ . 1 . 2]" 2
913 1 56 LEU H 1 57 THR H 3.390 . 3.390 2.745 2.654 2.827 . 0 0 "[ . 1 . 2]" 2
914 1 56 LEU HB3 1 57 THR H 3.910 . 3.910 2.734 2.375 3.389 . 0 0 "[ . 1 . 2]" 2
915 1 55 LYS H 1 57 THR H 5.270 . 5.270 4.289 4.048 4.467 . 0 0 "[ . 1 . 2]" 2
916 1 55 LYS HA 1 57 THR H 4.670 . 4.670 4.631 4.281 4.767 0.097 13 0 "[ . 1 . 2]" 2
917 1 21 PHE H 1 21 PHE HE1 4.440 . 4.440 4.590 4.526 4.671 0.231 6 0 "[ . 1 . 2]" 2
918 1 21 PHE H 1 26 LEU QD 4.990 . 4.990 3.952 3.627 4.212 . 0 0 "[ . 1 . 2]" 2
919 1 73 VAL H 1 74 GLN H 4.870 . 4.870 4.420 4.351 4.484 . 0 0 "[ . 1 . 2]" 2
920 1 72 MET H 1 73 VAL H 3.460 . 3.460 2.725 2.493 2.888 . 0 0 "[ . 1 . 2]" 2
921 1 70 SER HB2 1 73 VAL H 5.290 . 5.290 4.136 2.772 5.350 0.060 13 0 "[ . 1 . 2]" 2
922 1 72 MET HG3 1 73 VAL H 5.240 . 5.240 4.513 4.351 4.624 . 0 0 "[ . 1 . 2]" 2
923 1 72 MET HG2 1 73 VAL H 4.520 . 4.520 3.177 2.988 3.376 . 0 0 "[ . 1 . 2]" 2
924 1 48 ALA H 1 49 ASN H 3.830 . 3.830 2.803 2.721 2.866 . 0 0 "[ . 1 . 2]" 2
925 1 39 ASP HA 1 40 GLN H 4.870 . 4.870 2.855 2.829 2.877 . 0 0 "[ . 1 . 2]" 2
926 1 39 ASP HB3 1 40 GLN H 5.110 . 5.110 4.186 4.167 4.200 . 0 0 "[ . 1 . 2]" 2
927 1 79 GLY H 1 80 GLU H 3.820 . 3.820 2.465 2.404 2.538 . 0 0 "[ . 1 . 2]" 2
928 1 76 ASP HA 1 79 GLY H 5.500 . 5.500 4.292 4.098 4.438 . 0 0 "[ . 1 . 2]" 2
929 1 78 LYS HA 1 79 GLY H 4.390 . 4.390 3.437 3.404 3.448 . 0 0 "[ . 1 . 2]" 2
930 1 26 LEU H 1 27 SER H 3.810 . 3.810 2.830 2.687 2.987 . 0 0 "[ . 1 . 2]" 2
931 1 27 SER H 1 28 LYS H 3.770 . 3.770 2.794 2.742 2.834 . 0 0 "[ . 1 . 2]" 2
932 1 26 LEU HB2 1 27 SER H 4.050 . 4.050 3.346 3.120 3.461 . 0 0 "[ . 1 . 2]" 2
933 1 27 SER H 1 33 ILE MD 4.570 . 4.570 3.444 3.336 3.542 . 0 0 "[ . 1 . 2]" 2
934 1 157 ILE HB 1 158 MET H 5.290 . 5.290 3.517 3.432 3.648 . 0 0 "[ . 1 . 2]" 2
935 1 157 ILE HG12 1 158 MET H 5.480 . 5.480 4.664 4.568 4.721 . 0 0 "[ . 1 . 2]" 2
936 1 122 PHE HB3 1 123 ALA H 5.040 . 5.040 3.008 2.874 3.609 . 0 0 "[ . 1 . 2]" 2
937 1 123 ALA H 1 128 TRP HZ3 5.340 . 5.340 2.738 2.420 3.194 . 0 0 "[ . 1 . 2]" 2
938 1 122 PHE HD1 1 123 ALA H 4.650 . 4.650 4.336 4.284 4.509 . 0 0 "[ . 1 . 2]" 2
939 1 122 PHE HA 1 123 ALA H 3.400 . 3.400 2.233 2.158 2.270 . 0 0 "[ . 1 . 2]" 2
940 1 123 ALA H 1 123 ALA MB 3.490 . 3.490 2.659 2.439 2.736 . 0 0 "[ . 1 . 2]" 2
941 1 122 PHE HE1 1 128 TRP HE1 5.290 . 5.290 4.772 4.543 5.209 . 0 0 "[ . 1 . 2]" 2
942 1 122 PHE HD1 1 128 TRP HE1 4.460 . 4.460 4.488 4.437 4.516 0.056 11 0 "[ . 1 . 2]" 2
943 1 100 THR HB 1 128 TRP HE1 4.970 . 4.970 3.131 2.952 3.391 . 0 0 "[ . 1 . 2]" 2
944 1 96 ILE HB 1 128 TRP HE1 3.780 3.600 3.780 3.132 3.118 3.155 0.482 16 0 "[ . 1 . 2]" 2
945 1 96 ILE MG 1 128 TRP HE1 3.660 . 3.660 1.575 1.555 1.594 0.245 1 0 "[ . 1 . 2]" 2
946 1 93 LEU H 1 130 ILE H 5.160 3.600 5.160 4.286 4.139 4.524 . 0 0 "[ . 1 . 2]" 2
947 1 129 TYR HB3 1 130 ILE H 5.250 . 5.250 4.007 3.820 4.062 . 0 0 "[ . 1 . 2]" 2
948 1 91 VAL HB 1 130 ILE H 3.980 . 3.980 3.793 3.586 3.965 . 0 0 "[ . 1 . 2]" 2
949 1 130 ILE H 1 130 ILE HG12 4.690 . 4.690 4.259 4.139 4.385 . 0 0 "[ . 1 . 2]" 2
950 1 129 TYR HD1 1 130 ILE H 4.610 . 4.610 4.333 4.244 4.406 . 0 0 "[ . 1 . 2]" 2
951 1 92 ILE H 1 162 LYS H 5.000 3.600 5.000 3.892 3.578 4.117 0.022 14 0 "[ . 1 . 2]" 2
952 1 92 ILE HB 1 162 LYS H 4.160 . 4.160 4.276 4.217 4.320 0.160 9 0 "[ . 1 . 2]" 2
953 1 162 LYS H 1 162 LYS HB2 3.860 . 3.860 2.583 2.399 2.744 . 0 0 "[ . 1 . 2]" 2
954 1 91 VAL HA 1 92 ILE H 3.440 . 3.440 2.286 2.156 2.339 . 0 0 "[ . 1 . 2]" 2
955 1 92 ILE H 1 92 ILE QG 4.840 . 4.840 3.348 2.969 3.506 . 0 0 "[ . 1 . 2]" 2
956 1 92 ILE H 1 92 ILE HB 3.980 . 3.980 2.426 2.241 2.531 . 0 0 "[ . 1 . 2]" 2
957 1 91 VAL HB 1 92 ILE H 5.500 . 5.500 4.003 3.851 4.342 . 0 0 "[ . 1 . 2]" 2
958 1 93 LEU H 1 94 ARG H 4.960 . 4.960 4.302 4.276 4.329 . 0 0 "[ . 1 . 2]" 2
959 1 93 LEU H 1 127 ASN HA 5.350 3.600 5.350 4.117 3.959 4.302 . 0 0 "[ . 1 . 2]" 2
960 1 93 LEU H 1 129 TYR HD1 4.990 . 4.990 4.398 4.282 4.536 . 0 0 "[ . 1 . 2]" 2
961 1 93 LEU H 1 128 TRP HB2 4.540 . 4.540 2.734 2.656 2.849 . 0 0 "[ . 1 . 2]" 2
962 1 93 LEU H 1 93 LEU HB2 3.550 . 3.550 2.630 2.545 2.728 . 0 0 "[ . 1 . 2]" 2
963 1 102 ILE H 1 104 GLU H 4.850 . 4.850 4.393 4.181 4.506 . 0 0 "[ . 1 . 2]" 2
964 1 102 ILE H 1 102 ILE HG12 4.930 . 4.930 4.596 4.523 4.635 . 0 0 "[ . 1 . 2]" 2
965 1 102 ILE H 1 103 GLU H 3.830 . 3.830 2.791 2.600 2.867 . 0 0 "[ . 1 . 2]" 2
966 1 101 PRO HB3 1 102 ILE H 3.970 . 3.970 3.780 3.184 3.889 . 0 0 "[ . 1 . 2]" 2
967 1 102 ILE H 1 102 ILE HB 3.210 . 3.210 2.338 2.300 2.389 . 0 0 "[ . 1 . 2]" 2
968 1 101 PRO HB2 1 102 ILE H 3.670 . 3.670 3.354 3.157 3.492 . 0 0 "[ . 1 . 2]" 2
969 1 122 PHE H 1 123 ALA H 4.880 . 4.880 4.587 4.445 4.624 . 0 0 "[ . 1 . 2]" 2
970 1 122 PHE H 1 122 PHE HD1 4.460 . 4.460 3.279 3.001 3.391 . 0 0 "[ . 1 . 2]" 2
971 1 121 GLU HA 1 122 PHE H 3.080 . 3.080 2.302 2.213 2.319 . 0 0 "[ . 1 . 2]" 2
972 1 122 PHE H 1 122 PHE HB2 3.510 . 3.510 2.744 2.699 2.830 . 0 0 "[ . 1 . 2]" 2
973 1 122 PHE H 1 122 PHE HZ 5.250 . 5.250 5.146 4.917 5.263 0.013 18 0 "[ . 1 . 2]" 2
974 1 121 GLU HB2 1 122 PHE H 4.110 . 4.110 3.758 3.401 4.047 . 0 0 "[ . 1 . 2]" 2
975 1 117 VAL H 1 118 ILE H 5.260 . 5.260 4.582 4.532 4.638 . 0 0 "[ . 1 . 2]" 2
976 1 117 VAL MG1 1 118 ILE H 4.260 . 4.260 2.150 1.901 2.352 . 0 0 "[ . 1 . 2]" 2
977 1 153 GLN H 1 154 GLY H 5.020 . 5.020 2.486 2.386 2.609 . 0 0 "[ . 1 . 2]" 2
978 1 152 PHE HD1 1 153 GLN H 5.090 . 5.090 3.953 3.613 4.173 . 0 0 "[ . 1 . 2]" 2
979 1 152 PHE HA 1 153 GLN H 3.440 . 3.440 2.162 2.135 2.225 . 0 0 "[ . 1 . 2]" 2
980 1 152 PHE HB3 1 153 GLN H 4.950 . 4.950 4.382 4.210 4.598 . 0 0 "[ . 1 . 2]" 2
981 1 152 PHE HB2 1 153 GLN H 5.210 . 5.210 4.404 4.319 4.493 . 0 0 "[ . 1 . 2]" 2
982 1 153 GLN H 1 153 GLN HG2 4.880 . 4.880 4.054 2.736 4.938 0.058 13 0 "[ . 1 . 2]" 2
983 1 91 VAL H 1 91 VAL HB 4.180 . 4.180 2.436 2.354 2.564 . 0 0 "[ . 1 . 2]" 2
984 1 90 ILE MG 1 91 VAL H 4.680 . 4.680 2.427 2.171 2.763 . 0 0 "[ . 1 . 2]" 2
985 1 91 VAL H 1 130 ILE H 5.340 . 5.340 3.425 3.169 3.616 . 0 0 "[ . 1 . 2]" 2
986 1 91 VAL H 1 131 THR HA 5.000 . 5.000 3.524 3.321 3.778 . 0 0 "[ . 1 . 2]" 2
987 1 90 ILE HG13 1 91 VAL H 5.500 . 5.500 4.511 4.291 4.669 . 0 0 "[ . 1 . 2]" 2
988 1 158 MET H 1 159 ALA H 4.900 . 4.900 4.475 4.395 4.526 . 0 0 "[ . 1 . 2]" 2
989 1 158 MET HA 1 159 ALA H 3.160 . 3.160 2.247 2.157 2.306 . 0 0 "[ . 1 . 2]" 2
990 1 158 MET HB3 1 159 ALA H 4.770 . 4.770 3.509 2.952 4.197 . 0 0 "[ . 1 . 2]" 2
991 1 159 ALA H 1 159 ALA MB 3.520 . 3.520 2.625 2.481 2.700 . 0 0 "[ . 1 . 2]" 2
992 1 121 GLU H 1 129 TYR H 4.300 . 4.300 4.067 3.784 4.273 . 0 0 "[ . 1 . 2]" 2
993 1 120 CYS HA 1 121 GLU H 3.020 . 3.020 2.179 2.152 2.205 . 0 0 "[ . 1 . 2]" 2
994 1 121 GLU H 1 129 TYR HB2 4.530 . 4.530 4.349 4.133 4.521 . 0 0 "[ . 1 . 2]" 2
995 1 121 GLU H 1 121 GLU HG3 4.430 . 4.430 3.146 2.625 3.593 . 0 0 "[ . 1 . 2]" 2
996 1 121 GLU H 1 121 GLU HB2 4.040 . 4.040 2.857 2.629 3.168 . 0 0 "[ . 1 . 2]" 2
997 1 136 THR H 1 137 ASP H 4.280 . 4.280 2.773 2.679 2.841 . 0 0 "[ . 1 . 2]" 2
998 1 134 SER H 1 137 ASP H 4.790 . 4.790 4.155 3.986 4.393 . 0 0 "[ . 1 . 2]" 2
999 1 136 THR HB 1 137 ASP H 3.710 . 3.710 2.806 2.646 2.957 . 0 0 "[ . 1 . 2]" 2
1000 1 132 PHE HB3 1 137 ASP H 5.390 . 5.390 5.191 4.389 5.396 0.006 13 0 "[ . 1 . 2]" 2
1001 1 137 ASP H 1 137 ASP HB3 3.650 . 3.650 3.396 3.289 3.498 . 0 0 "[ . 1 . 2]" 2
1002 1 137 ASP H 1 137 ASP HB2 3.950 . 3.950 2.147 2.121 2.201 . 0 0 "[ . 1 . 2]" 2
1003 1 137 ASP H 1 139 GLN HB2 5.030 . 5.030 4.968 4.697 5.075 0.045 1 0 "[ . 1 . 2]" 2
1004 1 136 THR MG 1 137 ASP H 4.280 . 4.280 3.719 3.183 3.922 . 0 0 "[ . 1 . 2]" 2
1005 1 89 CYS HB2 1 90 ILE H 5.500 . 5.500 4.332 3.757 4.460 . 0 0 "[ . 1 . 2]" 2
1006 1 116 LYS HA 1 117 VAL H 2.750 . 2.750 2.269 2.196 2.297 . 0 0 "[ . 1 . 2]" 2
1007 1 109 PHE HB3 1 117 VAL H 5.360 3.600 5.360 4.495 4.115 4.967 . 0 0 "[ . 1 . 2]" 2
1008 1 117 VAL H 1 117 VAL HB 3.000 . 3.000 2.539 2.393 2.795 . 0 0 "[ . 1 . 2]" 2
1009 1 98 GLU HA 1 100 THR H 4.140 . 4.140 3.506 3.212 3.737 . 0 0 "[ . 1 . 2]" 2
1010 1 152 PHE H 1 157 ILE H 4.650 . 4.650 4.696 4.616 4.758 0.108 16 0 "[ . 1 . 2]" 2
1011 1 157 ILE H 1 157 ILE HB 3.060 . 3.060 2.890 2.776 2.950 . 0 0 "[ . 1 . 2]" 2
1012 1 157 ILE H 1 157 ILE HG12 3.790 . 3.790 3.323 3.228 3.475 . 0 0 "[ . 1 . 2]" 2
1013 1 157 ILE H 1 157 ILE MD 4.190 . 4.190 3.792 3.747 3.823 . 0 0 "[ . 1 . 2]" 2
1014 1 90 ILE HG13 1 132 PHE H 5.500 . 5.500 3.804 3.580 4.046 . 0 0 "[ . 1 . 2]" 2
1015 1 132 PHE H 1 132 PHE HD1 4.200 . 4.200 4.046 3.242 4.803 0.603 15 8 "[* .* 1 ** + - **]" 2
1016 1 90 ILE HA 1 132 PHE H 4.810 . 4.810 3.283 2.852 3.777 . 0 0 "[ . 1 . 2]" 2
1017 1 131 THR HA 1 132 PHE H 3.300 . 3.300 2.234 2.109 2.366 . 0 0 "[ . 1 . 2]" 2
1018 1 140 GLN H 1 141 ALA H 3.480 . 3.480 2.694 2.607 2.777 . 0 0 "[ . 1 . 2]" 2
1019 1 120 CYS H 1 121 GLU HG3 3.900 . 3.900 3.607 3.294 3.816 . 0 0 "[ . 1 . 2]" 2
1020 1 90 ILE H 1 90 ILE HG13 5.130 . 5.130 3.114 2.931 3.428 . 0 0 "[ . 1 . 2]" 2
1021 1 100 THR H 1 128 TRP HZ2 4.270 . 4.270 4.310 4.228 4.360 0.090 16 0 "[ . 1 . 2]" 2
1022 1 100 THR H 1 100 THR HB 3.130 . 3.130 2.704 2.594 2.803 . 0 0 "[ . 1 . 2]" 2
1023 1 160 ARG HD2 1 161 ILE H 5.500 . 5.500 4.173 2.844 5.508 0.008 14 0 "[ . 1 . 2]" 2
1024 1 142 PHE HE1 1 161 ILE H 5.030 . 5.030 4.921 4.351 5.122 0.092 6 0 "[ . 1 . 2]" 2
1025 1 160 ARG HA 1 161 ILE H 3.300 . 3.300 2.266 2.130 2.400 . 0 0 "[ . 1 . 2]" 2
1026 1 161 ILE H 1 161 ILE HG13 4.760 . 4.760 4.009 3.655 4.358 . 0 0 "[ . 1 . 2]" 2
1027 1 132 PHE HB3 1 138 ALA H 4.790 . 4.790 3.427 2.981 3.547 . 0 0 "[ . 1 . 2]" 2
1028 1 138 ALA H 1 138 ALA MB 3.070 . 3.070 2.134 2.071 2.204 . 0 0 "[ . 1 . 2]" 2
1029 1 138 ALA H 1 141 ALA MB 5.130 . 5.130 4.181 4.104 4.260 . 0 0 "[ . 1 . 2]" 2
1030 1 138 ALA H 1 141 ALA H 5.330 . 5.330 4.479 4.386 4.577 . 0 0 "[ . 1 . 2]" 2
1031 1 138 ALA H 1 139 GLN H 3.590 . 3.590 2.901 2.761 2.992 . 0 0 "[ . 1 . 2]" 2
1032 1 135 ASP HA 1 138 ALA H 4.220 . 4.220 3.176 3.062 3.268 . 0 0 "[ . 1 . 2]" 2
1033 1 136 THR HA 1 138 ALA H 4.900 . 4.900 4.883 4.683 4.933 0.033 2 0 "[ . 1 . 2]" 2
1034 1 138 ALA H 1 139 GLN HB2 4.670 . 4.670 4.647 4.549 4.687 0.017 19 0 "[ . 1 . 2]" 2
1035 1 128 TRP HE3 1 129 TYR H 5.260 . 5.260 3.794 3.734 3.879 . 0 0 "[ . 1 . 2]" 2
1036 1 119 SER H 1 131 THR H 4.460 . 4.460 3.320 2.917 3.833 . 0 0 "[ . 1 . 2]" 2
1037 1 131 THR H 1 131 THR MG 4.400 . 4.400 3.777 3.746 3.803 . 0 0 "[ . 1 . 2]" 2
1038 1 130 ILE MD 1 131 THR H 5.430 . 5.430 4.230 4.014 4.575 . 0 0 "[ . 1 . 2]" 2
1039 1 109 PHE H 1 110 LYS H 3.300 . 3.300 2.092 2.013 2.434 . 0 0 "[ . 1 . 2]" 2
1040 1 109 PHE HB2 1 110 LYS H 4.260 . 4.260 3.019 2.824 3.427 . 0 0 "[ . 1 . 2]" 2
1041 1 110 LYS H 1 110 LYS HB3 3.170 . 3.170 2.969 2.782 3.072 . 0 0 "[ . 1 . 2]" 2
1042 1 110 LYS H 1 117 VAL MG2 5.000 . 5.000 4.211 3.953 4.590 . 0 0 "[ . 1 . 2]" 2
