NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
459016 |
2kuf   |
16734 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kuf
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 1714
_Distance_constraint_stats_list.Viol_count 3454
_Distance_constraint_stats_list.Viol_total 4126.879
_Distance_constraint_stats_list.Viol_max 0.221
_Distance_constraint_stats_list.Viol_rms 0.0133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0398
_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 5 PRO 0.200 0.036 24 0 "[ . 1 . 2 . 3]"
1 6 ALA 1.530 0.170 2 0 "[ . 1 . 2 . 3]"
1 7 THR 3.702 0.170 2 0 "[ . 1 . 2 . 3]"
1 8 LYS 1.129 0.103 16 0 "[ . 1 . 2 . 3]"
1 9 ASP 1.243 0.123 20 0 "[ . 1 . 2 . 3]"
1 10 ILE 0.147 0.031 6 0 "[ . 1 . 2 . 3]"
1 11 PRO 0.673 0.056 10 0 "[ . 1 . 2 . 3]"
1 12 ASP 1.681 0.117 13 0 "[ . 1 . 2 . 3]"
1 13 VAL 3.193 0.108 30 0 "[ . 1 . 2 . 3]"
1 14 ALA 2.430 0.117 13 0 "[ . 1 . 2 . 3]"
1 15 GLY 1.745 0.088 21 0 "[ . 1 . 2 . 3]"
1 16 GLN 4.700 0.150 2 0 "[ . 1 . 2 . 3]"
1 17 THR 4.990 0.105 17 0 "[ . 1 . 2 . 3]"
1 18 VAL 0.290 0.063 27 0 "[ . 1 . 2 . 3]"
1 19 ASP 1.651 0.174 28 0 "[ . 1 . 2 . 3]"
1 20 VAL 8.007 0.169 26 0 "[ . 1 . 2 . 3]"
1 21 ALA 8.325 0.169 5 0 "[ . 1 . 2 . 3]"
1 22 GLN 5.448 0.139 21 0 "[ . 1 . 2 . 3]"
1 23 LYS 2.881 0.140 9 0 "[ . 1 . 2 . 3]"
1 24 ASN 9.177 0.169 26 0 "[ . 1 . 2 . 3]"
1 25 LEU 1.929 0.140 9 0 "[ . 1 . 2 . 3]"
1 26 ASN 11.793 0.181 28 0 "[ . 1 . 2 . 3]"
1 27 VAL 1.050 0.074 20 0 "[ . 1 . 2 . 3]"
1 28 TYR 0.722 0.055 20 0 "[ . 1 . 2 . 3]"
1 29 GLY 2.967 0.123 10 0 "[ . 1 . 2 . 3]"
1 30 PHE 3.629 0.181 28 0 "[ . 1 . 2 . 3]"
1 31 THR 1.367 0.092 24 0 "[ . 1 . 2 . 3]"
1 32 LYS 1.325 0.092 24 0 "[ . 1 . 2 . 3]"
1 33 PHE 3.787 0.139 21 0 "[ . 1 . 2 . 3]"
1 34 SER 3.019 0.095 22 0 "[ . 1 . 2 . 3]"
1 35 GLN 1.658 0.152 9 0 "[ . 1 . 2 . 3]"
1 36 ALA 0.012 0.009 21 0 "[ . 1 . 2 . 3]"
1 37 SER 0.194 0.182 19 0 "[ . 1 . 2 . 3]"
1 38 VAL 2.083 0.182 19 0 "[ . 1 . 2 . 3]"
1 39 ASP 2.551 0.089 7 0 "[ . 1 . 2 . 3]"
1 40 SER 1.246 0.123 12 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ARG 2.660 0.175 6 0 "[ . 1 . 2 . 3]"
1 43 PRO 0.998 0.065 10 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.107 0.032 7 0 "[ . 1 . 2 . 3]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 GLU 3.921 0.144 13 0 "[ . 1 . 2 . 3]"
1 47 VAL 2.919 0.149 11 0 "[ . 1 . 2 . 3]"
1 48 THR 4.673 0.149 11 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.386 0.035 27 0 "[ . 1 . 2 . 3]"
1 50 THR 0.402 0.053 1 0 "[ . 1 . 2 . 3]"
1 51 ASN 4.389 0.183 24 0 "[ . 1 . 2 . 3]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 GLY 0.131 0.044 12 0 "[ . 1 . 2 . 3]"
1 56 THR 0.209 0.044 12 0 "[ . 1 . 2 . 3]"
1 57 THR 0.253 0.123 20 0 "[ . 1 . 2 . 3]"