1043 1 123 ALA H 1 129 TYR H . . 5.000 3.452 2.881 3.704 . 0 0 "[ . 1 . 2]" 2
1044 1 129 TYR H 1 129 TYR HD1 4.460 . 4.460 2.707 2.596 2.815 . 0 0 "[ . 1 . 2]" 2
1045 1 122 PHE HA 1 129 TYR H 4.690 . 4.690 3.405 3.138 3.808 . 0 0 "[ . 1 . 2]" 2
1046 1 123 ALA MB 1 129 TYR H 4.440 . 4.440 2.751 2.431 2.898 . 0 0 "[ . 1 . 2]" 2
1047 1 131 THR H 1 131 THR HB 3.490 . 3.490 2.504 2.470 2.571 . 0 0 "[ . 1 . 2]" 2
1048 1 95 GLU HB2 1 96 ILE H 4.860 . 4.860 4.295 4.021 4.477 . 0 0 "[ . 1 . 2]" 2
1049 1 96 ILE H 1 96 ILE HG12 4.830 . 4.830 2.627 2.351 2.866 . 0 0 "[ . 1 . 2]" 2
1050 1 144 TYR H 1 145 LEU H 3.990 . 3.990 2.340 2.284 2.378 . 0 0 "[ . 1 . 2]" 2
1051 1 144 TYR H 1 145 LEU MD1 4.720 . 4.720 3.453 3.366 3.576 . 0 0 "[ . 1 . 2]" 2
1052 1 92 ILE HA 1 128 TRP H . . 5.000 4.052 3.936 4.161 . 0 0 "[ . 1 . 2]" 2
1053 1 93 LEU HB2 1 128 TRP H 4.440 . 4.440 4.262 4.161 4.482 0.042 13 0 "[ . 1 . 2]" 2
1054 1 96 ILE H 1 96 ILE MG 4.730 . 4.730 3.696 3.678 3.721 . 0 0 "[ . 1 . 2]" 2
1055 1 143 LYS H 1 144 TYR H 3.640 . 3.640 2.673 2.560 2.780 . 0 0 "[ . 1 . 2]" 2
1056 1 144 TYR H 1 144 TYR HD1 4.110 . 4.110 3.972 3.479 4.141 0.031 16 0 "[ . 1 . 2]" 2
1057 1 144 TYR H 1 144 TYR HB2 3.430 . 3.430 2.165 2.129 2.189 . 0 0 "[ . 1 . 2]" 2
1058 1 143 LYS HB3 1 144 TYR H 3.460 . 3.460 2.980 2.876 3.181 . 0 0 "[ . 1 . 2]" 2
1059 1 152 PHE H 1 155 LYS H 3.470 . 3.470 1.945 1.789 2.078 0.011 15 0 "[ . 1 . 2]" 2
1060 1 155 LYS H 1 156 PRO HD3 4.860 . 4.860 3.858 3.773 4.145 . 0 0 "[ . 1 . 2]" 2
1061 1 151 THR MG 1 155 LYS H 4.350 . 4.350 3.025 2.017 3.472 . 0 0 "[ . 1 . 2]" 2
1062 1 107 GLY H 1 108 LEU H 3.640 . 3.640 2.575 2.509 2.660 . 0 0 "[ . 1 . 2]" 2
1063 1 108 LEU H 1 110 LYS H 4.390 . 4.390 4.009 3.625 4.157 . 0 0 "[ . 1 . 2]" 2
1064 1 104 GLU HA 1 108 LEU H 5.200 . 5.200 5.122 4.994 5.246 0.046 15 0 "[ . 1 . 2]" 2
1065 1 105 VAL HA 1 108 LEU H 4.190 . 4.190 3.130 2.996 3.218 . 0 0 "[ . 1 . 2]" 2
1066 1 108 LEU H 1 108 LEU HG 3.210 . 3.210 2.726 2.540 2.961 . 0 0 "[ . 1 . 2]" 2
1067 1 108 LEU H 1 108 LEU HB3 3.570 . 3.570 3.538 3.497 3.571 0.001 15 0 "[ . 1 . 2]" 2
1068 1 137 ASP HA 1 140 GLN H 4.050 . 4.050 3.760 3.653 3.872 . 0 0 "[ . 1 . 2]" 2
1069 1 136 THR HA 1 140 GLN H 4.060 . 4.060 3.903 3.816 4.010 . 0 0 "[ . 1 . 2]" 2
1070 1 140 GLN H 1 140 GLN HG2 4.540 . 4.540 3.381 2.761 3.909 . 0 0 "[ . 1 . 2]" 2
1071 1 139 GLN HB3 1 140 GLN H 3.010 . 3.010 2.991 2.911 3.056 0.046 20 0 "[ . 1 . 2]" 2
1072 1 152 PHE HA 1 155 LYS H 4.780 3.600 4.780 3.975 3.906 4.037 . 0 0 "[ . 1 . 2]" 2
1073 1 155 LYS H 1 155 LYS HB3 3.620 . 3.620 3.655 3.337 3.724 0.104 16 0 "[ . 1 . 2]" 2
1074 1 113 ASN H 1 114 CYS H 3.680 . 3.680 2.184 1.943 2.470 . 0 0 "[ . 1 . 2]" 2
1075 1 111 SER HB3 1 114 CYS H 4.070 . 4.070 3.814 2.943 4.082 0.012 19 0 "[ . 1 . 2]" 2
1076 1 113 ASN HB3 1 114 CYS H 3.840 . 3.840 3.671 3.202 3.863 0.023 15 0 "[ . 1 . 2]" 2
1077 1 94 ARG H 1 159 ALA HA 4.090 . 4.090 2.627 2.235 3.113 . 0 0 "[ . 1 . 2]" 2
1078 1 94 ARG H 1 94 ARG HG3 3.850 . 3.850 2.330 1.931 2.981 . 0 0 "[ . 1 . 2]" 2
1079 1 149 VAL H 1 150 LYS HB3 5.440 . 5.440 4.591 4.358 5.325 . 0 0 "[ . 1 . 2]" 2
1080 1 147 GLU H 1 149 VAL H 4.440 . 4.440 4.109 4.016 4.169 . 0 0 "[ . 1 . 2]" 2
1081 1 149 VAL H 1 150 LYS H 3.760 . 3.760 2.655 2.566 2.764 . 0 0 "[ . 1 . 2]" 2
1082 1 143 LYS H 1 143 LYS HD2 4.640 . 4.640 4.495 4.293 4.642 0.002 12 0 "[ . 1 . 2]" 2
1083 1 142 PHE H 1 143 LYS H 3.710 . 3.710 2.797 2.732 2.882 . 0 0 "[ . 1 . 2]" 2
1084 1 142 PHE HB3 1 143 LYS H 3.580 . 3.580 2.510 2.278 2.707 . 0 0 "[ . 1 . 2]" 2
1085 1 143 LYS H 1 143 LYS HB3 3.050 . 3.050 2.901 2.643 3.097 0.047 14 0 "[ . 1 . 2]" 2
1086 1 143 LYS H 1 143 LYS HG2 4.830 . 4.830 4.539 4.505 4.571 . 0 0 "[ . 1 . 2]" 2
1087 1 141 ALA MB 1 143 LYS H 5.130 . 5.130 4.444 4.329 4.532 . 0 0 "[ . 1 . 2]" 2
1088 1 103 GLU HA 1 105 VAL H 4.940 . 4.940 4.850 4.738 4.936 . 0 0 "[ . 1 . 2]" 2
1089 1 102 ILE HA 1 105 VAL H 3.920 . 3.920 3.587 3.512 3.679 . 0 0 "[ . 1 . 2]" 2
1090 1 104 GLU HB2 1 105 VAL H 3.730 . 3.730 2.821 2.257 3.695 . 0 0 "[ . 1 . 2]" 2
1091 1 96 ILE MG 1 105 VAL H 4.870 . 4.870 4.554 4.491 4.664 . 0 0 "[ . 1 . 2]" 2
1092 1 116 LYS H 1 117 VAL H 4.720 . 4.720 4.637 4.605 4.646 . 0 0 "[ . 1 . 2]" 2
1093 1 152 PHE H 1 152 PHE HD1 5.060 . 5.060 4.969 4.351 5.195 0.135 1 0 "[ . 1 . 2]" 2
1094 1 151 THR HA 1 152 PHE H 3.030 . 3.030 2.281 2.239 2.380 . 0 0 "[ . 1 . 2]" 2
1095 1 152 PHE H 1 156 PRO HA 4.570 . 4.570 3.926 3.833 4.056 . 0 0 "[ . 1 . 2]" 2
1096 1 152 PHE H 1 154 GLY HA3 4.730 . 4.730 4.966 4.924 5.021 0.291 7 0 "[ . 1 . 2]" 2
1097 1 152 PHE H 1 152 PHE HB3 3.960 . 3.960 2.890 2.639 3.059 . 0 0 "[ . 1 . 2]" 2
1098 1 152 PHE H 1 152 PHE HB2 3.810 . 3.810 3.386 3.147 3.632 . 0 0 "[ . 1 . 2]" 2
1099 1 152 PHE H 1 155 LYS HD2 5.250 . 5.250 5.230 5.029 5.434 0.184 10 0 "[ . 1 . 2]" 2
1100 1 152 PHE H 1 157 ILE HG13 4.180 . 4.180 3.676 3.569 3.746 . 0 0 "[ . 1 . 2]" 2
1101 1 151 THR MG 1 152 PHE H 3.680 . 3.680 2.687 2.013 3.047 . 0 0 "[ . 1 . 2]" 2
1102 1 142 PHE H 1 142 PHE HD1 4.630 . 4.630 4.214 4.073 4.471 . 0 0 "[ . 1 . 2]" 2
1103 1 103 GLU H 1 104 GLU H 3.490 . 3.490 2.572 2.496 2.693 . 0 0 "[ . 1 . 2]" 2
1104 1 104 GLU H 1 105 VAL H 3.190 . 3.190 2.824 2.628 2.926 . 0 0 "[ . 1 . 2]" 2
1105 1 101 PRO HG2 1 104 GLU H 3.320 . 3.320 2.621 2.393 3.507 0.187 1 0 "[ . 1 . 2]" 2
1106 1 100 THR MG 1 104 GLU H 4.240 . 4.240 3.909 3.681 4.022 . 0 0 "[ . 1 . 2]" 2
1107 1 152 PHE H 1 157 ILE MD 4.920 . 4.920 3.887 3.744 4.015 . 0 0 "[ . 1 . 2]" 2
1108 1 142 PHE H 1 142 PHE HB3 3.410 . 3.410 2.762 2.524 2.867 . 0 0 "[ . 1 . 2]" 2
1109 1 142 PHE H 1 142 PHE HB2 3.410 . 3.410 2.309 2.246 2.440 . 0 0 "[ . 1 . 2]" 2
1110 1 141 ALA MB 1 142 PHE H 3.650 . 3.650 2.495 2.189 2.598 . 0 0 "[ . 1 . 2]" 2
1111 1 110 LYS HA 1 111 SER H 2.930 . 2.930 2.165 2.142 2.226 . 0 0 "[ . 1 . 2]" 2
1112 1 110 LYS HD2 1 111 SER H 4.650 . 4.650 4.429 3.867 4.666 0.016 8 0 "[ . 1 . 2]" 2
1113 1 133 GLN H 1 137 ASP HB3 5.100 . 5.100 4.266 3.933 4.558 . 0 0 "[ . 1 . 2]" 2
1114 1 103 GLU H 1 105 VAL H 4.720 . 4.720 4.445 4.341 4.544 . 0 0 "[ . 1 . 2]" 2
1115 1 101 PRO HA 1 103 GLU H 4.430 . 4.430 3.733 3.646 3.883 . 0 0 "[ . 1 . 2]" 2
1116 1 110 LYS H 1 111 SER H 4.660 . 4.660 4.427 4.275 4.575 . 0 0 "[ . 1 . 2]" 2
1117 1 111 SER H 1 111 SER HB3 3.990 . 3.990 2.521 2.204 3.437 . 0 0 "[ . 1 . 2]" 2
1118 1 110 LYS HG2 1 111 SER H 4.990 . 4.990 2.965 2.529 3.444 . 0 0 "[ . 1 . 2]" 2
1119 1 103 GLU H 1 103 GLU HG2 3.640 . 3.640 2.908 2.242 3.671 0.031 4 0 "[ . 1 . 2]" 2
1120 1 102 ILE HG12 1 103 GLU H 5.480 . 5.480 4.359 4.230 4.455 . 0 0 "[ . 1 . 2]" 2
1121 1 92 ILE H 1 160 ARG H 4.280 . 4.280 3.188 2.817 3.670 . 0 0 "[ . 1 . 2]" 2
1122 1 159 ALA HA 1 160 ARG H 3.320 . 3.320 2.340 2.231 2.424 . 0 0 "[ . 1 . 2]" 2
1123 1 92 ILE HB 1 160 ARG H 4.350 . 4.350 3.047 2.836 3.387 . 0 0 "[ . 1 . 2]" 2
1124 1 159 ALA MB 1 160 ARG H 3.690 . 3.690 2.429 2.278 2.659 . 0 0 "[ . 1 . 2]" 2
1125 1 160 ARG H 1 161 ILE H 5.050 . 5.050 4.330 4.058 4.426 . 0 0 "[ . 1 . 2]" 2
1126 1 147 GLU H 1 148 GLU H 3.310 . 3.310 2.235 2.203 2.280 . 0 0 "[ . 1 . 2]" 2
1127 1 148 GLU H 1 150 LYS H 4.400 . 4.400 3.427 3.286 3.523 . 0 0 "[ . 1 . 2]" 2
1128 1 146 ARG H 1 148 GLU H 4.770 . 4.770 4.159 4.049 4.248 . 0 0 "[ . 1 . 2]" 2
1129 1 148 GLU H 1 149 VAL H 3.370 . 3.370 2.519 2.385 2.612 . 0 0 "[ . 1 . 2]" 2
1130 1 148 GLU H 1 149 VAL HA 5.160 . 5.160 5.112 4.984 5.203 0.043 16 0 "[ . 1 . 2]" 2
1131 1 147 GLU HB2 1 148 GLU H 3.250 . 3.250 2.927 2.772 3.067 . 0 0 "[ . 1 . 2]" 2
1132 1 148 GLU H 1 148 GLU HB2 3.620 . 3.620 2.614 2.554 2.698 . 0 0 "[ . 1 . 2]" 2
1133 1 148 GLU H 1 149 VAL MG1 4.360 . 4.360 3.804 3.520 4.138 . 0 0 "[ . 1 . 2]" 2
1134 1 105 VAL H 1 106 LYS H 3.430 . 3.430 2.612 2.526 2.666 . 0 0 "[ . 1 . 2]" 2
1135 1 104 GLU HA 1 106 LYS H 5.020 . 5.020 4.502 4.193 4.714 . 0 0 "[ . 1 . 2]" 2
1136 1 106 LYS H 1 106 LYS HG3 3.790 . 3.790 2.942 2.800 3.112 . 0 0 "[ . 1 . 2]" 2
1137 1 104 GLU H 1 106 LYS H 4.480 . 4.480 3.932 3.698 4.133 . 0 0 "[ . 1 . 2]" 2
1138 1 126 SER HB3 1 127 ASN H 5.110 . 5.110 4.299 4.085 4.630 . 0 0 "[ . 1 . 2]" 2
1139 1 111 SER HB3 1 113 ASN H 4.710 . 4.710 4.337 2.474 4.730 0.020 1 0 "[ . 1 . 2]" 2
1140 1 113 ASN H 1 113 ASN HB3 4.030 . 4.030 2.556 2.346 2.732 . 0 0 "[ . 1 . 2]" 2
1141 1 111 SER HB2 1 113 ASN H 4.170 . 4.170 3.446 2.730 4.082 . 0 0 "[ . 1 . 2]" 2
1142 1 135 ASP HA 1 139 GLN H 5.180 . 5.180 3.216 2.994 3.462 . 0 0 "[ . 1 . 2]" 2
1143 1 139 GLN H 1 139 GLN HB2 3.200 . 3.200 2.174 2.133 2.219 . 0 0 "[ . 1 . 2]" 2
1144 1 138 ALA MB 1 139 GLN H 3.560 . 3.560 2.143 1.915 2.334 . 0 0 "[ . 1 . 2]" 2
1145 1 139 GLN H 1 161 ILE MD 4.500 3.600 4.500 3.599 3.424 3.730 0.176 20 0 "[ . 1 . 2]" 2
1146 1 139 GLN H 1 141 ALA H 4.930 . 4.930 4.147 4.004 4.262 . 0 0 "[ . 1 . 2]" 2
1147 1 127 ASN H 1 128 TRP H 5.120 . 5.120 4.428 4.352 4.474 . 0 0 "[ . 1 . 2]" 2
1148 1 126 SER H 1 127 ASN H 4.100 . 4.100 2.356 1.951 2.915 . 0 0 "[ . 1 . 2]" 2
1149 1 127 ASN H 1 128 TRP HZ3 4.020 . 4.020 4.063 3.883 4.106 0.086 8 0 "[ . 1 . 2]" 2
1150 1 127 ASN H 1 127 ASN HB3 3.630 . 3.630 3.625 3.600 3.645 0.015 12 0 "[ . 1 . 2]" 2
1151 1 127 ASN H 1 127 ASN HB2 3.930 . 3.930 2.445 2.358 2.606 . 0 0 "[ . 1 . 2]" 2
1152 1 123 ALA MB 1 127 ASN H 4.630 . 4.630 4.238 3.898 4.350 . 0 0 "[ . 1 . 2]" 2
1153 1 145 LEU H 1 146 ARG H 3.220 . 3.220 2.738 2.651 2.834 . 0 0 "[ . 1 . 2]" 2
1154 1 142 PHE HD1 1 146 ARG H 5.320 . 5.320 5.321 5.091 5.420 0.100 5 0 "[ . 1 . 2]" 2
1155 1 146 ARG H 1 147 GLU HG3 5.010 . 5.010 4.963 4.732 5.045 0.035 7 0 "[ . 1 . 2]" 2
1156 1 145 LEU HB2 1 146 ARG H 3.510 . 3.510 2.714 2.526 3.006 . 0 0 "[ . 1 . 2]" 2
1157 1 146 ARG H 1 146 ARG HB2 3.130 . 3.130 2.507 2.280 2.674 . 0 0 "[ . 1 . 2]" 2
1158 1 146 ARG H 1 146 ARG HG2 3.630 . 3.630 2.303 1.843 2.722 . 0 0 "[ . 1 . 2]" 2
1159 1 145 LEU HB3 1 146 ARG H 4.090 . 4.090 3.186 2.913 3.521 . 0 0 "[ . 1 . 2]" 2
1160 1 145 LEU MD2 1 146 ARG H 5.470 . 5.470 4.602 4.393 4.841 . 0 0 "[ . 1 . 2]" 2
1161 1 150 LYS HB2 1 151 THR H 4.750 . 4.750 4.252 3.793 4.438 . 0 0 "[ . 1 . 2]" 2
1162 1 150 LYS HB3 1 151 THR H 4.490 . 4.490 3.526 2.798 4.060 . 0 0 "[ . 1 . 2]" 2
1163 1 108 LEU MD2 1 151 THR H 5.500 . 5.500 4.101 3.640 4.506 . 0 0 "[ . 1 . 2]" 2
1164 1 150 LYS HE2 1 151 THR H 5.500 . 5.500 4.851 4.454 5.540 0.040 3 0 "[ . 1 . 2]" 2
1165 1 146 ARG H 1 147 GLU H 3.790 . 3.790 2.804 2.785 2.829 . 0 0 "[ . 1 . 2]" 2
1166 1 147 GLU H 1 147 GLU HB2 3.220 . 3.220 2.287 2.263 2.351 . 0 0 "[ . 1 . 2]" 2
1167 1 146 ARG HB2 1 147 GLU H 3.710 . 3.710 3.022 2.882 3.199 . 0 0 "[ . 1 . 2]" 2
1168 1 146 ARG HG2 1 147 GLU H 4.950 . 4.950 4.546 4.244 4.799 . 0 0 "[ . 1 . 2]" 2
1169 1 108 LEU HB3 1 109 PHE H 4.360 . 4.360 3.870 3.358 3.978 . 0 0 "[ . 1 . 2]" 2
1170 1 109 PHE H 1 109 PHE HB2 3.540 . 3.540 2.456 2.239 2.727 . 0 0 "[ . 1 . 2]" 2