1 58 VAL 0.544 0.098 4 0 "[ . 1 . 2 . 3]"
1 59 PRO 1.224 0.069 2 0 "[ . 1 . 2 . 3]"
1 60 VAL 2.524 0.103 16 0 "[ . 1 . 2 . 3]"
1 61 ASP 0.894 0.105 7 0 "[ . 1 . 2 . 3]"
1 62 SER 1.943 0.108 9 0 "[ . 1 . 2 . 3]"
1 63 VAL 1.871 0.108 9 0 "[ . 1 . 2 . 3]"
1 64 ILE 0.388 0.061 7 0 "[ . 1 . 2 . 3]"
1 65 GLU 2.472 0.183 24 0 "[ . 1 . 2 . 3]"
1 66 LEU 1.598 0.095 22 0 "[ . 1 . 2 . 3]"
1 67 GLN 2.758 0.187 28 0 "[ . 1 . 2 . 3]"
1 68 VAL 0.202 0.039 5 0 "[ . 1 . 2 . 3]"
1 69 SER 0.687 0.082 5 0 "[ . 1 . 2 . 3]"
1 70 LYS 1.627 0.113 7 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.283 0.051 4 0 "[ . 1 . 2 . 3]"
1 72 ASN 1.932 0.123 12 0 "[ . 1 . 2 . 3]"
1 73 GLN 1.867 0.136 3 0 "[ . 1 . 2 . 3]"
1 74 PHE 0.482 0.052 23 0 "[ . 1 . 2 . 3]"
1 75 VAL 0.015 0.015 30 0 "[ . 1 . 2 . 3]"
1 76 MET 1.705 0.133 25 0 "[ . 1 . 2 . 3]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 ASP 0.133 0.029 18 0 "[ . 1 . 2 . 3]"
1 79 LEU 0.415 0.174 12 0 "[ . 1 . 2 . 3]"
1 80 SER 0.408 0.174 12 0 "[ . 1 . 2 . 3]"
1 81 GLY 0.812 0.087 7 0 "[ . 1 . 2 . 3]"
1 82 MET 3.593 0.123 10 0 "[ . 1 . 2 . 3]"
1 83 PHE 3.743 0.129 20 0 "[ . 1 . 2 . 3]"
1 84 TRP 1.757 0.071 20 0 "[ . 1 . 2 . 3]"
1 85 VAL 2.508 0.129 20 0 "[ . 1 . 2 . 3]"
1 86 ASP 0.342 0.056 8 0 "[ . 1 . 2 . 3]"
1 87 ALA 0.027 0.012 7 0 "[ . 1 . 2 . 3]"
1 88 GLU 2.494 0.087 16 0 "[ . 1 . 2 . 3]"
1 89 PRO 2.906 0.095 23 0 "[ . 1 . 2 . 3]"
1 90 ARG 2.450 0.163 13 0 "[ . 1 . 2 . 3]"
1 91 LEU 2.923 0.110 19 0 "[ . 1 . 2 . 3]"
1 92 ARG 1.383 0.102 22 0 "[ . 1 . 2 . 3]"
1 93 ALA 1.230 0.163 13 0 "[ . 1 . 2 . 3]"
1 94 LEU 5.260 0.199 23 0 "[ . 1 . 2 . 3]"
1 95 GLY 0.063 0.024 23 0 "[ . 1 . 2 . 3]"
1 96 TRP 5.025 0.128 22 0 "[ . 1 . 2 . 3]"
1 97 THR 0.606 0.148 23 0 "[ . 1 . 2 . 3]"
1 98 GLY 2.084 0.104 9 0 "[ . 1 . 2 . 3]"
1 99 MET 1.464 0.084 7 0 "[ . 1 . 2 . 3]"
1 100 LEU 1.929 0.147 28 0 "[ . 1 . 2 . 3]"
1 101 ASP 1.734 0.147 28 0 "[ . 1 . 2 . 3]"
1 102 LYS 5.439 0.221 1 0 "[ . 1 . 2 . 3]"
1 103 GLY 2.589 0.192 18 0 "[ . 1 . 2 . 3]"
1 104 ALA 0.135 0.021 5 0 "[ . 1 . 2 . 3]"
1 105 ASP 1.638 0.172 27 0 "[ . 1 . 2 . 3]"
1 106 VAL 1.014 0.099 15 0 "[ . 1 . 2 . 3]"
1 107 ASP 1.247 0.111 17 0 "[ . 1 . 2 . 3]"
1 108 ALA 0.284 0.103 25 0 "[ . 1 . 2 . 3]"
1 109 GLY 2.277 0.114 17 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.802 0.114 17 0 "[ . 1 . 2 . 3]"
1 111 SER 3.681 0.190 17 0 "[ . 1 . 2 . 3]"
1 112 GLN 2.780 0.114 26 0 "[ . 1 . 2 . 3]"
1 113 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 114 ASN 0.320 0.120 2 0 "[ . 1 . 2 . 3]"
1 115 ARG 1.946 0.123 10 0 "[ . 1 . 2 . 3]"
1 116 VAL 1.945 0.117 24 0 "[ . 1 . 2 . 3]"
1 117 VAL 0.333 0.050 19 0 "[ . 1 . 2 . 3]"
1 118 TYR 0.544 0.109 29 0 "[ . 1 . 2 . 3]"
1 119 GLN 0.002 0.002 18 0 "[ . 1 . 2 . 3]"