1171 1 95 GLU H 1 127 ASN HA 4.600 . 4.600 4.158 3.727 4.520 . 0 0 "[ . 1 . 2]" 2
1172 1 150 LYS H 1 150 LYS HB3 3.700 . 3.700 2.204 2.076 2.916 . 0 0 "[ . 1 . 2]" 2
1173 1 150 LYS H 1 151 THR H 5.010 . 5.010 2.811 2.728 2.849 . 0 0 "[ . 1 . 2]" 2
1174 1 149 VAL MG1 1 150 LYS H 4.460 . 4.460 3.823 3.701 3.942 . 0 0 "[ . 1 . 2]" 2
1175 1 94 ARG HB2 1 95 GLU H 4.280 . 4.280 3.336 2.864 3.803 . 0 0 "[ . 1 . 2]" 2
1176 1 119 SER H 1 130 ILE MG 5.170 . 5.170 3.580 3.371 3.684 . 0 0 "[ . 1 . 2]" 2
1177 1 118 ILE MG 1 119 SER H 4.830 . 4.830 3.541 3.008 3.747 . 0 0 "[ . 1 . 2]" 2
1178 1 118 ILE H 1 119 SER H 3.550 . 3.550 2.385 2.257 2.491 . 0 0 "[ . 1 . 2]" 2
1179 1 117 VAL HA 1 119 SER H 4.170 . 4.170 3.945 3.815 4.137 . 0 0 "[ . 1 . 2]" 2
1180 1 118 ILE HB 1 119 SER H 3.690 . 3.690 2.631 2.514 2.702 . 0 0 "[ . 1 . 2]" 2
1181 1 126 SER H 1 128 TRP HZ3 4.400 . 4.400 3.307 2.583 4.403 0.003 5 0 "[ . 1 . 2]" 2
1182 1 125 ASN HB2 1 126 SER H 4.160 . 4.160 4.054 3.925 4.254 0.094 6 0 "[ . 1 . 2]" 2
1183 1 133 GLN H 1 134 SER H 3.860 . 3.860 2.354 2.189 2.616 . 0 0 "[ . 1 . 2]" 2
1184 1 134 SER H 1 137 ASP HB3 3.690 . 3.690 3.686 3.595 3.729 0.039 14 0 "[ . 1 . 2]" 2
1185 1 132 PHE HB2 1 134 SER H 4.290 . 4.290 4.029 3.539 4.312 0.022 1 0 "[ . 1 . 2]" 2
1186 1 134 SER H 1 137 ASP HB2 4.080 . 4.080 3.009 2.661 3.488 . 0 0 "[ . 1 . 2]" 2
1187 1 133 GLN HB2 1 134 SER H 4.340 . 4.340 3.335 2.801 4.010 . 0 0 "[ . 1 . 2]" 2
1188 1 132 PHE HB3 1 134 SER H 4.140 . 4.140 2.431 2.075 2.806 . 0 0 "[ . 1 . 2]" 2
1189 1 106 LYS H 1 107 GLY H 3.520 . 3.520 2.998 2.847 3.137 . 0 0 "[ . 1 . 2]" 2
1190 1 105 VAL H 1 107 GLY H 4.660 . 4.660 4.590 4.424 4.726 0.066 12 0 "[ . 1 . 2]" 2
1191 1 107 GLY H 1 107 GLY HA2 2.900 . 2.900 2.864 2.843 2.889 . 0 0 "[ . 1 . 2]" 2
1192 1 106 LYS HB2 1 107 GLY H 3.740 . 3.740 2.874 2.831 2.960 . 0 0 "[ . 1 . 2]" 2
1193 1 99 THR H 1 100 THR H 3.870 . 3.870 2.504 2.254 2.789 . 0 0 "[ . 1 . 2]" 2
1194 1 98 GLU HA 1 99 THR H 3.580 . 3.580 3.417 3.386 3.512 . 0 0 "[ . 1 . 2]" 2
1195 1 99 THR H 1 99 THR MG 3.650 . 3.650 2.434 1.935 2.929 . 0 0 "[ . 1 . 2]" 2
1196 1 154 GLY H 1 155 LYS H 3.960 . 3.960 2.305 2.218 2.369 . 0 0 "[ . 1 . 2]" 2
1197 1 154 GLY H 1 155 LYS HB2 5.500 . 5.500 4.571 4.379 4.669 . 0 0 "[ . 1 . 2]" 2
1198 1 107 GLY HA3 1 110 LYS HB2 4.020 . 4.020 3.437 3.341 3.695 . 0 0 "[ . 1 . 2]" 2
1199 1 107 GLY HA3 1 110 LYS HG3 4.690 . 4.690 4.853 4.818 4.899 0.209 13 0 "[ . 1 . 2]" 2
1200 1 151 THR MG 1 154 GLY HA3 4.550 . 4.550 4.015 3.315 4.263 . 0 0 "[ . 1 . 2]" 2
1201 1 93 LEU HB2 1 105 VAL HB 4.720 . 4.720 4.561 4.495 4.647 . 0 0 "[ . 1 . 2]" 2
1202 1 93 LEU HB2 1 96 ILE MD 4.140 . 4.140 4.102 4.076 4.134 . 0 0 "[ . 1 . 2]" 2
1203 1 93 LEU HB3 1 94 ARG H 4.410 . 4.410 4.207 4.179 4.237 . 0 0 "[ . 1 . 2]" 2
1204 1 92 ILE MG 1 94 ARG HD3 4.840 . 4.840 3.033 2.246 3.610 . 0 0 "[ . 1 . 2]" 2
1205 1 94 ARG HD3 1 158 MET HB3 4.810 . 4.810 4.285 2.914 4.847 0.037 15 0 "[ . 1 . 2]" 2
1206 1 94 ARG QB 1 94 ARG HD3 3.550 . 3.550 2.832 2.189 3.300 . 0 0 "[ . 1 . 2]" 2
1207 1 160 ARG HA 1 160 ARG HD2 4.230 . 4.230 4.232 3.705 4.691 0.461 16 0 "[ . 1 . 2]" 2
1208 1 160 ARG HB3 1 160 ARG HD2 3.640 . 3.640 2.377 2.232 3.686 0.046 11 0 "[ . 1 . 2]" 2
1209 1 160 ARG HB2 1 160 ARG HD2 3.520 . 3.520 3.127 2.358 3.587 0.067 13 0 "[ . 1 . 2]" 2
1210 1 92 ILE MD 1 160 ARG HD2 4.480 . 4.480 3.462 2.550 4.213 . 0 0 "[ . 1 . 2]" 2
1211 1 94 ARG H 1 94 ARG HD3 4.820 . 4.820 4.021 2.241 4.551 . 0 0 "[ . 1 . 2]" 2
1212 1 146 ARG HA 1 146 ARG HD3 4.300 . 4.300 3.491 2.279 4.144 . 0 0 "[ . 1 . 2]" 2
1213 1 146 ARG H 1 146 ARG HD2 4.750 . 4.750 4.450 4.014 4.777 0.027 19 0 "[ . 1 . 2]" 2
1214 1 146 ARG HA 1 146 ARG HD2 4.270 . 4.270 2.998 2.306 4.237 . 0 0 "[ . 1 . 2]" 2
1215 1 132 PHE HB3 1 138 ALA HA 4.530 . 4.530 3.662 3.423 4.091 . 0 0 "[ . 1 . 2]" 2
1216 1 132 PHE HB3 1 133 GLN H 3.960 . 3.960 2.310 2.148 2.800 . 0 0 "[ . 1 . 2]" 2
1217 1 132 PHE H 1 132 PHE HB2 4.160 . 4.160 2.357 2.108 2.575 . 0 0 "[ . 1 . 2]" 2
1218 1 132 PHE HB2 1 133 GLN H 4.220 . 4.220 3.758 3.652 4.068 . 0 0 "[ . 1 . 2]" 2
1219 1 145 LEU H 1 145 LEU HB2 3.900 . 3.900 2.183 2.141 2.250 . 0 0 "[ . 1 . 2]" 2
1220 1 145 LEU H 1 145 LEU HB3 4.100 . 4.100 3.492 3.460 3.534 . 0 0 "[ . 1 . 2]" 2
1221 1 142 PHE HA 1 145 LEU HB3 4.700 . 4.700 3.893 3.826 3.939 . 0 0 "[ . 1 . 2]" 2
1222 1 155 LYS HE2 1 155 LYS HG2 3.630 . 3.630 3.050 2.308 3.634 0.004 1 0 "[ . 1 . 2]" 2
1223 1 107 GLY HA3 1 110 LYS HE2 4.270 . 4.270 4.022 3.742 4.277 0.007 12 0 "[ . 1 . 2]" 2
1224 1 110 LYS HE2 1 110 LYS HG3 3.870 . 3.870 2.419 2.285 3.129 . 0 0 "[ . 1 . 2]" 2
1225 1 92 ILE QG 1 162 LYS HE2 5.020 . 5.020 3.804 2.434 5.450 0.430 3 0 "[ . 1 . 2]" 2
1226 1 92 ILE MD 1 162 LYS HE2 4.480 . 4.480 2.665 2.032 4.122 . 0 0 "[ . 1 . 2]" 2
1227 1 162 LYS HE2 1 162 LYS QG 3.470 . 3.470 2.760 2.179 3.360 . 0 0 "[ . 1 . 2]" 2
1228 1 108 LEU HB2 1 109 PHE HD1 4.550 . 4.550 4.149 3.794 4.701 0.151 15 0 "[ . 1 . 2]" 2
1229 1 150 LYS HB3 1 150 LYS HE2 4.260 . 4.260 3.441 2.249 4.343 0.083 3 0 "[ . 1 . 2]" 2
1230 1 147 GLU HA 1 150 LYS HE2 4.180 . 4.180 3.694 2.865 4.040 . 0 0 "[ . 1 . 2]" 2
1231 1 106 LYS HA 1 106 LYS HE2 4.520 . 4.520 4.492 4.425 4.561 0.041 15 0 "[ . 1 . 2]" 2
1232 1 150 LYS HD3 1 150 LYS HE2 3.000 . 3.000 2.390 2.253 3.036 0.036 8 0 "[ . 1 . 2]" 2
1233 1 106 LYS HE2 1 106 LYS HG2 3.670 . 3.670 2.451 2.326 2.556 . 0 0 "[ . 1 . 2]" 2
1234 1 150 LYS HE2 1 150 LYS HG2 3.750 . 3.750 2.760 2.335 3.720 . 0 0 "[ . 1 . 2]" 2
1235 1 148 GLU HA 1 150 LYS HE2 4.160 . 4.160 4.130 3.958 4.318 0.158 8 0 "[ . 1 . 2]" 2
1236 1 150 LYS HE2 1 150 LYS HG3 3.770 . 3.770 3.682 3.348 3.854 0.084 17 0 "[ . 1 . 2]" 2
1237 1 147 GLU HG2 1 150 LYS HE2 5.040 . 5.040 4.987 4.632 5.072 0.032 7 0 "[ . 1 . 2]" 2
1238 1 147 GLU HB3 1 150 LYS HE2 4.470 . 4.470 4.266 3.965 4.475 0.005 12 0 "[ . 1 . 2]" 2
1239 1 90 ILE MG 1 162 LYS HE2 4.620 . 4.620 3.326 2.199 4.673 0.053 3 0 "[ . 1 . 2]" 2
1240 1 108 LEU H 1 108 LEU HB2 3.620 . 3.620 2.256 2.180 2.314 . 0 0 "[ . 1 . 2]" 2
1241 1 108 LEU HB2 1 109 PHE H 4.490 . 4.490 3.309 2.777 3.447 . 0 0 "[ . 1 . 2]" 2
1242 1 108 LEU HB3 1 109 PHE HD1 4.740 . 4.740 4.591 4.107 4.880 0.140 17 0 "[ . 1 . 2]" 2
1243 1 108 LEU HB3 1 108 LEU MD2 3.380 . 3.380 2.156 2.135 2.165 . 0 0 "[ . 1 . 2]" 2
1244 1 152 PHE HB3 1 157 ILE HG12 4.130 . 4.130 3.875 3.280 4.218 0.088 20 0 "[ . 1 . 2]" 2
1245 1 152 PHE HB3 1 157 ILE HG13 4.950 . 4.950 3.554 3.039 3.966 . 0 0 "[ . 1 . 2]" 2
1246 1 108 LEU MD1 1 152 PHE HB3 4.800 . 4.800 3.140 3.010 3.303 . 0 0 "[ . 1 . 2]" 2
1247 1 152 PHE HB2 1 152 PHE HD1 3.720 . 3.720 2.819 2.470 3.709 . 0 0 "[ . 1 . 2]" 2
1248 1 90 ILE HB 1 162 LYS HB3 4.330 . 4.330 2.416 2.266 2.737 . 0 0 "[ . 1 . 2]" 2
1249 1 127 ASN HB3 1 129 TYR HE1 4.600 . 4.600 2.405 2.285 2.586 . 0 0 "[ . 1 . 2]" 2
1250 1 92 ILE MG 1 127 ASN HB3 3.960 . 3.960 2.180 2.075 2.252 . 0 0 "[ . 1 . 2]" 2
1251 1 127 ASN HB3 1 129 TYR HD1 4.290 . 4.290 3.237 3.028 3.524 . 0 0 "[ . 1 . 2]" 2
1252 1 127 ASN HB3 1 128 TRP H 4.450 . 4.450 3.400 3.358 3.449 . 0 0 "[ . 1 . 2]" 2
1253 1 127 ASN HB2 1 128 TRP H 4.330 . 4.330 4.286 4.165 4.353 0.023 15 0 "[ . 1 . 2]" 2
1254 1 127 ASN HB2 1 129 TYR HD1 4.520 . 4.520 3.942 3.607 4.154 . 0 0 "[ . 1 . 2]" 2
1255 1 127 ASN HB2 1 129 TYR HE1 4.630 . 4.630 2.704 2.425 2.941 . 0 0 "[ . 1 . 2]" 2
1256 1 137 ASP HB3 1 138 ALA H 4.190 . 4.190 2.978 2.781 3.262 . 0 0 "[ . 1 . 2]" 2
1257 1 132 PHE HB3 1 137 ASP HB3 4.350 . 4.350 4.009 2.981 4.286 . 0 0 "[ . 1 . 2]" 2
1258 1 133 GLN H 1 137 ASP HB2 4.620 . 4.620 4.471 4.073 4.640 0.020 1 0 "[ . 1 . 2]" 2
1259 1 132 PHE HB3 1 137 ASP HB2 4.500 . 4.500 4.240 2.978 4.472 . 0 0 "[ . 1 . 2]" 2
1260 1 137 ASP HB2 1 138 ALA H 4.630 . 4.630 2.805 2.629 2.966 . 0 0 "[ . 1 . 2]" 2
1261 1 92 ILE HB 1 160 ARG HB3 4.640 . 4.640 3.069 2.276 4.750 0.110 11 0 "[ . 1 . 2]" 2
1262 1 135 ASP HB2 1 136 THR H 4.320 . 4.320 3.581 3.003 4.025 . 0 0 "[ . 1 . 2]" 2
1263 1 142 PHE HB3 1 161 ILE HG13 4.450 . 4.450 2.904 2.683 3.122 . 0 0 "[ . 1 . 2]" 2
1264 1 142 PHE HB2 1 143 LYS H 4.040 . 4.040 3.678 3.595 3.859 . 0 0 "[ . 1 . 2]" 2
1265 1 142 PHE HB2 1 161 ILE HG13 4.190 . 4.190 2.918 2.658 3.392 . 0 0 "[ . 1 . 2]" 2
1266 1 91 VAL MG1 1 142 PHE HB2 4.810 . 4.810 4.106 3.424 4.430 . 0 0 "[ . 1 . 2]" 2
1267 1 141 ALA MB 1 142 PHE HB2 4.590 . 4.590 4.072 3.875 4.135 . 0 0 "[ . 1 . 2]" 2
1268 1 142 PHE HB2 1 161 ILE HG12 4.540 . 4.540 3.034 2.756 3.314 . 0 0 "[ . 1 . 2]" 2
1269 1 135 ASP HB2 1 138 ALA MB 4.570 . 4.570 4.174 4.046 4.286 . 0 0 "[ . 1 . 2]" 2
1270 1 168 PHE HB3 1 168 PHE HD1 3.610 . 3.610 3.041 2.381 3.692 0.082 9 0 "[ . 1 . 2]" 2
1271 1 96 ILE H 1 96 ILE HB 3.960 . 3.960 2.315 2.270 2.369 . 0 0 "[ . 1 . 2]" 2
1272 1 96 ILE HB 1 128 TRP HD1 3.730 . 3.730 4.088 4.030 4.156 0.426 2 0 "[ . 1 . 2]" 2
1273 1 109 PHE HB3 1 109 PHE HD1 3.580 . 3.580 3.245 2.704 3.548 . 0 0 "[ . 1 . 2]" 2
1274 1 109 PHE H 1 109 PHE HB3 3.970 . 3.970 3.606 3.516 3.688 . 0 0 "[ . 1 . 2]" 2
1275 1 109 PHE HB3 1 109 PHE HE1 4.850 . 4.850 5.146 4.837 5.324 0.474 14 0 "[ . 1 . 2]" 2
1276 1 109 PHE HB3 1 117 VAL MG2 3.700 . 3.700 2.070 1.979 2.401 . 0 0 "[ . 1 . 2]" 2
1277 1 129 TYR H 1 129 TYR HB3 4.000 . 4.000 3.560 3.522 3.608 . 0 0 "[ . 1 . 2]" 2
1278 1 113 ASN HB3 1 144 TYR HE1 4.700 . 4.700 4.677 4.368 4.737 0.037 4 0 "[ . 1 . 2]" 2
1279 1 109 PHE HB2 1 109 PHE HD1 3.590 . 3.590 2.885 2.307 3.740 0.150 15 0 "[ . 1 . 2]" 2
1280 1 113 ASN HB2 1 144 TYR HD1 4.430 . 4.430 4.257 4.030 4.443 0.013 5 0 "[ . 1 . 2]" 2
1281 1 90 ILE MD 1 129 TYR HB3 4.190 . 4.190 2.641 2.274 2.741 . 0 0 "[ . 1 . 2]" 2
1282 1 113 ASN HB3 1 144 TYR HD1 4.570 . 4.570 4.019 3.806 4.334 . 0 0 "[ . 1 . 2]" 2
1283 1 113 ASN H 1 113 ASN HB2 4.060 . 4.060 3.046 2.841 3.275 . 0 0 "[ . 1 . 2]" 2
1284 1 122 PHE HB3 1 122 PHE HD1 3.720 . 3.720 2.915 2.819 2.967 . 0 0 "[ . 1 . 2]" 2
1285 1 102 ILE HB 1 122 PHE HZ 4.490 . 4.490 2.283 2.250 2.321 . 0 0 "[ . 1 . 2]" 2
1286 1 102 ILE HB 1 122 PHE HE1 4.280 . 4.280 3.120 2.953 3.340 . 0 0 "[ . 1 . 2]" 2
1287 1 102 ILE HB 1 103 GLU H 4.130 . 4.130 3.964 3.906 4.010 . 0 0 "[ . 1 . 2]" 2
1288 1 144 TYR HB3 1 145 LEU H 4.380 . 4.380 2.980 2.830 3.308 . 0 0 "[ . 1 . 2]" 2
1289 1 144 TYR H 1 144 TYR HB3 3.610 . 3.610 3.113 3.051 3.228 . 0 0 "[ . 1 . 2]" 2
1290 1 144 TYR HB3 1 144 TYR HD1 3.750 . 3.750 3.555 3.481 3.711 . 0 0 "[ . 1 . 2]" 2
1291 1 141 ALA HA 1 144 TYR HB3 3.820 . 3.820 3.876 3.825 3.915 0.095 13 0 "[ . 1 . 2]" 2
1292 1 144 TYR HB3 1 145 LEU MD1 4.600 . 4.600 2.652 2.539 2.832 . 0 0 "[ . 1 . 2]" 2
1293 1 144 TYR HB2 1 144 TYR HD1 3.600 . 3.600 2.348 2.310 2.497 . 0 0 "[ . 1 . 2]" 2
1294 1 141 ALA HA 1 144 TYR HB2 3.890 . 3.890 2.762 2.587 2.925 . 0 0 "[ . 1 . 2]" 2
1295 1 144 TYR HB2 1 145 LEU H 4.300 . 4.300 3.372 3.243 3.466 . 0 0 "[ . 1 . 2]" 2
1296 1 144 TYR HB2 1 145 LEU MD1 4.470 . 4.470 3.543 3.398 3.646 . 0 0 "[ . 1 . 2]" 2
1297 1 125 ASN HB3 1 126 SER H 4.660 . 4.660 4.495 4.056 4.663 0.003 11 0 "[ . 1 . 2]" 2
1298 1 104 GLU HG3 1 105 VAL H 5.120 . 5.120 4.759 4.580 4.931 . 0 0 "[ . 1 . 2]" 2
1299 1 104 GLU HA 1 104 GLU HG3 3.740 . 3.740 2.812 2.341 3.686 . 0 0 "[ . 1 . 2]" 2
1300 1 95 GLU HA 1 95 GLU HG3 3.970 . 3.970 2.954 2.424 3.666 . 0 0 "[ . 1 . 2]" 2
1301 1 95 GLU H 1 95 GLU HG3 4.490 . 4.490 3.450 2.660 4.445 . 0 0 "[ . 1 . 2]" 2
1302 1 94 ARG QB 1 95 GLU HG3 4.520 . 4.520 3.599 2.631 4.526 0.006 1 0 "[ . 1 . 2]" 2
1303 1 100 THR MG 1 104 GLU HG2 4.400 . 4.400 3.204 2.449 3.980 . 0 0 "[ . 1 . 2]" 2
1304 1 109 PHE HZ 1 130 ILE HB 4.860 . 4.860 3.619 2.641 4.783 . 0 0 "[ . 1 . 2]" 2
1305 1 128 TRP HB3 1 130 ILE HB 4.630 . 4.630 4.769 4.695 4.850 0.220 10 0 "[ . 1 . 2]" 2
1306 1 147 GLU HG3 1 148 GLU H 4.840 . 4.840 4.634 4.527 4.720 . 0 0 "[ . 1 . 2]" 2
1307 1 147 GLU H 1 147 GLU HG3 3.850 . 3.850 2.905 2.758 3.014 . 0 0 "[ . 1 . 2]" 2
1308 1 147 GLU HB3 1 147 GLU HG3 3.020 . 3.020 3.027 3.017 3.031 0.011 1 0 "[ . 1 . 2]" 2
1309 1 103 GLU H 1 103 GLU QG 3.890 . 3.890 2.295 1.995 2.772 . 0 0 "[ . 1 . 2]" 2
1310 1 102 ILE MG 1 103 GLU QG 4.200 . 4.200 2.644 2.172 4.102 . 0 0 "[ . 1 . 2]" 2
1311 1 148 GLU H 1 148 GLU HG3 4.500 . 4.500 3.579 3.430 3.763 . 0 0 "[ . 1 . 2]" 2
1312 1 104 GLU HA 1 104 GLU HG2 3.470 . 3.470 2.986 2.245 3.512 0.042 15 0 "[ . 1 . 2]" 2
1313 1 104 GLU H 1 104 GLU HG2 4.010 . 4.010 3.827 1.950 4.314 0.304 8 0 "[ . 1 . 2]" 2
1314 1 148 GLU HG3 1 149 VAL H 4.520 . 4.520 4.491 4.445 4.551 0.031 12 0 "[ . 1 . 2]" 2
1315 1 148 GLU HA 1 148 GLU HG3 4.190 . 4.190 3.785 3.757 3.814 . 0 0 "[ . 1 . 2]" 2
1316 1 101 PRO HD2 1 104 GLU HG2 5.090 . 5.090 3.010 2.389 4.817 . 0 0 "[ . 1 . 2]" 2
1317 1 95 GLU H 1 95 GLU HG2 4.440 . 4.440 3.581 2.567 4.382 . 0 0 "[ . 1 . 2]" 2
1318 1 147 GLU H 1 147 GLU HG2 4.050 . 4.050 3.985 3.639 4.095 0.045 6 0 "[ . 1 . 2]" 2
1319 1 118 ILE H 1 118 ILE HB 3.730 . 3.730 2.477 2.212 2.591 . 0 0 "[ . 1 . 2]" 2
1320 1 118 ILE HB 1 131 THR MG 3.830 . 3.830 3.098 2.855 3.401 . 0 0 "[ . 1 . 2]" 2
1321 1 148 GLU H 1 148 GLU HG2 4.320 . 4.320 2.136 1.873 2.386 . 0 0 "[ . 1 . 2]" 2
1322 1 148 GLU HG2 1 149 VAL MG1 5.000 . 5.000 4.716 4.552 4.762 . 0 0 "[ . 1 . 2]" 2
1323 1 148 GLU HG2 1 149 VAL H 4.450 . 4.450 3.899 3.686 4.005 . 0 0 "[ . 1 . 2]" 2
1324 1 91 VAL HB 1 130 ILE MG 4.560 . 4.560 2.583 2.243 3.219 . 0 0 "[ . 1 . 2]" 2
1325 1 162 LYS H 1 162 LYS HB3 4.190 . 4.190 2.621 2.450 2.790 . 0 0 "[ . 1 . 2]" 2
1326 1 92 ILE MD 1 162 LYS HB2 4.350 . 4.350 2.252 2.028 2.535 . 0 0 "[ . 1 . 2]" 2
1327 1 121 GLU H 1 121 GLU HB3 4.160 . 4.160 3.878 3.720 3.971 . 0 0 "[ . 1 . 2]" 2
1328 1 162 LYS HB3 1 163 ALA H 4.230 . 4.230 4.251 4.134 4.340 0.110 17 0 "[ . 1 . 2]" 2
1329 1 137 ASP HA 1 140 GLN HG3 4.780 . 4.780 4.249 3.882 4.694 . 0 0 "[ . 1 . 2]" 2
1330 1 140 GLN HA 1 140 GLN HG3 3.940 . 3.940 3.080 2.588 3.572 . 0 0 "[ . 1 . 2]" 2
1331 1 136 THR MG 1 140 GLN HG3 4.610 . 4.610 3.037 2.716 3.401 . 0 0 "[ . 1 . 2]" 2
1332 1 133 GLN H 1 133 GLN HG3 4.320 . 4.320 2.730 1.714 4.418 0.098 6 0 "[ . 1 . 2]" 2
1333 1 140 GLN H 1 140 GLN HG3 3.910 . 3.910 2.928 2.432 3.654 . 0 0 "[ . 1 . 2]" 2
1334 1 133 GLN HA 1 133 GLN HG3 4.080 . 4.080 3.376 3.156 3.567 . 0 0 "[ . 1 . 2]" 2
1335 1 118 ILE HG12 1 133 GLN HG3 4.950 . 4.950 3.070 2.280 4.717 . 0 0 "[ . 1 . 2]" 2
1336 1 118 ILE MG 1 133 GLN HG3 5.100 . 5.100 4.077 3.414 4.833 . 0 0 "[ . 1 . 2]" 2
1337 1 139 GLN HG2 1 161 ILE MG 4.440 . 4.440 2.642 2.495 2.857 . 0 0 "[ . 1 . 2]" 2
1338 1 133 GLN HB2 1 133 GLN HG2 2.600 . 2.600 2.521 2.400 2.605 0.005 15 0 "[ . 1 . 2]" 2
1339 1 139 GLN H 1 139 GLN HG3 3.770 . 3.770 2.966 2.658 3.755 . 0 0 "[ . 1 . 2]" 2
1340 1 139 GLN HA 1 139 GLN HG3 3.780 . 3.780 2.856 2.572 3.526 . 0 0 "[ . 1 . 2]" 2
1341 1 139 GLN HG3 1 161 ILE MD 4.150 . 4.150 3.117 2.761 4.022 . 0 0 "[ . 1 . 2]" 2
1342 1 139 GLN H 1 139 GLN HG2 3.810 . 3.810 3.679 2.898 3.877 0.067 5 0 "[ . 1 . 2]" 2
1343 1 140 GLN HA 1 140 GLN HG2 3.920 . 3.920 2.340 2.252 2.507 . 0 0 "[ . 1 . 2]" 2
1344 1 139 GLN HA 1 139 GLN HG2 3.770 . 3.770 2.285 2.245 2.377 . 0 0 "[ . 1 . 2]" 2
1345 1 139 GLN HG2 1 161 ILE MD 3.960 . 3.960 2.764 2.363 3.090 . 0 0 "[ . 1 . 2]" 2
1346 1 155 LYS HB3 1 156 PRO HD2 3.890 . 3.890 4.000 3.946 4.137 0.247 6 0 "[ . 1 . 2]" 2
1347 1 155 LYS H 1 155 LYS HB2 3.590 . 3.590 2.506 2.304 2.571 . 0 0 "[ . 1 . 2]" 2
1348 1 158 MET HB2 1 158 MET HG2 3.050 . 3.050 2.654 2.447 2.993 . 0 0 "[ . 1 . 2]" 2
1349 1 94 ARG QB 1 157 ILE MG 4.700 . 4.700 4.174 3.819 4.397 . 0 0 "[ . 1 . 2]" 2
1350 1 117 VAL HB 1 119 SER H 4.520 . 4.520 4.446 4.106 4.554 0.034 13 0 "[ . 1 . 2]" 2
1351 1 151 THR HB 1 152 PHE H 3.340 . 3.340 2.992 2.666 3.377 0.037 2 0 "[ . 1 . 2]" 2
1352 1 94 ARG H 1 158 MET HB3 4.690 . 4.690 4.510 4.284 4.716 0.026 8 0 "[ . 1 . 2]" 2
1353 1 94 ARG QB 1 158 MET HB3 4.460 . 4.460 3.176 2.638 3.688 . 0 0 "[ . 1 . 2]" 2
1354 1 143 LYS HB3 1 143 LYS HD2 3.550 . 3.550 2.897 2.532 3.189 . 0 0 "[ . 1 . 2]" 2
1355 1 140 GLN HA 1 143 LYS HB3 3.840 . 3.840 3.539 2.865 3.844 0.004 17 0 "[ . 1 . 2]" 2
1356 1 143 LYS HB2 1 144 TYR H 3.970 . 3.970 3.772 3.533 3.978 0.008 12 0 "[ . 1 . 2]" 2
1357 1 143 LYS H 1 143 LYS HB2 3.520 . 3.520 2.226 2.089 2.420 . 0 0 "[ . 1 . 2]" 2
1358 1 140 GLN HA 1 143 LYS HB2 3.890 . 3.890 2.917 2.714 3.293 . 0 0 "[ . 1 . 2]" 2
1359 1 158 MET HB2 1 159 ALA H 4.200 . 4.200 4.212 3.888 4.277 0.077 10 0 "[ . 1 . 2]" 2
1360 1 101 PRO HB2 1 103 GLU QG 3.020 . 3.020 2.755 2.223 3.003 . 0 0 "[ . 1 . 2]" 2
1361 1 116 LYS H 1 116 LYS HB3 3.300 . 3.300 2.873 2.351 3.353 0.053 19 0 "[ . 1 . 2]" 2
1362 1 116 LYS HB3 1 117 VAL H 4.110 . 4.110 3.565 3.084 4.069 . 0 0 "[ . 1 . 2]" 2
1363 1 116 LYS H 1 116 LYS HB2 3.450 . 3.450 2.575 2.059 3.572 0.122 9 0 "[ . 1 . 2]" 2
1364 1 151 THR HB 1 155 LYS H 4.140 . 4.140 3.966 3.579 4.243 0.103 15 0 "[ . 1 . 2]" 2
1365 1 101 PRO HB3 1 103 GLU H 4.120 . 4.120 3.871 3.453 3.966 . 0 0 "[ . 1 . 2]" 2
1366 1 101 PRO HB3 1 104 GLU H 4.370 . 4.370 4.473 4.427 4.514 0.144 12 0 "[ . 1 . 2]" 2
1367 1 101 PRO HB3 1 103 GLU QG 4.600 . 4.600 4.038 3.606 4.375 . 0 0 "[ . 1 . 2]" 2
1368 1 101 PRO HB3 1 102 ILE MG 4.830 . 4.830 4.487 3.947 4.602 . 0 0 "[ . 1 . 2]" 2
1369 1 101 PRO HB2 1 104 GLU H 4.040 . 4.040 2.973 2.734 3.063 . 0 0 "[ . 1 . 2]" 2
1370 1 101 PRO HB2 1 103 GLU H 4.280 . 4.280 2.314 2.233 2.382 . 0 0 "[ . 1 . 2]" 2
1371 1 106 LYS H 1 106 LYS HB3 3.720 . 3.720 3.494 3.431 3.539 . 0 0 "[ . 1 . 2]" 2
1372 1 106 LYS HB3 1 107 GLY H 4.160 . 4.160 3.017 2.874 3.168 . 0 0 "[ . 1 . 2]" 2
1373 1 106 LYS HB3 1 106 LYS QD 3.310 . 3.310 2.397 2.315 2.476 . 0 0 "[ . 1 . 2]" 2
1374 1 106 LYS H 1 106 LYS HB2 3.620 . 3.620 2.189 2.117 2.247 . 0 0 "[ . 1 . 2]" 2
1375 1 153 GLN H 1 153 GLN HG3 4.720 . 4.720 4.182 3.301 4.735 0.015 16 0 "[ . 1 . 2]" 2
1376 1 158 MET H 1 158 MET HG3 4.520 . 4.520 4.456 3.858 4.578 0.058 20 0 "[ . 1 . 2]" 2
1377 1 158 MET HA 1 158 MET HG2 4.240 . 4.240 3.012 2.258 3.711 . 0 0 "[ . 1 . 2]" 2
1378 1 158 MET H 1 158 MET HG2 4.840 . 4.840 4.321 3.450 4.901 0.061 9 0 "[ . 1 . 2]" 2
1379 1 150 LYS HB3 1 150 LYS HD2 3.730 . 3.730 3.406 2.515 3.793 0.063 12 0 "[ . 1 . 2]" 2
1380 1 151 THR HA 1 156 PRO HB3 4.400 . 4.400 4.260 4.173 4.372 . 0 0 "[ . 1 . 2]" 2
1381 1 156 PRO HB3 1 157 ILE H 3.990 . 3.990 3.725 3.689 3.767 . 0 0 "[ . 1 . 2]" 2
1382 1 149 VAL HB 1 150 LYS H 4.160 . 4.160 4.077 4.012 4.126 . 0 0 "[ . 1 . 2]" 2
1383 1 149 VAL H 1 149 VAL HB 3.790 . 3.790 3.598 3.583 3.617 . 0 0 "[ . 1 . 2]" 2
1384 1 156 PRO HB2 1 157 ILE H 4.280 . 4.280 3.926 3.811 3.978 . 0 0 "[ . 1 . 2]" 2
1385 1 150 LYS HB2 1 150 LYS HE2 4.720 . 4.720 4.246 2.267 4.775 0.055 1 0 "[ . 1 . 2]" 2
1386 1 110 LYS H 1 110 LYS HB2 3.370 . 3.370 2.190 2.119 2.257 . 0 0 "[ . 1 . 2]" 2
1387 1 108 LEU HA 1 110 LYS HB2 5.120 . 5.120 4.963 4.688 5.073 . 0 0 "[ . 1 . 2]" 2
1388 1 107 GLY HA3 1 110 LYS HB3 4.600 . 4.600 4.666 4.516 4.746 0.146 9 0 "[ . 1 . 2]" 2
1389 1 93 LEU MD2 1 128 TRP HB3 5.000 . 5.000 4.550 4.473 4.608 . 0 0 "[ . 1 . 2]" 2
1390 1 128 TRP HB3 1 129 TYR H 4.330 . 4.330 3.569 3.464 3.665 . 0 0 "[ . 1 . 2]" 2
1391 1 128 TRP HB3 1 128 TRP HE3 3.930 . 3.930 3.998 3.948 4.057 0.127 13 0 "[ . 1 . 2]" 2
1392 1 93 LEU HB2 1 128 TRP HB3 4.160 . 4.160 4.411 4.346 4.482 0.322 17 0 "[ . 1 . 2]" 2
1393 1 128 TRP HB2 1 129 TYR H 4.460 . 4.460 4.362 4.312 4.397 . 0 0 "[ . 1 . 2]" 2
1394 1 93 LEU HB2 1 128 TRP HB2 3.950 . 3.950 3.061 2.965 3.278 . 0 0 "[ . 1 . 2]" 2
1395 1 147 GLU H 1 147 GLU HB3 3.520 . 3.520 3.560 3.541 3.594 0.074 4 0 "[ . 1 . 2]" 2
1396 1 147 GLU HB3 1 148 GLU H 3.710 . 3.710 3.645 3.496 3.721 0.011 3 0 "[ . 1 . 2]" 2
1397 1 146 ARG QB 1 147 GLU HG3 4.820 . 4.820 3.359 3.234 3.526 . 0 0 "[ . 1 . 2]" 2
1398 1 146 ARG QB 1 147 GLU H 3.810 . 3.810 2.918 2.812 3.018 . 0 0 "[ . 1 . 2]" 2
1399 1 146 ARG H 1 146 ARG QB 3.410 . 3.410 2.461 2.254 2.605 . 0 0 "[ . 1 . 2]" 2
1400 1 146 ARG QB 1 147 GLU HG2 4.850 . 4.850 4.562 4.115 4.702 . 0 0 "[ . 1 . 2]" 2
1401 1 148 GLU HB3 1 149 VAL H 3.710 . 3.710 3.476 3.416 3.569 . 0 0 "[ . 1 . 2]" 2
1402 1 148 GLU HB3 1 149 VAL MG1 4.660 . 4.660 4.078 3.949 4.301 . 0 0 "[ . 1 . 2]" 2
1403 1 148 GLU HB2 1 149 VAL H 3.700 . 3.700 2.204 2.179 2.225 . 0 0 "[ . 1 . 2]" 2
1404 1 100 THR HB 1 128 TRP HZ2 3.950 . 3.950 3.721 3.439 3.970 0.020 15 0 "[ . 1 . 2]" 2
1405 1 96 ILE MG 1 100 THR HB 3.830 . 3.830 2.133 2.030 2.280 . 0 0 "[ . 1 . 2]" 2
1406 1 100 THR HB 1 105 VAL MG1 3.970 . 3.970 3.108 2.959 3.337 . 0 0 "[ . 1 . 2]" 2
1407 1 102 ILE HG13 1 122 PHE HZ 4.700 . 4.700 3.950 3.724 4.214 . 0 0 "[ . 1 . 2]" 2
1408 1 102 ILE HG13 1 122 PHE HE1 4.160 . 4.160 2.957 2.791 3.331 . 0 0 "[ . 1 . 2]" 2
1409 1 102 ILE HG12 1 122 PHE HE1 4.530 . 4.530 4.495 4.367 4.596 0.066 7 0 "[ . 1 . 2]" 2
1410 1 102 ILE HG12 1 106 LYS QD 4.850 . 4.850 2.586 2.349 2.939 . 0 0 "[ . 1 . 2]" 2
1411 1 133 GLN H 1 133 GLN HB3 3.710 . 3.710 3.278 3.068 3.445 . 0 0 "[ . 1 . 2]" 2
1412 1 133 GLN HB3 1 134 SER H 4.470 . 4.470 3.868 2.960 4.445 . 0 0 "[ . 1 . 2]" 2
1413 1 104 GLU H 1 104 GLU HB3 3.930 . 3.930 3.295 2.454 3.588 . 0 0 "[ . 1 . 2]" 2
1414 1 133 GLN H 1 133 GLN HB2 3.800 . 3.800 2.943 2.122 3.569 . 0 0 "[ . 1 . 2]" 2
1415 1 118 ILE MD 1 133 GLN HB2 4.100 . 4.100 3.371 2.375 4.025 . 0 0 "[ . 1 . 2]" 2
1416 1 104 GLU H 1 104 GLU HB2 3.740 . 3.740 2.147 2.039 2.598 . 0 0 "[ . 1 . 2]" 2
1417 1 140 GLN HG2 1 143 LYS HD2 4.690 . 4.690 4.662 4.387 4.723 0.033 7 0 "[ . 1 . 2]" 2
1418 1 143 LYS HA 1 143 LYS HD2 4.120 . 4.120 4.206 4.140 4.264 0.144 11 0 "[ . 1 . 2]" 2
1419 1 143 LYS HB2 1 143 LYS HD2 3.310 . 3.310 2.299 2.259 2.462 . 0 0 "[ . 1 . 2]" 2
1420 1 140 GLN HA 1 143 LYS HD2 4.180 . 4.180 3.699 3.377 4.046 . 0 0 "[ . 1 . 2]" 2
1421 1 143 LYS HD2 1 143 LYS HG3 2.980 . 2.980 2.598 2.432 2.801 . 0 0 "[ . 1 . 2]" 2
1422 1 118 ILE HB 1 131 THR HB 4.040 . 4.040 3.544 2.998 4.024 . 0 0 "[ . 1 . 2]" 2
1423 1 118 ILE H 1 131 THR HB 5.070 . 5.070 4.878 4.466 5.123 0.053 12 0 "[ . 1 . 2]" 2
1424 1 130 ILE HA 1 131 THR HB 4.720 . 4.720 4.611 4.557 4.707 . 0 0 "[ . 1 . 2]" 2
1425 1 119 SER HB2 1 131 THR HB 4.720 . 4.720 3.739 3.622 4.109 . 0 0 "[ . 1 . 2]" 2
1426 1 104 GLU HB3 1 105 VAL H 3.890 . 3.890 2.679 2.145 3.461 . 0 0 "[ . 1 . 2]" 2
1427 1 101 PRO HD2 1 104 GLU HB2 4.810 . 4.810 2.360 2.270 3.311 . 0 0 "[ . 1 . 2]" 2
1428 1 110 LYS HA 1 110 LYS HD2 4.620 . 4.620 4.058 3.818 4.185 . 0 0 "[ . 1 . 2]" 2
1429 1 157 ILE H 1 157 ILE HG13 3.870 . 3.870 2.215 2.169 2.308 . 0 0 "[ . 1 . 2]" 2
1430 1 162 LYS HA 1 162 LYS HD2 4.650 . 4.650 4.434 4.213 4.666 0.016 2 0 "[ . 1 . 2]" 2
1431 1 162 LYS HB3 1 162 LYS HD2 3.700 . 3.700 2.531 2.248 3.792 0.092 16 0 "[ . 1 . 2]" 2
1432 1 90 ILE MG 1 162 LYS HD2 4.470 . 4.470 2.459 2.027 3.679 . 0 0 "[ . 1 . 2]" 2
1433 1 151 THR HA 1 157 ILE HG12 4.890 . 4.890 4.554 4.221 4.913 0.023 12 0 "[ . 1 . 2]" 2
1434 1 131 THR HB 1 132 PHE H 4.250 . 4.250 3.889 3.562 4.289 0.039 17 0 "[ . 1 . 2]" 2
1435 1 119 SER H 1 131 THR HB 3.810 . 3.810 3.227 2.784 3.442 . 0 0 "[ . 1 . 2]" 2
1436 1 155 LYS HA 1 155 LYS HD2 4.810 . 4.810 4.269 2.278 4.717 . 0 0 "[ . 1 . 2]" 2
1437 1 155 LYS HB3 1 155 LYS HD2 3.710 . 3.710 3.042 2.294 3.454 . 0 0 "[ . 1 . 2]" 2
1438 1 116 LYS HD2 1 117 VAL H 4.600 . 4.600 3.725 1.920 4.588 . 0 0 "[ . 1 . 2]" 2
1439 1 116 LYS HA 1 116 LYS HD2 4.240 . 4.240 3.483 2.276 4.367 0.127 1 0 "[ . 1 . 2]" 2
1440 1 116 LYS HD2 1 116 LYS HG3 2.790 . 2.790 2.497 2.248 2.999 0.209 11 0 "[ . 1 . 2]" 2
1441 1 103 GLU HB3 1 106 LYS QD 4.660 . 4.660 4.295 4.096 4.466 . 0 0 "[ . 1 . 2]" 2
1442 1 150 LYS HB3 1 150 LYS HD3 3.940 . 3.940 2.451 2.246 3.636 . 0 0 "[ . 1 . 2]" 2
1443 1 152 PHE HB2 1 157 ILE HG12 4.730 . 4.730 4.681 4.461 4.765 0.035 10 0 "[ . 1 . 2]" 2
1444 1 89 CYS HB3 1 135 ASP HA 4.060 . 4.060 2.301 2.265 2.736 . 0 0 "[ . 1 . 2]" 2
1445 1 114 CYS H 1 114 CYS HB2 3.710 . 3.710 3.193 2.474 3.845 0.135 15 0 "[ . 1 . 2]" 2
1446 1 111 SER H 1 114 CYS HB2 4.690 . 4.690 4.640 4.027 4.798 0.108 15 0 "[ . 1 . 2]" 2
1447 1 89 CYS HB2 1 135 ASP HA 4.220 . 4.220 2.915 2.287 3.928 . 0 0 "[ . 1 . 2]" 2
1448 1 106 LYS HG2 1 120 CYS HB2 4.730 . 4.730 4.711 4.465 4.770 0.040 1 0 "[ . 1 . 2]" 2
1449 1 103 GLU H 1 103 GLU HB2 3.430 . 3.430 2.714 2.456 3.485 0.055 7 0 "[ . 1 . 2]" 2
1450 1 103 GLU HB2 1 104 GLU H 4.210 . 4.210 2.913 2.475 4.203 . 0 0 "[ . 1 . 2]" 2
1451 1 106 LYS HG2 1 120 CYS HB3 4.830 . 4.830 4.306 4.049 4.523 . 0 0 "[ . 1 . 2]" 2
1452 1 117 VAL MG1 1 120 CYS HB3 4.190 . 4.190 2.234 2.128 2.339 . 0 0 "[ . 1 . 2]" 2
1453 1 120 CYS HB2 1 121 GLU H 4.770 . 4.770 3.449 3.068 3.821 . 0 0 "[ . 1 . 2]" 2
1454 1 120 CYS HB2 1 130 ILE HA 4.250 . 4.250 4.266 4.195 4.314 0.064 9 0 "[ . 1 . 2]" 2
1455 1 120 CYS HB2 1 130 ILE MD 4.370 . 4.370 2.655 2.429 3.313 . 0 0 "[ . 1 . 2]" 2
1456 1 103 GLU HB3 1 104 GLU H 4.440 . 4.440 3.705 3.603 3.843 . 0 0 "[ . 1 . 2]" 2
1457 1 140 GLN HB3 1 141 ALA H 4.000 . 4.000 3.299 3.065 3.479 . 0 0 "[ . 1 . 2]" 2
1458 1 140 GLN HB2 1 141 ALA H 3.930 . 3.930 2.632 2.489 2.750 . 0 0 "[ . 1 . 2]" 2
1459 1 140 GLN H 1 140 GLN HB2 3.580 . 3.580 2.277 2.194 2.341 . 0 0 "[ . 1 . 2]" 2
1460 1 137 ASP HA 1 140 GLN HB3 4.120 . 4.120 4.047 3.870 4.167 0.047 20 0 "[ . 1 . 2]" 2
1461 1 139 GLN HB2 1 141 ALA H 4.940 . 4.940 4.994 4.933 5.036 0.096 18 0 "[ . 1 . 2]" 2
1462 1 139 GLN HB2 1 161 ILE MD 4.480 . 4.480 4.340 4.291 4.383 . 0 0 "[ . 1 . 2]" 2
1463 1 155 LYS HA 1 156 PRO HG2 4.380 . 4.380 4.438 4.424 4.451 0.071 15 0 "[ . 1 . 2]" 2
1464 1 161 ILE HG12 1 162 LYS H 4.700 . 4.700 4.324 4.186 4.426 . 0 0 "[ . 1 . 2]" 2
1465 1 94 ARG HG2 1 95 GLU H 4.660 . 4.660 4.277 3.796 4.639 . 0 0 "[ . 1 . 2]" 2
1466 1 94 ARG H 1 94 ARG HG2 4.180 . 4.180 3.418 2.676 4.217 0.037 7 0 "[ . 1 . 2]" 2
1467 1 94 ARG HA 1 94 ARG HG2 4.040 . 4.040 2.775 2.490 3.395 . 0 0 "[ . 1 . 2]" 2
1468 1 130 ILE H 1 130 ILE HG13 4.250 . 4.250 4.204 4.032 4.317 0.067 13 0 "[ . 1 . 2]" 2
1469 1 109 PHE HE1 1 130 ILE HG12 4.940 . 4.940 3.070 2.762 3.318 . 0 0 "[ . 1 . 2]" 2
1470 1 109 PHE HZ 1 130 ILE HG12 5.160 . 5.160 3.245 3.029 3.615 . 0 0 "[ . 1 . 2]" 2
1471 1 92 ILE QG 1 129 TYR HE1 4.680 . 4.680 2.295 2.233 2.478 . 0 0 "[ . 1 . 2]" 2
1472 1 92 ILE QG 1 129 TYR HA 4.810 . 4.810 2.819 2.550 3.046 . 0 0 "[ . 1 . 2]" 2
1473 1 93 LEU H 1 93 LEU HG 4.470 . 4.470 4.578 4.546 4.597 0.127 2 0 "[ . 1 . 2]" 2
1474 1 109 PHE HZ 1 130 ILE HG13 4.570 . 4.570 4.466 4.161 4.731 0.161 9 0 "[ . 1 . 2]" 2
1475 1 109 PHE HE1 1 130 ILE HG13 4.900 . 4.900 4.567 4.083 4.969 0.069 7 0 "[ . 1 . 2]" 2
1476 1 145 LEU HB2 1 146 ARG HG2 4.810 . 4.810 4.000 3.614 4.341 . 0 0 "[ . 1 . 2]" 2
1477 1 118 ILE H 1 118 ILE HG13 4.020 . 4.020 3.658 3.487 4.029 0.009 14 0 "[ . 1 . 2]" 2
1478 1 118 ILE HA 1 118 ILE HG13 4.060 . 4.060 3.509 2.277 3.780 . 0 0 "[ . 1 . 2]" 2
1479 1 118 ILE HG12 1 133 GLN H 4.880 . 4.880 2.805 2.264 3.074 . 0 0 "[ . 1 . 2]" 2
1480 1 118 ILE H 1 118 ILE HG12 4.080 . 4.080 2.412 2.071 4.020 . 0 0 "[ . 1 . 2]" 2
1481 1 106 LYS HG3 1 120 CYS HB3 4.720 . 4.720 4.590 4.209 4.764 0.044 1 0 "[ . 1 . 2]" 2
1482 1 105 VAL MG2 1 106 LYS HG2 5.070 . 5.070 4.215 4.009 4.471 . 0 0 "[ . 1 . 2]" 2
1483 1 146 ARG HA 1 146 ARG HG2 3.610 . 3.610 2.459 2.275 2.862 . 0 0 "[ . 1 . 2]" 2
1484 1 95 GLU QB 1 96 ILE H 4.480 . 4.480 3.849 3.664 4.063 . 0 0 "[ . 1 . 2]" 2
1485 1 145 LEU HG 1 149 VAL H 4.440 . 4.440 3.722 3.513 3.883 . 0 0 "[ . 1 . 2]" 2
1486 1 145 LEU H 1 145 LEU HG 4.300 . 4.300 3.871 3.751 3.958 . 0 0 "[ . 1 . 2]" 2
1487 1 96 ILE H 1 96 ILE HG13 4.520 . 4.520 3.694 3.535 3.858 . 0 0 "[ . 1 . 2]" 2
1488 1 106 LYS H 1 106 LYS HG2 4.370 . 4.370 4.047 3.915 4.174 . 0 0 "[ . 1 . 2]" 2
1489 1 148 GLU HB2 1 149 VAL HA 4.220 . 4.220 4.089 4.018 4.145 . 0 0 "[ . 1 . 2]" 2
1490 1 105 VAL HA 1 106 LYS HA 5.030 . 5.030 4.934 4.850 4.982 . 0 0 "[ . 1 . 2]" 2
1491 1 105 VAL HA 1 108 LEU MD1 3.630 . 3.630 2.150 2.018 2.261 . 0 0 "[ . 1 . 2]" 2
1492 1 105 VAL HA 1 105 VAL MG1 3.250 . 3.250 2.494 2.260 2.546 . 0 0 "[ . 1 . 2]" 2
1493 1 105 VAL HA 1 107 GLY H 4.670 . 4.670 4.242 4.077 4.432 . 0 0 "[ . 1 . 2]" 2
1494 1 145 LEU H 1 145 LEU MD1 4.200 . 4.200 2.119 1.972 2.239 . 0 0 "[ . 1 . 2]" 2
1495 1 142 PHE HD1 1 145 LEU MD1 3.850 . 3.850 3.696 3.640 3.762 . 0 0 "[ . 1 . 2]" 2
1496 1 145 LEU HA 1 145 LEU MD1 4.320 . 4.320 2.348 2.282 2.427 . 0 0 "[ . 1 . 2]" 2
1497 1 145 LEU HB2 1 145 LEU MD1 3.520 . 3.520 2.342 2.312 2.368 . 0 0 "[ . 1 . 2]" 2
1498 1 105 VAL HA 1 108 LEU HB2 4.650 . 4.650 2.255 2.225 2.277 . 0 0 "[ . 1 . 2]" 2
1499 1 105 VAL HA 1 108 LEU HG 4.280 . 4.280 3.805 3.523 3.975 . 0 0 "[ . 1 . 2]" 2
1500 1 93 LEU MD2 1 105 VAL HB 4.150 . 4.150 2.321 2.214 2.393 . 0 0 "[ . 1 . 2]" 2
1501 1 93 LEU MD2 1 109 PHE HE1 3.780 . 3.780 2.609 2.151 3.086 . 0 0 "[ . 1 . 2]" 2
1502 1 93 LEU MD2 1 109 PHE HZ 3.960 . 3.960 3.123 2.823 3.351 . 0 0 "[ . 1 . 2]" 2
1503 1 93 LEU MD2 1 105 VAL HA 4.490 . 4.490 3.158 2.989 3.389 . 0 0 "[ . 1 . 2]" 2
1504 1 93 LEU MD2 1 128 TRP HB2 4.480 . 4.480 3.677 3.589 3.820 . 0 0 "[ . 1 . 2]" 2
1505 1 93 LEU MD2 1 96 ILE HG12 4.350 . 4.350 3.707 3.641 3.743 . 0 0 "[ . 1 . 2]" 2
1506 1 93 LEU MD2 1 96 ILE MG 3.940 . 3.940 3.625 3.602 3.660 . 0 0 "[ . 1 . 2]" 2
1507 1 93 LEU MD2 1 105 VAL MG1 4.640 . 4.640 2.722 2.362 2.817 . 0 0 "[ . 1 . 2]" 2
1508 1 136 THR HA 1 140 GLN HG3 4.900 . 4.900 3.942 3.483 4.656 . 0 0 "[ . 1 . 2]" 2
1509 1 136 THR HA 1 136 THR HB 2.980 . 2.980 3.017 3.001 3.025 0.045 4 0 "[ . 1 . 2]" 2
1510 1 136 THR HA 1 136 THR MG 3.230 . 3.230 2.315 2.218 2.502 . 0 0 "[ . 1 . 2]" 2
1511 1 102 ILE HA 1 122 PHE HZ 4.000 . 4.000 4.035 3.919 4.095 0.095 9 0 "[ . 1 . 2]" 2
1512 1 102 ILE HA 1 122 PHE HE1 3.660 . 3.660 3.131 2.953 3.241 . 0 0 "[ . 1 . 2]" 2
1513 1 102 ILE HA 1 102 ILE HG13 3.610 . 3.610 2.258 2.235 2.275 . 0 0 "[ . 1 . 2]" 2
1514 1 102 ILE HA 1 102 ILE HG12 4.050 . 4.050 3.288 3.209 3.482 . 0 0 "[ . 1 . 2]" 2
1515 1 102 ILE HA 1 105 VAL MG1 3.760 . 3.760 3.459 3.398 3.691 . 0 0 "[ . 1 . 2]" 2
1516 1 102 ILE HA 1 106 LYS H 4.270 . 4.270 3.784 3.671 3.939 . 0 0 "[ . 1 . 2]" 2
1517 1 102 ILE HA 1 104 GLU H 4.390 . 4.390 4.217 3.928 4.420 0.030 1 0 "[ . 1 . 2]" 2
1518 1 118 ILE MG 1 119 SER HB3 4.230 . 4.230 2.925 2.278 3.346 . 0 0 "[ . 1 . 2]" 2
1519 1 150 LYS H 1 150 LYS HG3 4.680 . 4.680 4.283 3.148 4.494 . 0 0 "[ . 1 . 2]" 2
1520 1 150 LYS HA 1 150 LYS HG3 3.990 . 3.990 3.291 2.580 3.640 . 0 0 "[ . 1 . 2]" 2
1521 1 150 LYS H 1 150 LYS HG2 4.510 . 4.510 3.516 2.293 4.446 . 0 0 "[ . 1 . 2]" 2
1522 1 143 LYS HA 1 143 LYS HG3 3.820 . 3.820 2.284 2.237 2.384 . 0 0 "[ . 1 . 2]" 2
1523 1 110 LYS H 1 110 LYS HG3 4.290 . 4.290 4.171 4.003 4.312 0.022 13 0 "[ . 1 . 2]" 2
1524 1 110 LYS HD2 1 110 LYS HG3 2.900 . 2.900 3.021 3.014 3.024 0.124 10 0 "[ . 1 . 2]" 2
1525 1 116 LYS HG3 1 117 VAL H 4.660 . 4.660 3.359 1.849 4.546 . 0 0 "[ . 1 . 2]" 2
1526 1 110 LYS HA 1 110 LYS HG2 4.050 . 4.050 2.231 2.175 2.259 . 0 0 "[ . 1 . 2]" 2
1527 1 110 LYS H 1 110 LYS HG2 4.590 . 4.590 4.280 4.243 4.320 . 0 0 "[ . 1 . 2]" 2
1528 1 116 LYS H 1 116 LYS HG2 4.400 . 4.400 3.805 2.715 4.509 0.109 14 0 "[ . 1 . 2]" 2
1529 1 116 LYS HB2 1 116 LYS HG2 2.890 . 2.890 2.733 2.480 3.006 0.116 12 0 "[ . 1 . 2]" 2
1530 1 90 ILE HB 1 162 LYS QG 3.670 . 3.670 3.740 3.567 3.917 0.247 5 0 "[ . 1 . 2]" 2
1531 1 92 ILE MD 1 162 LYS QG 4.200 . 4.200 2.864 2.278 3.794 . 0 0 "[ . 1 . 2]" 2
1532 1 155 LYS H 1 155 LYS HG2 3.990 . 3.990 3.912 3.756 4.019 0.029 4 0 "[ . 1 . 2]" 2
1533 1 93 LEU MD1 1 94 ARG H 4.080 . 4.080 2.627 2.477 2.749 . 0 0 "[ . 1 . 2]" 2
1534 1 93 LEU MD1 1 159 ALA HA 3.980 . 3.980 3.414 3.066 3.674 . 0 0 "[ . 1 . 2]" 2
1535 1 93 LEU HA 1 93 LEU MD1 3.280 . 3.280 1.971 1.959 1.986 . 0 0 "[ . 1 . 2]" 2
1536 1 93 LEU MD1 1 96 ILE HG12 3.400 . 3.400 3.548 3.515 3.573 0.173 15 0 "[ . 1 . 2]" 2
1537 1 93 LEU MD1 1 96 ILE MD 3.930 . 3.930 2.916 2.883 2.958 . 0 0 "[ . 1 . 2]" 2
1538 1 105 VAL MG1 1 108 LEU MD1 4.540 . 4.540 3.027 2.534 3.185 . 0 0 "[ . 1 . 2]" 2
1539 1 108 LEU H 1 108 LEU MD1 3.940 . 3.940 3.237 3.134 3.451 . 0 0 "[ . 1 . 2]" 2
1540 1 108 LEU HB2 1 108 LEU MD1 3.430 . 3.430 2.169 2.157 2.196 . 0 0 "[ . 1 . 2]" 2
1541 1 93 LEU MD2 1 108 LEU MD1 3.420 . 3.420 2.246 2.164 2.321 . 0 0 "[ . 1 . 2]" 2
1542 1 108 LEU HB3 1 108 LEU MD1 3.160 . 3.160 2.619 2.586 2.651 . 0 0 "[ . 1 . 2]" 2
1543 1 108 LEU MD1 1 108 LEU MD2 2.840 . 2.840 1.996 1.921 2.038 . 0 0 "[ . 1 . 2]" 2
1544 1 111 SER HB2 1 114 CYS H 4.460 . 4.460 3.582 2.375 4.081 . 0 0 "[ . 1 . 2]" 2
1545 1 111 SER HB2 1 141 ALA H 5.080 . 5.080 5.139 5.099 5.185 0.105 16 0 "[ . 1 . 2]" 2
1546 1 111 SER H 1 111 SER HB2 4.120 . 4.120 3.560 2.357 3.808 . 0 0 "[ . 1 . 2]" 2
1547 1 111 SER HB2 1 114 CYS HB2 4.630 . 4.630 3.415 2.291 3.845 . 0 0 "[ . 1 . 2]" 2
1548 1 91 VAL MG2 1 142 PHE HD1 4.490 . 4.490 2.428 2.362 2.493 . 0 0 "[ . 1 . 2]" 2
1549 1 91 VAL HA 1 91 VAL MG2 3.480 . 3.480 2.291 2.181 2.371 . 0 0 "[ . 1 . 2]" 2
1550 1 91 VAL MG2 1 142 PHE HB2 3.920 . 3.920 2.944 2.206 3.229 . 0 0 "[ . 1 . 2]" 2
1551 1 90 ILE HA 1 131 THR HA 3.760 . 3.760 2.271 2.241 2.370 . 0 0 "[ . 1 . 2]" 2
1552 1 131 THR HA 1 131 THR MG 3.600 . 3.600 2.306 2.249 2.348 . 0 0 "[ . 1 . 2]" 2
1553 1 91 VAL MG2 1 142 PHE H 4.340 . 4.340 3.939 3.799 4.031 . 0 0 "[ . 1 . 2]" 2
1554 1 91 VAL MG2 1 142 PHE HE1 4.170 . 4.170 4.007 3.917 4.114 . 0 0 "[ . 1 . 2]" 2
1555 1 91 VAL MG1 1 91 VAL MG2 2.920 . 2.920 2.020 1.927 2.062 . 0 0 "[ . 1 . 2]" 2
1556 1 91 VAL MG2 1 161 ILE HG12 3.920 . 3.920 3.395 3.034 3.691 . 0 0 "[ . 1 . 2]" 2
1557 1 118 ILE MG 1 133 GLN HB3 4.600 . 4.600 4.097 3.414 4.703 0.103 15 0 "[ . 1 . 2]" 2
1558 1 90 ILE HG12 1 131 THR HA 4.590 . 4.590 2.249 2.222 2.325 . 0 0 "[ . 1 . 2]" 2
1559 1 156 PRO HA 1 157 ILE H 2.970 . 2.970 2.158 2.145 2.171 . 0 0 "[ . 1 . 2]" 2
1560 1 151 THR HA 1 156 PRO HA 3.350 . 3.350 2.215 2.171 2.241 . 0 0 "[ . 1 . 2]" 2
1561 1 156 PRO HA 1 157 ILE HG13 3.840 . 3.840 3.380 3.315 3.414 . 0 0 "[ . 1 . 2]" 2
1562 1 101 PRO HA 1 102 ILE H 2.830 . 2.830 2.198 2.165 2.292 . 0 0 "[ . 1 . 2]" 2
1563 1 101 PRO HA 1 102 ILE HA 4.790 . 4.790 4.359 4.337 4.373 . 0 0 "[ . 1 . 2]" 2
1564 1 150 LYS HA 1 150 LYS HG2 3.740 . 3.740 3.597 2.580 3.799 0.059 3 0 "[ . 1 . 2]" 2
1565 1 94 ARG H 1 159 ALA MB 4.660 . 4.660 3.411 3.026 3.815 . 0 0 "[ . 1 . 2]" 2
1566 1 93 LEU HA 1 159 ALA MB 3.950 . 3.950 2.536 2.316 2.834 . 0 0 "[ . 1 . 2]" 2
1567 1 158 MET HA 1 159 ALA MB 4.450 . 4.450 3.894 3.845 3.964 . 0 0 "[ . 1 . 2]" 2
1568 1 93 LEU MD1 1 159 ALA MB 3.160 . 3.160 2.107 2.065 2.160 . 0 0 "[ . 1 . 2]" 2
1569 1 108 LEU MD2 1 152 PHE HB3 3.940 . 3.940 3.513 3.444 3.567 . 0 0 "[ . 1 . 2]" 2
1570 1 108 LEU MD2 1 152 PHE HA 4.900 . 4.900 3.647 3.155 3.970 . 0 0 "[ . 1 . 2]" 2
1571 1 108 LEU MD2 1 152 PHE HB2 4.380 . 4.380 2.211 2.129 2.444 . 0 0 "[ . 1 . 2]" 2
1572 1 145 LEU H 1 145 LEU MD2 4.110 . 4.110 3.814 3.780 3.855 . 0 0 "[ . 1 . 2]" 2
1573 1 142 PHE HE1 1 145 LEU MD2 3.660 . 3.660 3.177 2.888 3.405 . 0 0 "[ . 1 . 2]" 2
1574 1 145 LEU MD1 1 145 LEU MD2 2.920 . 2.920 2.066 2.045 2.078 . 0 0 "[ . 1 . 2]" 2
1575 1 148 GLU HB2 1 149 VAL MG1 4.250 . 4.250 2.860 2.762 3.031 . 0 0 "[ . 1 . 2]" 2
1576 1 149 VAL H 1 149 VAL MG1 3.120 . 3.120 1.829 1.737 2.015 0.063 18 0 "[ . 1 . 2]" 2
1577 1 149 VAL HA 1 149 VAL MG1 3.150 . 3.150 2.431 2.400 2.478 . 0 0 "[ . 1 . 2]" 2
1578 1 145 LEU HA 1 149 VAL MG1 3.500 . 3.500 2.649 2.233 3.241 . 0 0 "[ . 1 . 2]" 2
1579 1 100 THR HA 1 101 PRO HD2 3.310 . 3.310 2.245 2.212 2.281 . 0 0 "[ . 1 . 2]" 2
1580 1 100 THR HA 1 101 PRO HG3 4.810 . 4.810 4.465 4.443 4.496 . 0 0 "[ . 1 . 2]" 2
1581 1 100 THR HA 1 101 PRO HG2 4.550 . 4.550 4.423 4.400 4.451 . 0 0 "[ . 1 . 2]" 2
1582 1 100 THR HA 1 100 THR MG 3.230 . 3.230 2.174 2.145 2.201 . 0 0 "[ . 1 . 2]" 2
1583 1 96 ILE H 1 126 SER HB3 3.880 . 3.880 3.535 2.996 3.937 0.057 3 0 "[ . 1 . 2]" 2
1584 1 95 GLU H 1 126 SER HB3 4.130 . 4.130 3.622 3.417 4.154 0.024 3 0 "[ . 1 . 2]" 2
1585 1 95 GLU QB 1 126 SER HB3 5.360 . 5.360 5.453 5.352 5.516 0.156 4 0 "[ . 1 . 2]" 2
1586 1 96 ILE H 1 126 SER HB2 3.710 . 3.710 3.792 3.744 3.837 0.127 11 0 "[ . 1 . 2]" 2
1587 1 95 GLU H 1 126 SER HB2 4.280 . 4.280 2.746 2.434 3.078 . 0 0 "[ . 1 . 2]" 2
1588 1 117 VAL H 1 117 VAL MG2 3.270 . 3.270 2.137 1.858 2.244 . 0 0 "[ . 1 . 2]" 2
1589 1 109 PHE H 1 117 VAL MG2 4.810 . 4.810 4.148 3.854 4.320 . 0 0 "[ . 1 . 2]" 2
1590 1 117 VAL HA 1 117 VAL MG2 3.330 . 3.330 2.237 2.199 2.351 . 0 0 "[ . 1 . 2]" 2
1591 1 109 PHE HB2 1 117 VAL MG2 3.600 . 3.600 2.194 1.974 2.479 . 0 0 "[ . 1 . 2]" 2
1592 1 109 PHE HA 1 117 VAL MG2 4.760 . 4.760 4.034 3.911 4.190 . 0 0 "[ . 1 . 2]" 2
1593 1 117 VAL MG1 1 131 THR H 4.370 . 4.370 3.297 3.099 3.570 . 0 0 "[ . 1 . 2]" 2
1594 1 117 VAL MG1 1 119 SER H 3.560 . 3.560 1.915 1.823 2.102 . 0 0 "[ . 1 . 2]" 2
1595 1 117 VAL HA 1 117 VAL MG1 3.500 . 3.500 2.383 2.200 2.435 . 0 0 "[ . 1 . 2]" 2
1596 1 117 VAL MG1 1 120 CYS HB2 4.070 . 4.070 3.662 3.555 3.757 . 0 0 "[ . 1 . 2]" 2
1597 1 117 VAL MG1 1 130 ILE MG 3.220 . 3.220 1.997 1.850 2.065 . 0 0 "[ . 1 . 2]" 2
1598 1 117 VAL HA 1 118 ILE H 3.130 . 3.130 2.179 2.138 2.253 . 0 0 "[ . 1 . 2]" 2
1599 1 116 LYS HA 1 117 VAL HA 4.540 . 4.540 4.316 4.305 4.332 . 0 0 "[ . 1 . 2]" 2
1600 1 117 VAL HA 1 132 PHE HD1 4.810 . 4.810 4.308 3.131 4.815 0.005 9 0 "[ . 1 . 2]" 2
1601 1 136 THR H 1 136 THR MG 4.580 . 4.580 3.722 3.660 3.757 . 0 0 "[ . 1 . 2]" 2
1602 1 136 THR MG 1 140 GLN HG2 4.670 . 4.670 4.072 3.527 4.398 . 0 0 "[ . 1 . 2]" 2
1603 1 99 THR MG 1 100 THR H 4.790 . 4.790 4.142 3.808 4.357 . 0 0 "[ . 1 . 2]" 2
1604 1 149 VAL MG2 1 150 LYS H 3.890 . 3.890 2.050 2.006 2.168 . 0 0 "[ . 1 . 2]" 2
1605 1 149 VAL H 1 149 VAL MG2 3.950 . 3.950 2.367 2.246 2.478 . 0 0 "[ . 1 . 2]" 2
1606 1 145 LEU HA 1 149 VAL MG2 4.080 . 4.080 3.672 3.588 3.761 . 0 0 "[ . 1 . 2]" 2
1607 1 90 ILE HA 1 91 VAL HA 4.710 . 4.710 4.392 4.386 4.399 . 0 0 "[ . 1 . 2]" 2
1608 1 91 VAL HA 1 162 LYS H 4.330 . 4.330 2.882 2.500 3.158 . 0 0 "[ . 1 . 2]" 2
1609 1 91 VAL HA 1 92 ILE HB 4.770 . 4.770 4.173 4.096 4.327 . 0 0 "[ . 1 . 2]" 2
1610 1 91 VAL HA 1 161 ILE HG12 4.500 . 4.500 3.922 3.635 4.240 . 0 0 "[ . 1 . 2]" 2
1611 1 131 THR MG 1 132 PHE H 3.760 . 3.760 2.172 1.786 2.679 0.014 16 0 "[ . 1 . 2]" 2
1612 1 119 SER H 1 131 THR MG 4.490 . 4.490 4.162 4.076 4.226 . 0 0 "[ . 1 . 2]" 2
1613 1 118 ILE MG 1 131 THR MG 3.960 . 3.960 3.340 2.659 3.576 . 0 0 "[ . 1 . 2]" 2
1614 1 90 ILE HG13 1 131 THR MG 4.300 . 4.300 2.603 2.535 2.675 . 0 0 "[ . 1 . 2]" 2
1615 1 91 VAL MG1 1 142 PHE HD1 4.210 . 4.210 2.338 2.005 2.708 . 0 0 "[ . 1 . 2]" 2
1616 1 91 VAL HA 1 91 VAL MG1 3.600 . 3.600 2.396 2.312 2.505 . 0 0 "[ . 1 . 2]" 2
1617 1 142 PHE HA 1 145 LEU H 4.330 . 4.330 2.947 2.826 3.056 . 0 0 "[ . 1 . 2]" 2
1618 1 142 PHE HA 1 142 PHE HD1 3.800 . 3.800 2.294 2.240 2.452 . 0 0 "[ . 1 . 2]" 2
1619 1 142 PHE HA 1 145 LEU HB2 4.450 . 4.450 2.262 2.243 2.306 . 0 0 "[ . 1 . 2]" 2
1620 1 91 VAL MG2 1 142 PHE HA 4.340 . 4.340 3.629 3.425 3.803 . 0 0 "[ . 1 . 2]" 2
1621 1 142 PHE HA 1 145 LEU MD1 3.740 . 3.740 2.322 2.227 2.400 . 0 0 "[ . 1 . 2]" 2
1622 1 142 PHE HA 1 145 LEU MD2 4.650 . 4.650 2.639 2.499 2.774 . 0 0 "[ . 1 . 2]" 2
1623 1 99 THR HA 1 99 THR HB 3.050 . 3.050 2.438 2.288 2.624 . 0 0 "[ . 1 . 2]" 2
1624 1 99 THR HA 1 99 THR MG 2.990 . 2.990 2.345 2.178 2.653 . 0 0 "[ . 1 . 2]" 2
1625 1 157 ILE HA 1 158 MET H 3.060 . 3.060 2.271 2.228 2.290 . 0 0 "[ . 1 . 2]" 2
1626 1 157 ILE HA 1 157 ILE HG13 3.550 . 3.550 3.350 3.240 3.400 . 0 0 "[ . 1 . 2]" 2
1627 1 157 ILE HA 1 157 ILE HG12 3.910 . 3.910 2.791 2.733 2.846 . 0 0 "[ . 1 . 2]" 2
1628 1 105 VAL MG2 1 106 LYS H 4.060 . 4.060 1.925 1.787 2.031 0.013 14 0 "[ . 1 . 2]" 2
1629 1 105 VAL H 1 105 VAL MG2 3.930 . 3.930 2.256 2.169 2.351 . 0 0 "[ . 1 . 2]" 2
1630 1 105 VAL MG2 1 106 LYS HB2 4.540 . 4.540 3.604 3.527 3.696 . 0 0 "[ . 1 . 2]" 2
1631 1 105 VAL MG1 1 105 VAL MG2 2.960 . 2.960 2.010 1.893 2.041 . 0 0 "[ . 1 . 2]" 2
1632 1 144 TYR HA 1 144 TYR HD1 3.750 . 3.750 3.604 3.148 3.774 0.024 8 0 "[ . 1 . 2]" 2
1633 1 164 ILE HA 1 164 ILE MD 4.470 . 4.470 3.559 2.267 4.098 . 0 0 "[ . 1 . 2]" 2
1634 1 100 THR MG 1 105 VAL HB 4.980 . 4.980 4.625 4.535 4.701 . 0 0 "[ . 1 . 2]" 2
1635 1 100 THR MG 1 105 VAL H 3.560 . 3.560 2.999 2.891 3.123 . 0 0 "[ . 1 . 2]" 2
1636 1 100 THR MG 1 101 PRO HD2 3.630 . 3.630 2.447 2.231 2.750 . 0 0 "[ . 1 . 2]" 2
1637 1 100 THR MG 1 105 VAL HA 4.660 . 4.660 4.175 4.106 4.238 . 0 0 "[ . 1 . 2]" 2
1638 1 100 THR MG 1 104 GLU HG3 4.580 . 4.580 3.362 2.237 3.885 . 0 0 "[ . 1 . 2]" 2
1639 1 100 THR MG 1 104 GLU HB3 3.650 . 3.650 2.238 2.072 2.952 . 0 0 "[ . 1 . 2]" 2
1640 1 100 THR MG 1 104 GLU HB2 3.530 . 3.530 2.395 2.037 3.093 . 0 0 "[ . 1 . 2]" 2
1641 1 151 THR HA 1 151 THR MG 3.160 . 3.160 2.136 2.119 2.175 . 0 0 "[ . 1 . 2]" 2
1642 1 151 THR MG 1 156 PRO HA 3.230 . 3.230 2.377 2.105 2.612 . 0 0 "[ . 1 . 2]" 2
1643 1 151 THR MG 1 156 PRO HD3 4.680 . 4.680 2.662 2.490 2.792 . 0 0 "[ . 1 . 2]" 2
1644 1 151 THR MG 1 156 PRO HB3 3.600 . 3.600 3.059 2.726 3.648 0.048 13 0 "[ . 1 . 2]" 2
1645 1 151 THR MG 1 156 PRO HG2 4.510 . 4.510 4.007 3.867 4.203 . 0 0 "[ . 1 . 2]" 2
1646 1 161 ILE HA 1 161 ILE HG13 4.120 . 4.120 3.534 3.519 3.552 . 0 0 "[ . 1 . 2]" 2
1647 1 161 ILE HA 1 161 ILE MD 4.630 . 4.630 2.286 2.200 2.404 . 0 0 "[ . 1 . 2]" 2
1648 1 161 ILE HA 1 161 ILE HG12 3.640 . 3.640 2.318 2.265 2.405 . 0 0 "[ . 1 . 2]" 2
1649 1 143 LYS HB3 1 144 TYR HA 4.910 . 4.910 4.134 4.011 4.308 . 0 0 "[ . 1 . 2]" 2
1650 1 106 LYS HA 1 106 LYS HG3 3.770 . 3.770 2.472 2.346 2.606 . 0 0 "[ . 1 . 2]" 2
1651 1 109 PHE HD1 1 130 ILE MG 4.930 . 4.930 3.932 3.414 4.382 . 0 0 "[ . 1 . 2]" 2
1652 1 117 VAL HA 1 130 ILE MG 4.330 . 4.330 3.640 3.486 3.712 . 0 0 "[ . 1 . 2]" 2
1653 1 120 CYS HB3 1 130 ILE MG 4.660 . 4.660 3.678 3.456 3.780 . 0 0 "[ . 1 . 2]" 2
1654 1 109 PHE HA 1 130 ILE MG 4.820 . 4.820 4.565 4.516 4.608 . 0 0 "[ . 1 . 2]" 2
1655 1 105 VAL MG1 1 106 LYS H 4.170 . 4.170 3.692 3.591 3.839 . 0 0 "[ . 1 . 2]" 2
1656 1 104 GLU H 1 105 VAL MG1 4.440 . 4.440 4.028 3.846 4.205 . 0 0 "[ . 1 . 2]" 2
1657 1 105 VAL H 1 105 VAL MG1 3.130 . 3.130 1.790 1.748 2.088 0.052 9 0 "[ . 1 . 2]" 2
1658 1 104 GLU HB2 1 105 VAL MG1 4.710 . 4.710 3.379 2.749 4.305 . 0 0 "[ . 1 . 2]" 2
1659 1 100 THR MG 1 105 VAL MG1 3.080 . 3.080 2.071 2.035 2.103 . 0 0 "[ . 1 . 2]" 2
1660 1 96 ILE MG 1 105 VAL MG1 3.410 . 3.410 1.964 1.931 2.065 . 0 0 "[ . 1 . 2]" 2
1661 1 96 ILE MD 1 105 VAL MG1 3.920 . 3.920 2.148 2.079 2.188 . 0 0 "[ . 1 . 2]" 2
1662 1 106 LYS HA 1 106 LYS HG2 3.810 . 3.810 2.371 2.274 2.484 . 0 0 "[ . 1 . 2]" 2
1663 1 105 VAL MG2 1 106 LYS HA 4.390 . 4.390 2.958 2.782 3.197 . 0 0 "[ . 1 . 2]" 2
1664 1 92 ILE HA 1 93 LEU H 3.150 . 3.150 2.135 2.122 2.161 . 0 0 "[ . 1 . 2]" 2
1665 1 92 ILE HA 1 129 TYR HD1 4.500 . 4.500 3.455 3.245 3.623 . 0 0 "[ . 1 . 2]" 2
1666 1 92 ILE HA 1 93 LEU HB2 4.580 . 4.580 4.431 4.383 4.488 . 0 0 "[ . 1 . 2]" 2
1667 1 92 ILE HA 1 92 ILE MD 4.350 . 4.350 3.702 3.681 3.755 . 0 0 "[ . 1 . 2]" 2
1668 1 143 LYS HA 1 145 LEU H 4.560 . 4.560 4.404 4.156 4.572 0.012 11 0 "[ . 1 . 2]" 2
1669 1 143 LYS HA 1 143 LYS HG2 4.050 . 4.050 2.842 2.650 3.060 . 0 0 "[ . 1 . 2]" 2
1670 1 141 ALA H 1 141 ALA MB 2.970 . 2.970 2.089 2.038 2.184 . 0 0 "[ . 1 . 2]" 2
1671 1 141 ALA MB 1 142 PHE HA 4.880 . 4.880 3.714 3.673 3.769 . 0 0 "[ . 1 . 2]" 2
1672 1 140 GLN H 1 141 ALA MB 4.430 . 4.430 4.218 4.167 4.266 . 0 0 "[ . 1 . 2]" 2
1673 1 151 THR HA 1 157 ILE H 3.510 . 3.510 3.027 2.816 3.160 . 0 0 "[ . 1 . 2]" 2
1674 1 151 THR HA 1 157 ILE HG13 3.560 . 3.560 3.112 2.871 3.348 . 0 0 "[ . 1 . 2]" 2
1675 1 151 THR HA 1 157 ILE MD 4.530 . 4.530 4.141 3.962 4.258 . 0 0 "[ . 1 . 2]" 2
1676 1 126 SER HA 1 128 TRP HE3 4.510 . 4.510 4.507 4.403 4.571 0.061 2 0 "[ . 1 . 2]" 2
1677 1 103 GLU HA 1 107 GLY H 4.470 . 4.470 4.511 4.432 4.613 0.143 15 0 "[ . 1 . 2]" 2
1678 1 143 LYS HA 1 146 ARG H 4.420 . 4.420 3.860 3.688 4.048 . 0 0 "[ . 1 . 2]" 2
1679 1 143 LYS HA 1 146 ARG QB 4.180 . 4.180 3.521 3.204 3.812 . 0 0 "[ . 1 . 2]" 2
1680 1 158 MET ME 1 159 ALA H 3.660 . 3.660 2.981 2.093 3.515 . 0 0 "[ . 1 . 2]" 2
1681 1 158 MET HA 1 158 MET ME 4.040 . 4.040 2.737 2.024 3.724 . 0 0 "[ . 1 . 2]" 2
1682 1 126 SER HA 1 128 TRP HZ3 3.940 . 3.940 3.381 3.164 3.565 . 0 0 "[ . 1 . 2]" 2
1683 1 103 GLU HA 1 106 LYS H 4.000 . 4.000 3.617 3.488 3.711 . 0 0 "[ . 1 . 2]" 2
1684 1 103 GLU HA 1 103 GLU QG 3.770 . 3.770 2.548 2.264 3.429 . 0 0 "[ . 1 . 2]" 2
1685 1 103 GLU HA 1 106 LYS HB3 3.910 . 3.910 3.623 3.579 3.704 . 0 0 "[ . 1 . 2]" 2
1686 1 103 GLU HA 1 106 LYS HB2 3.480 . 3.480 2.271 2.232 2.342 . 0 0 "[ . 1 . 2]" 2
1687 1 103 GLU HA 1 106 LYS QD 3.850 . 3.850 2.333 2.220 2.435 . 0 0 "[ . 1 . 2]" 2
1688 1 120 CYS HB3 1 130 ILE HA 3.880 . 3.880 3.978 3.854 4.021 0.141 1 0 "[ . 1 . 2]" 2
1689 1 117 VAL MG1 1 130 ILE HA 3.640 . 3.640 3.459 3.388 3.513 . 0 0 "[ . 1 . 2]" 2
1690 1 139 GLN HA 1 142 PHE H 3.750 . 3.750 3.443 3.236 3.754 0.004 6 0 "[ . 1 . 2]" 2
1691 1 139 GLN HA 1 142 PHE HB3 3.750 . 3.750 2.991 2.798 3.159 . 0 0 "[ . 1 . 2]" 2
1692 1 139 GLN HA 1 142 PHE HB2 3.800 . 3.800 2.954 2.598 3.677 . 0 0 "[ . 1 . 2]" 2
1693 1 138 ALA MB 1 139 GLN HA 4.150 . 4.150 3.654 3.599 3.716 . 0 0 "[ . 1 . 2]" 2
1694 1 139 GLN HA 1 161 ILE MG 4.710 . 4.710 3.628 3.505 3.919 . 0 0 "[ . 1 . 2]" 2
1695 1 139 GLN HA 1 161 ILE MD 3.260 . 3.260 2.239 2.207 2.341 . 0 0 "[ . 1 . 2]" 2
1696 1 123 ALA MB 1 129 TYR HD1 4.340 . 4.340 2.721 2.400 2.927 . 0 0 "[ . 1 . 2]" 2
1697 1 123 ALA MB 1 127 ASN HB2 4.270 . 4.270 3.409 3.045 3.714 . 0 0 "[ . 1 . 2]" 2
1698 1 130 ILE HA 1 131 THR H 3.390 . 3.390 2.159 2.121 2.212 . 0 0 "[ . 1 . 2]" 2
1699 1 130 ILE HA 1 130 ILE HG12 3.870 . 3.870 3.534 3.513 3.555 . 0 0 "[ . 1 . 2]" 2
1700 1 104 GLU HA 1 107 GLY H 4.580 . 4.580 4.240 3.981 4.434 . 0 0 "[ . 1 . 2]" 2
1701 1 122 PHE HA 1 128 TRP HZ3 4.830 . 4.830 3.700 3.367 3.987 . 0 0 "[ . 1 . 2]" 2
1702 1 123 ALA MB 1 129 TYR HE1 4.100 . 4.100 3.181 2.938 3.434 . 0 0 "[ . 1 . 2]" 2
1703 1 123 ALA MB 1 129 TYR HB3 4.810 . 4.810 3.916 3.657 4.043 . 0 0 "[ . 1 . 2]" 2
1704 1 123 ALA MB 1 127 ASN HB3 4.170 . 4.170 3.976 3.723 4.054 . 0 0 "[ . 1 . 2]" 2
1705 1 89 CYS HA 1 138 ALA MB 3.710 . 3.710 2.861 2.017 3.370 . 0 0 "[ . 1 . 2]" 2
1706 1 89 CYS HA 1 135 ASP HA 3.950 . 3.950 3.156 2.543 3.810 . 0 0 "[ . 1 . 2]" 2
1707 1 100 THR MG 1 104 GLU HA 4.950 . 4.950 4.407 4.168 4.580 . 0 0 "[ . 1 . 2]" 2
1708 1 135 ASP HA 1 138 ALA MB 3.510 . 3.510 2.435 2.250 2.623 . 0 0 "[ . 1 . 2]" 2
1709 1 89 CYS HB3 1 138 ALA MB 4.080 . 4.080 3.163 2.624 3.591 . 0 0 "[ . 1 . 2]" 2
1710 1 132 PHE HB2 1 138 ALA MB 3.750 . 3.750 2.159 2.096 2.211 . 0 0 "[ . 1 . 2]" 2
1711 1 89 CYS HB2 1 138 ALA MB 3.800 . 3.800 2.302 2.023 3.065 . 0 0 "[ . 1 . 2]" 2
1712 1 138 ALA MB 1 141 ALA MB 4.940 . 4.940 3.707 3.670 3.781 . 0 0 "[ . 1 . 2]" 2
1713 1 138 ALA MB 1 161 ILE MD 3.630 . 3.630 2.911 2.215 3.037 . 0 0 "[ . 1 . 2]" 2
1714 1 96 ILE HA 1 96 ILE HG12 4.030 . 4.030 2.752 2.697 2.833 . 0 0 "[ . 1 . 2]" 2
1715 1 96 ILE HA 1 96 ILE HG13 4.070 . 4.070 3.687 3.650 3.721 . 0 0 "[ . 1 . 2]" 2
1716 1 132 PHE HA 1 133 GLN HA 4.400 . 4.400 4.344 4.320 4.368 . 0 0 "[ . 1 . 2]" 2
1717 1 132 PHE HA 1 133 GLN H 3.530 . 3.530 2.581 2.367 2.620 . 0 0 "[ . 1 . 2]" 2
1718 1 118 ILE H 1 132 PHE HA 4.150 . 4.150 2.877 2.746 2.996 . 0 0 "[ . 1 . 2]" 2
1719 1 118 ILE HG13 1 132 PHE HA 4.090 . 4.090 3.384 3.018 4.305 0.215 15 0 "[ . 1 . 2]" 2
1720 1 118 ILE HG12 1 132 PHE HA 4.330 . 4.330 2.500 2.280 3.294 . 0 0 "[ . 1 . 2]" 2
1721 1 118 ILE MD 1 132 PHE HA 4.800 . 4.800 3.781 2.123 4.284 . 0 0 "[ . 1 . 2]" 2
1722 1 117 VAL HA 1 132 PHE HA 4.230 . 4.230 4.013 3.437 4.338 0.108 11 0 "[ . 1 . 2]" 2
1723 1 168 PHE HA 1 168 PHE HD1 3.700 . 3.700 3.125 2.292 3.634 . 0 0 "[ . 1 . 2]" 2
1724 1 118 ILE HG13 1 133 GLN HA 4.520 . 4.520 2.703 2.253 4.265 . 0 0 "[ . 1 . 2]" 2
1725 1 118 ILE HG12 1 133 GLN HA 4.180 . 4.180 3.769 2.544 4.292 0.112 5 0 "[ . 1 . 2]" 2
1726 1 132 PHE HB3 1 138 ALA MB 4.320 . 4.320 2.495 2.252 3.067 . 0 0 "[ . 1 . 2]" 2
1727 1 90 ILE MG 1 130 ILE H 4.110 . 4.110 2.780 2.227 3.339 . 0 0 "[ . 1 . 2]" 2
1728 1 90 ILE MG 1 131 THR HA 4.430 . 4.430 3.616 3.422 3.855 . 0 0 "[ . 1 . 2]" 2
1729 1 90 ILE MG 1 129 TYR HD1 4.520 . 4.520 3.893 3.744 3.975 . 0 0 "[ . 1 . 2]" 2
1730 1 120 CYS HA 1 131 THR H 4.330 . 4.330 3.314 3.099 3.522 . 0 0 "[ . 1 . 2]" 2
1731 1 120 CYS HA 1 130 ILE HA 3.490 . 3.490 2.242 2.207 2.292 . 0 0 "[ . 1 . 2]" 2
1732 1 117 VAL MG1 1 120 CYS HA 4.740 . 4.740 3.148 2.981 3.340 . 0 0 "[ . 1 . 2]" 2
1733 1 120 CYS HA 1 130 ILE MG 4.390 . 4.390 3.655 3.485 3.760 . 0 0 "[ . 1 . 2]" 2
1734 1 120 CYS HA 1 121 GLU HG3 4.770 . 4.770 3.917 3.357 4.454 . 0 0 "[ . 1 . 2]" 2
1735 1 132 PHE HA 1 132 PHE HD1 4.220 . 4.220 2.670 2.213 3.372 . 0 0 "[ . 1 . 2]" 2
1736 1 147 GLU HA 1 147 GLU HG3 3.640 . 3.640 2.784 2.624 3.113 . 0 0 "[ . 1 . 2]" 2
1737 1 147 GLU HA 1 147 GLU HG2 3.350 . 3.350 2.365 2.269 2.515 . 0 0 "[ . 1 . 2]" 2
1738 1 147 GLU HA 1 147 GLU HB3 3.000 . 3.000 2.592 2.537 2.619 . 0 0 "[ . 1 . 2]" 2
1739 1 145 LEU HA 1 150 LYS H 4.920 . 4.920 5.027 4.955 5.127 0.207 13 0 "[ . 1 . 2]" 2
1740 1 145 LEU HA 1 149 VAL H 3.700 . 3.700 2.775 2.623 2.975 . 0 0 "[ . 1 . 2]" 2
1741 1 92 ILE MG 1 94 ARG HD2 4.970 . 4.970 2.884 2.196 3.603 . 0 0 "[ . 1 . 2]" 2
1742 1 92 ILE MG 1 93 LEU H 3.570 . 3.570 2.931 2.752 3.013 . 0 0 "[ . 1 . 2]" 2
1743 1 92 ILE MG 1 129 TYR HD1 4.140 . 4.140 3.732 3.382 3.868 . 0 0 "[ . 1 . 2]" 2
1744 1 92 ILE MG 1 129 TYR HE1 3.930 . 3.930 3.209 2.774 3.404 . 0 0 "[ . 1 . 2]" 2
1745 1 92 ILE MG 1 94 ARG HA 4.470 . 4.470 3.747 3.596 3.875 . 0 0 "[ . 1 . 2]" 2
1746 1 92 ILE HA 1 92 ILE MG 3.540 . 3.540 2.618 2.453 2.695 . 0 0 "[ . 1 . 2]" 2
1747 1 92 ILE MG 1 127 ASN HB2 3.880 . 3.880 3.594 3.486 3.659 . 0 0 "[ . 1 . 2]" 2
1748 1 164 ILE HA 1 164 ILE MG 3.670 . 3.670 2.536 2.225 3.192 . 0 0 "[ . 1 . 2]" 2
1749 1 164 ILE HG12 1 164 ILE MG 3.510 . 3.510 2.237 1.931 2.498 . 0 0 "[ . 1 . 2]" 2
1750 1 157 ILE MG 1 158 MET H 3.800 . 3.800 1.923 1.858 2.063 . 0 0 "[ . 1 . 2]" 2
1751 1 157 ILE HA 1 157 ILE MG 3.430 . 3.430 2.199 2.158 2.253 . 0 0 "[ . 1 . 2]" 2
1752 1 93 LEU MD1 1 157 ILE MG 3.000 . 3.000 2.027 1.920 2.191 . 0 0 "[ . 1 . 2]" 2
1753 1 157 ILE MG 1 158 MET HA 4.340 . 4.340 4.128 4.010 4.167 . 0 0 "[ . 1 . 2]" 2
1754 1 90 ILE MG 1 129 TYR HB3 4.650 . 4.650 2.445 2.224 2.776 . 0 0 "[ . 1 . 2]" 2
1755 1 152 PHE HA 1 153 GLN HA 4.670 . 4.670 4.397 4.374 4.422 . 0 0 "[ . 1 . 2]" 2
1756 1 152 PHE HA 1 152 PHE HD1 3.530 . 3.530 2.929 2.325 3.811 0.281 15 0 "[ . 1 . 2]" 2
1757 1 148 GLU HA 1 148 GLU HG2 3.780 . 3.780 3.086 2.945 3.302 . 0 0 "[ . 1 . 2]" 2
1758 1 148 GLU HA 1 149 VAL HA 4.790 . 4.790 4.787 4.760 4.840 0.050 8 0 "[ . 1 . 2]" 2
1759 1 137 ASP HA 1 140 GLN HB2 3.880 . 3.880 2.609 2.434 2.799 . 0 0 "[ . 1 . 2]" 2
1760 1 136 THR MG 1 137 ASP HA 4.620 . 4.620 3.810 3.239 4.143 . 0 0 "[ . 1 . 2]" 2
1761 1 137 ASP HA 1 141 ALA MB 4.640 . 4.640 4.195 3.893 4.307 . 0 0 "[ . 1 . 2]" 2
1762 1 95 GLU HA 1 95 GLU HG2 3.610 . 3.610 2.554 2.281 3.776 0.166 3 0 "[ . 1 . 2]" 2
1763 1 95 GLU HA 1 126 SER HB3 3.800 . 3.800 3.541 3.422 3.786 . 0 0 "[ . 1 . 2]" 2
1764 1 102 ILE MG 1 103 GLU H 3.210 . 3.210 1.975 1.869 2.044 . 0 0 "[ . 1 . 2]" 2
1765 1 102 ILE H 1 102 ILE MG 3.320 . 3.320 2.436 2.197 2.532 . 0 0 "[ . 1 . 2]" 2
1766 1 102 ILE MG 1 122 PHE HZ 4.890 . 4.890 3.739 3.665 3.834 . 0 0 "[ . 1 . 2]" 2
1767 1 101 PRO HA 1 102 ILE MG 4.290 . 4.290 4.012 3.941 4.064 . 0 0 "[ . 1 . 2]" 2
1768 1 102 ILE MG 1 103 GLU HA 4.060 . 4.060 3.201 3.144 3.262 . 0 0 "[ . 1 . 2]" 2
1769 1 102 ILE HA 1 102 ILE MG 3.610 . 3.610 3.179 3.175 3.184 . 0 0 "[ . 1 . 2]" 2
1770 1 102 ILE MG 1 106 LYS QD 3.860 . 3.860 2.435 2.219 2.680 . 0 0 "[ . 1 . 2]" 2
1771 1 102 ILE MG 1 103 GLU HB2 4.210 . 4.210 3.969 3.885 4.035 . 0 0 "[ . 1 . 2]" 2
1772 1 101 PRO HB2 1 102 ILE MG 3.710 . 3.710 3.545 3.399 3.626 . 0 0 "[ . 1 . 2]" 2
1773 1 102 ILE HG12 1 102 ILE MG 3.390 . 3.390 2.014 1.909 2.057 . 0 0 "[ . 1 . 2]" 2
1774 1 92 ILE MG 1 93 LEU HA 4.260 . 4.260 3.592 3.513 3.698 . 0 0 "[ . 1 . 2]" 2
1775 1 161 ILE MG 1 162 LYS H 3.960 . 3.960 2.722 2.251 2.966 . 0 0 "[ . 1 . 2]" 2
1776 1 161 ILE MG 1 163 ALA H 4.420 . 4.420 3.618 3.114 3.698 . 0 0 "[ . 1 . 2]" 2
1777 1 161 ILE HA 1 161 ILE MG 3.720 . 3.720 2.694 2.650 2.737 . 0 0 "[ . 1 . 2]" 2
1778 1 161 ILE HG13 1 161 ILE MG 3.650 . 3.650 2.547 2.482 2.585 . 0 0 "[ . 1 . 2]" 2
1779 1 161 ILE MD 1 161 ILE MG 3.100 . 3.100 1.792 1.770 1.810 0.030 6 0 "[ . 1 . 2]" 2
1780 1 96 ILE MG 1 128 TRP HZ2 4.630 . 4.630 2.294 2.231 2.435 . 0 0 "[ . 1 . 2]" 2
1781 1 96 ILE MG 1 128 TRP HD1 4.170 . 4.170 2.895 2.785 2.969 . 0 0 "[ . 1 . 2]" 2
1782 1 96 ILE HA 1 96 ILE MG 3.610 . 3.610 2.388 2.305 2.441 . 0 0 "[ . 1 . 2]" 2
1783 1 96 ILE MG 1 100 THR MG 3.420 . 3.420 2.349 2.132 2.629 . 0 0 "[ . 1 . 2]" 2
1784 1 108 LEU HA 1 108 LEU HG 4.000 . 4.000 2.324 2.282 2.421 . 0 0 "[ . 1 . 2]" 2
1785 1 123 ALA H 1 128 TRP HA 3.440 . 3.440 2.665 2.245 2.844 . 0 0 "[ . 1 . 2]" 2
1786 1 123 ALA MB 1 128 TRP HA 3.840 . 3.840 3.465 3.190 3.554 . 0 0 "[ . 1 . 2]" 2
1787 1 128 TRP HA 1 129 TYR H 3.410 . 3.410 2.128 2.111 2.148 . 0 0 "[ . 1 . 2]" 2
1788 1 116 LYS HA 1 116 LYS HG3 4.170 . 4.170 2.936 2.272 3.508 . 0 0 "[ . 1 . 2]" 2
1789 1 108 LEU HA 1 110 LYS H 4.510 . 4.510 4.054 3.657 4.192 . 0 0 "[ . 1 . 2]" 2
1790 1 153 GLN HA 1 153 GLN HG2 4.030 . 4.030 2.615 2.282 3.537 . 0 0 "[ . 1 . 2]" 2
1791 1 153 GLN HA 1 153 GLN HG3 3.650 . 3.650 2.848 2.285 3.654 0.004 11 0 "[ . 1 . 2]" 2
1792 1 110 LYS HA 1 110 LYS HG3 3.960 . 3.960 3.018 2.844 3.245 . 0 0 "[ . 1 . 2]" 2
1793 1 92 ILE MD 1 162 LYS HA 4.600 . 4.600 3.503 2.968 4.099 . 0 0 "[ . 1 . 2]" 2
1794 1 141 ALA HA 1 143 LYS H 4.640 . 4.640 4.321 4.055 4.716 0.076 6 0 "[ . 1 . 2]" 2
1795 1 141 ALA HA 1 144 TYR H 4.140 . 4.140 3.417 3.215 3.667 . 0 0 "[ . 1 . 2]" 2
1796 1 141 ALA HA 1 144 TYR HD1 4.140 . 4.140 3.956 3.676 4.169 0.029 15 0 "[ . 1 . 2]" 2
1797 1 141 ALA HA 1 145 LEU H 4.830 . 4.830 4.636 4.458 4.870 0.040 13 0 "[ . 1 . 2]" 2
1798 1 138 ALA HA 1 141 ALA H 4.170 . 4.170 3.573 3.489 3.759 . 0 0 "[ . 1 . 2]" 2
1799 1 138 ALA HA 1 141 ALA MB 3.400 . 3.400 2.289 2.240 2.400 . 0 0 "[ . 1 . 2]" 2
1800 1 132 PHE HD1 1 138 ALA HA 4.630 . 4.630 4.360 3.232 4.801 0.171 20 0 "[ . 1 . 2]" 2
1801 1 94 ARG HA 1 94 ARG HD3 4.910 . 4.910 4.741 4.140 5.000 0.090 1 0 "[ . 1 . 2]" 2
1802 1 94 ARG HA 1 128 TRP H 4.330 . 4.330 3.684 3.584 3.819 . 0 0 "[ . 1 . 2]" 2
1803 1 94 ARG HA 1 95 GLU H 3.320 . 3.320 2.372 2.246 2.509 . 0 0 "[ . 1 . 2]" 2
1804 1 94 ARG HA 1 95 GLU QB 4.430 . 4.430 4.469 4.306 4.742 0.312 3 0 "[ . 1 . 2]" 2
1805 1 94 ARG HA 1 127 ASN HB2 4.770 . 4.770 4.847 4.785 4.891 0.121 1 0 "[ . 1 . 2]" 2
1806 1 121 GLU HA 1 121 GLU HG2 4.200 . 4.200 2.483 2.274 2.964 . 0 0 "[ . 1 . 2]" 2
1807 1 121 GLU HA 1 121 GLU HG3 4.100 . 4.100 3.120 2.451 3.453 . 0 0 "[ . 1 . 2]" 2
1808 1 160 ARG HA 1 161 ILE HG12 4.600 . 4.600 4.526 4.321 4.714 0.114 13 0 "[ . 1 . 2]" 2
1809 1 121 GLU HA 1 122 PHE HE1 4.470 . 4.470 4.517 4.376 4.558 0.088 11 0 "[ . 1 . 2]" 2
1810 1 102 ILE H 1 102 ILE MD 4.480 . 4.480 4.136 4.092 4.179 . 0 0 "[ . 1 . 2]" 2
1811 1 102 ILE MD 1 122 PHE HZ 4.230 . 4.230 2.248 2.196 2.359 . 0 0 "[ . 1 . 2]" 2
1812 1 102 ILE MD 1 122 PHE HE1 3.880 . 3.880 2.610 2.230 2.902 . 0 0 "[ . 1 . 2]" 2
1813 1 102 ILE HA 1 102 ILE MD 3.870 . 3.870 3.485 3.252 3.553 . 0 0 "[ . 1 . 2]" 2
1814 1 102 ILE HB 1 102 ILE MD 3.330 . 3.330 2.152 2.096 2.165 . 0 0 "[ . 1 . 2]" 2
1815 1 102 ILE MD 1 106 LYS HE2 4.810 . 4.810 3.028 2.806 3.192 . 0 0 "[ . 1 . 2]" 2
1816 1 92 ILE MD 1 129 TYR HD1 4.520 . 4.520 3.667 3.481 3.897 . 0 0 "[ . 1 . 2]" 2
1817 1 92 ILE MD 1 129 TYR HE1 4.000 . 4.000 2.449 2.224 2.913 . 0 0 "[ . 1 . 2]" 2
1818 1 92 ILE HB 1 92 ILE MD 3.380 . 3.380 2.208 2.163 2.285 . 0 0 "[ . 1 . 2]" 2
1819 1 129 TYR HA 1 130 ILE H 3.270 . 3.270 2.269 2.185 2.313 . 0 0 "[ . 1 . 2]" 2
1820 1 93 LEU H 1 129 TYR HA 4.310 . 4.310 4.386 4.330 4.424 0.114 13 0 "[ . 1 . 2]" 2
1821 1 129 TYR HA 1 129 TYR HD1 3.770 . 3.770 2.274 2.194 2.343 . 0 0 "[ . 1 . 2]" 2
1822 1 92 ILE HA 1 129 TYR HA 3.890 . 3.890 3.118 3.023 3.202 . 0 0 "[ . 1 . 2]" 2
1823 1 129 TYR HA 1 130 ILE MD 4.710 . 4.710 3.706 3.446 3.876 . 0 0 "[ . 1 . 2]" 2
1824 1 90 ILE MG 1 129 TYR HA 3.990 . 3.990 2.539 2.429 2.730 . 0 0 "[ . 1 . 2]" 2
1825 1 158 MET HA 1 158 MET HG3 4.110 . 4.110 2.938 2.286 3.555 . 0 0 "[ . 1 . 2]" 2
1826 1 149 VAL HA 1 157 ILE MD 4.660 . 4.660 3.207 2.817 3.556 . 0 0 "[ . 1 . 2]" 2
1827 1 152 PHE HB2 1 157 ILE MD 3.850 . 3.850 2.259 2.205 2.333 . 0 0 "[ . 1 . 2]" 2
1828 1 152 PHE HD1 1 157 ILE MD 4.560 . 4.560 4.283 4.180 4.366 . 0 0 "[ . 1 . 2]" 2
1829 1 152 PHE HB3 1 157 ILE MD 3.700 . 3.700 2.344 2.052 2.665 . 0 0 "[ . 1 . 2]" 2
1830 1 108 LEU MD2 1 157 ILE MD 3.120 . 3.120 2.147 2.091 2.204 . 0 0 "[ . 1 . 2]" 2
1831 1 108 LEU MD1 1 157 ILE MD 3.690 . 3.690 2.219 2.033 2.390 . 0 0 "[ . 1 . 2]" 2
1832 1 90 ILE MD 1 162 LYS HE2 4.660 . 4.660 4.025 2.395 5.033 0.373 7 0 "[ . 1 . 2]" 2
1833 1 90 ILE MD 1 129 TYR HB2 4.330 . 4.330 4.144 3.790 4.226 . 0 0 "[ . 1 . 2]" 2
1834 1 90 ILE HA 1 90 ILE MD 4.350 . 4.350 3.730 3.687 3.760 . 0 0 "[ . 1 . 2]" 2
1835 1 90 ILE MD 1 131 THR HA 4.600 . 4.600 3.776 3.614 3.905 . 0 0 "[ . 1 . 2]" 2
1836 1 164 ILE HB 1 164 ILE MD 3.690 . 3.690 2.239 2.129 2.487 . 0 0 "[ . 1 . 2]" 2
1837 1 93 LEU HA 1 94 ARG H 3.130 . 3.130 2.179 2.163 2.191 . 0 0 "[ . 1 . 2]" 2
1838 1 93 LEU HA 1 94 ARG HA 4.680 . 4.680 4.412 4.404 4.421 . 0 0 "[ . 1 . 2]" 2
1839 1 155 LYS HA 1 156 PRO HG3 4.380 . 4.380 4.438 4.396 4.459 0.079 9 0 "[ . 1 . 2]" 2
1840 1 155 LYS HA 1 155 LYS HG2 3.510 . 3.510 2.509 2.334 2.625 . 0 0 "[ . 1 . 2]" 2
1841 1 142 PHE H 1 161 ILE MD 4.520 . 4.520 3.771 3.686 3.817 . 0 0 "[ . 1 . 2]" 2
1842 1 142 PHE HB3 1 161 ILE MD 3.850 . 3.850 3.284 2.816 3.398 . 0 0 "[ . 1 . 2]" 2
1843 1 142 PHE HB2 1 161 ILE MD 3.730 . 3.730 2.209 2.190 2.255 . 0 0 "[ . 1 . 2]" 2
1844 1 139 GLN HB3 1 161 ILE MD 4.720 . 4.720 4.401 4.296 4.522 . 0 0 "[ . 1 . 2]" 2
1845 1 96 ILE MD 1 128 TRP HD1 4.670 . 4.670 3.298 3.163 3.417 . 0 0 "[ . 1 . 2]" 2
1846 1 96 ILE MD 1 105 VAL HA 4.520 . 4.520 3.813 3.640 4.060 . 0 0 "[ . 1 . 2]" 2
1847 1 96 ILE MD 1 128 TRP HB2 4.740 . 4.740 4.620 4.584 4.656 . 0 0 "[ . 1 . 2]" 2
1848 1 93 LEU HG 1 96 ILE MD 3.270 . 3.270 2.022 2.015 2.042 . 0 0 "[ . 1 . 2]" 2
1849 1 96 ILE MD 1 105 VAL HB 3.620 . 3.620 3.391 3.270 3.494 . 0 0 "[ . 1 . 2]" 2
1850 1 93 LEU MD2 1 96 ILE MD 3.370 . 3.370 1.952 1.946 1.964 . 0 0 "[ . 1 . 2]" 2
1851 1 96 ILE MD 1 96 ILE MG 3.010 . 3.010 1.899 1.877 1.935 . 0 0 "[ . 1 . 2]" 2
1852 1 96 ILE MD 1 128 TRP HE1 5.060 . 5.060 3.517 3.413 3.638 . 0 0 "[ . 1 . 2]" 2
1853 1 130 ILE H 1 130 ILE MD 3.960 . 3.960 2.420 2.256 2.581 . 0 0 "[ . 1 . 2]" 2
1854 1 129 TYR H 1 130 ILE MD 4.660 . 4.660 3.560 3.417 3.646 . 0 0 "[ . 1 . 2]" 2
1855 1 121 GLU H 1 130 ILE MD 4.240 . 4.240 2.439 2.082 2.800 . 0 0 "[ . 1 . 2]" 2
1856 1 109 PHE HE1 1 130 ILE MD 3.610 . 3.610 2.668 2.085 3.325 . 0 0 "[ . 1 . 2]" 2
1857 1 120 CYS HA 1 130 ILE MD 3.620 . 3.620 2.461 2.181 3.310 . 0 0 "[ . 1 . 2]" 2
1858 1 130 ILE HA 1 130 ILE MD 3.430 . 3.430 2.412 2.194 2.794 . 0 0 "[ . 1 . 2]" 2
1859 1 128 TRP HB3 1 130 ILE MD 3.860 . 3.860 2.153 1.978 2.278 . 0 0 "[ . 1 . 2]" 2
1860 1 128 TRP HB2 1 130 ILE MD 4.280 . 4.280 2.978 2.704 3.204 . 0 0 "[ . 1 . 2]" 2
1861 1 130 ILE HB 1 130 ILE MD 3.720 . 3.720 2.288 2.189 2.362 . 0 0 "[ . 1 . 2]" 2
1862 1 127 ASN HA 1 128 TRP H 3.340 . 3.340 2.125 2.112 2.142 . 0 0 "[ . 1 . 2]" 2
1863 1 94 ARG HA 1 127 ASN HA 3.680 . 3.680 2.318 2.253 2.448 . 0 0 "[ . 1 . 2]" 2
1864 1 94 ARG HG2 1 127 ASN HA 4.650 . 4.650 3.494 2.948 4.181 . 0 0 "[ . 1 . 2]" 2
1865 1 92 ILE MG 1 127 ASN HA 4.440 . 4.440 3.205 3.079 3.359 . 0 0 "[ . 1 . 2]" 2
1866 1 94 ARG H 1 127 ASN HA 4.560 . 4.560 4.492 4.352 4.607 0.047 6 0 "[ . 1 . 2]" 2
1867 1 100 THR H 1 101 PRO HD3 4.860 . 4.860 4.592 4.329 4.715 . 0 0 "[ . 1 . 2]" 2
1868 1 118 ILE MD 1 133 GLN H 4.360 . 4.360 3.414 1.753 3.788 0.047 11 0 "[ . 1 . 2]" 2
1869 1 118 ILE MD 1 133 GLN HB3 3.950 . 3.950 2.990 2.248 3.940 . 0 0 "[ . 1 . 2]" 2
1870 1 118 ILE H 1 118 ILE MD 4.630 . 4.630 2.894 1.823 3.769 . 0 0 "[ . 1 . 2]" 2
1871 1 118 ILE MD 1 133 GLN HG3 4.600 . 4.600 2.489 2.144 4.058 . 0 0 "[ . 1 . 2]" 2
1872 1 155 LYS HA 1 156 PRO HD3 3.070 . 3.070 2.280 2.229 2.311 . 0 0 "[ . 1 . 2]" 2
1873 1 155 LYS HA 1 156 PRO HD2 3.210 . 3.210 2.289 2.277 2.304 . 0 0 "[ . 1 . 2]" 2
1874 1 155 LYS HG2 1 156 PRO HD2 4.490 . 4.490 4.443 4.105 4.540 0.050 14 0 "[ . 1 . 2]" 2
1875 1 93 LEU HA 1 159 ALA HA 3.860 . 3.860 2.873 2.567 3.160 . 0 0 "[ . 1 . 2]" 2
1876 1 94 ARG QB 1 159 ALA HA 4.790 . 4.790 3.868 3.192 4.327 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 682.995
_Distance_constraint_stats_list.Viol_max 1.358
_Distance_constraint_stats_list.Viol_rms 0.2790
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0854
_Distance_constraint_stats_list.Viol_average_violations_only 0.5421
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.451 0.138 13 0 "[ . 1 . 2]"
1 17 LEU 0.451 0.138 13 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 24.536 1.358 10 20 [*****-***+**********]
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.479 0.136 9 0 "[ . 1 . 2]"
1 44 ILE 24.565 1.358 10 20 [*****-***+**********]
1 73 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LYS 0.176 0.048 11 0 "[ . 1 . 2]"
1 80 GLU 0.028 0.027 9 0 "[ . 1 . 2]"
1 81 LYS 0.176 0.048 11 0 "[ . 1 . 2]"
1 82 VAL 0.479 0.136 9 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ILE 8.479 0.466 17 0 "[ . 1 . 2]"
1 128 TRP 8.479 0.466 17 0 "[ . 1 . 2]"
1 160 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ASP HA 1 12 CYS H 3.200 . 5.000 4.602 4.191 4.967 . 0 0 "[ . 1 . 2]" 3
2 1 13 LEU HA 1 17 LEU H 3.200 . 5.000 4.635 3.994 5.138 0.138 13 0 "[ . 1 . 2]" 3
3 1 17 LEU HA 1 21 PHE H 3.200 . 5.000 4.242 4.011 4.361 . 0 0 "[ . 1 . 2]" 3
4 1 21 PHE H 1 73 VAL QG 3.200 . 5.000 4.401 4.190 4.531 . 0 0 "[ . 1 . 2]" 3
5 1 26 LEU QD 1 27 SER H 3.200 . 5.000 3.762 3.605 3.912 . 0 0 "[ . 1 . 2]" 3
6 1 37 ASP H 1 44 ILE HA 5.000 3.600 6.800 8.027 7.886 8.158 1.358 10 20 [*****-***+**********] 3
7 1 42 ILE H 1 82 VAL QG 3.200 . 5.000 2.448 2.225 2.807 . 0 0 "[ . 1 . 2]" 3
8 1 42 ILE H 1 82 VAL H 3.200 . 5.000 2.407 2.056 3.132 . 0 0 "[ . 1 . 2]" 3
9 1 42 ILE H 1 83 ARG HA 3.200 . 5.000 3.430 3.234 3.586 . 0 0 "[ . 1 . 2]" 3
10 1 44 ILE H 1 82 VAL H 3.200 . 5.000 4.773 4.605 4.919 . 0 0 "[ . 1 . 2]" 3
11 1 74 GLN H 1 83 ARG H 3.200 . 5.000 4.229 4.050 4.527 . 0 0 "[ . 1 . 2]" 3
12 1 76 ASP H 1 83 ARG H 5.000 3.600 6.800 4.432 4.216 4.746 . 0 0 "[ . 1 . 2]" 3
13 1 76 ASP H 1 82 VAL HA 3.200 . 5.000 2.538 2.279 2.989 . 0 0 "[ . 1 . 2]" 3
14 1 78 LYS H 1 81 LYS H 3.200 . 5.000 4.948 4.783 5.048 0.048 11 0 "[ . 1 . 2]" 3
15 1 44 ILE H 1 80 GLU H 5.000 3.600 6.800 5.829 5.429 6.827 0.027 9 0 "[ . 1 . 2]" 3
16 1 43 PRO HA 1 82 VAL H 3.200 . 5.000 4.960 4.858 5.136 0.136 9 0 "[ . 1 . 2]" 3
17 1 75 VAL HA 1 83 ARG H 3.200 . 5.000 3.360 3.021 3.877 . 0 0 "[ . 1 . 2]" 3
18 1 73 VAL MG1 1 85 SER H 3.200 . 5.000 3.530 3.244 4.045 . 0 0 "[ . 1 . 2]" 3
19 1 96 ILE H 1 128 TRP HE1 3.200 . 5.000 5.424 5.400 5.466 0.466 17 0 "[ . 1 . 2]" 3
20 1 93 LEU HA 1 160 ARG H 3.200 . 5.000 4.012 3.529 4.354 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 127
_Distance_constraint_stats_list.Viol_total 251.022
_Distance_constraint_stats_list.Viol_max 0.465
_Distance_constraint_stats_list.Viol_rms 0.0873
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0523
_Distance_constraint_stats_list.Viol_average_violations_only 0.0988
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 THR 0.058 0.037 18 0 "[ . 1 . 2]"
1 10 LYS 1.876 0.110 1 0 "[ . 1 . 2]"
1 14 LYS 1.819 0.110 1 0 "[ . 1 . 2]"
1 42 ILE 10.000 0.465 9 0 "[ . 1 . 2]"
1 74 GLN 0.674 0.088 18 0 "[ . 1 . 2]"
1 82 VAL 10.000 0.465 9 0 "[ . 1 . 2]"
1 83 ARG 0.674 0.088 18 0 "[ . 1 . 2]"
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 6 THR O 1 10 LYS N 3.000 2.500 3.500 3.111 2.685 3.537 0.037 18 0 "[ . 1 . 2]" 4
2 1 6 THR O 1 10 LYS H 2.100 . 2.600 2.159 1.724 2.619 0.019 18 0 "[ . 1 . 2]" 4
3 1 10 LYS O 1 14 LYS N 3.000 2.500 3.500 3.554 3.430 3.610 0.110 1 0 "[ . 1 . 2]" 4
4 1 10 LYS O 1 14 LYS H 2.100 . 2.600 2.631 2.578 2.688 0.088 14 0 "[ . 1 . 2]" 4
5 1 42 ILE N 1 82 VAL O 3.000 2.500 3.500 2.430 2.364 2.493 0.136 1 0 "[ . 1 . 2]" 4
6 1 42 ILE H 1 82 VAL O 2.100 . 2.600 1.529 1.494 1.550 0.106 12 0 "[ . 1 . 2]" 4
7 1 74 GLN N 1 83 ARG O 3.000 2.500 3.500 3.459 3.202 3.588 0.088 18 0 "[ . 1 . 2]" 4
8 1 74 GLN H 1 83 ARG O 2.100 . 2.600 2.593 2.407 2.672 0.072 18 0 "[ . 1 . 2]" 4
9 1 42 ILE O 1 82 VAL N 3.000 2.500 3.500 3.550 3.383 3.886 0.386 9 0 "[ . 1 . 2]" 4
10 1 42 ILE O 1 82 VAL H 2.100 . 2.600 2.875 2.815 3.065 0.465 9 0 "[ . 1 . 2]" 4
11 1 74 GLN O 1 83 ARG N 3.000 2.500 3.500 3.165 2.879 3.521 0.021 11 0 "[ . 1 . 2]" 4
12 1 74 GLN O 1 83 ARG H 2.100 . 2.600 2.283 1.986 2.630 0.030 11 0 "[ . 1 . 2]" 4
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 4:39:45 PM GMT (wattos1)