1 120 ASN 0.854 0.066 26 0 "[ . 1 . 2 . 3]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 122 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 123 ALA 0.044 0.018 6 0 "[ . 1 . 2 . 3]"
1 124 GLY 0.008 0.008 26 0 "[ . 1 . 2 . 3]"
1 125 THR 1.002 0.069 25 0 "[ . 1 . 2 . 3]"
1 126 GLY 0.015 0.015 30 0 "[ . 1 . 2 . 3]"
1 127 VAL 0.195 0.039 13 0 "[ . 1 . 2 . 3]"
1 128 ASN 5.480 0.220 13 0 "[ . 1 . 2 . 3]"
1 129 ARG 0.874 0.104 24 0 "[ . 1 . 2 . 3]"
1 130 ASP 0.820 0.112 15 0 "[ . 1 . 2 . 3]"
1 131 GLY 2.959 0.220 13 0 "[ . 1 . 2 . 3]"
1 132 ILE 2.924 0.088 23 0 "[ . 1 . 2 . 3]"
1 133 ILE 1.490 0.128 22 0 "[ . 1 . 2 . 3]"
1 134 THR 2.214 0.099 22 0 "[ . 1 . 2 . 3]"
1 135 LEU 1.804 0.149 18 0 "[ . 1 . 2 . 3]"
1 136 ARG 0.063 0.022 20 0 "[ . 1 . 2 . 3]"
1 137 PHE 0.595 0.118 29 0 "[ . 1 . 2 . 3]"
1 138 GLY 0.412 0.120 2 0 "[ . 1 . 2 . 3]"
1 139 GLN 4.959 0.172 27 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 PRO HA 1 6 ALA H 2.400 . 2.400 2.209 2.116 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 5 PRO QB 1 6 ALA H 3.860 . 3.860 3.009 2.683 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 5 PRO QB 1 7 THR H 6.160 . 6.160 3.292 2.170 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 5 PRO HB3 1 6 ALA H 3.670 . 3.670 3.502 3.064 3.706 0.036 24 0 "[ . 1 . 2 . 3]" 1
5 1 5 PRO HB2 1 6 ALA H 3.670 . 3.670 3.332 2.773 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 6 ALA HA 1 7 THR HA 4.440 . 4.440 4.410 4.321 4.459 0.019 20 0 "[ . 1 . 2 . 3]" 1
7 1 6 ALA HA 1 7 THR H 3.100 . 3.100 3.091 2.756 3.270 0.170 2 0 "[ . 1 . 2 . 3]" 1
8 1 6 ALA MB 1 7 THR HA 5.520 . 5.520 4.255 4.150 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 ALA MB 1 60 VAL QG 6.120 . 6.120 2.958 2.240 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 6 ALA MB 1 60 VAL H 5.120 . 5.120 3.855 3.195 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 6 ALA MB 1 61 ASP H 5.630 . 5.630 4.624 2.875 5.325 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 6 ALA H 1 7 THR H 3.150 . 3.150 2.434 1.947 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 6 ALA H 1 60 VAL QG 6.210 . 6.210 4.249 3.225 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 7 THR HA 1 8 LYS H 3.000 . 3.000 2.246 2.159 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 7 THR HA 1 59 PRO HA 4.630 . 4.630 2.159 1.961 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 7 THR HA 1 60 VAL HB 4.620 . 4.620 3.408 3.121 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 7 THR HA 1 60 VAL QG 6.550 . 6.550 3.650 2.566 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 7 THR HA 1 60 VAL H 3.650 . 3.650 2.331 2.224 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 7 THR HB 1 8 LYS H 3.400 . 3.400 2.825 2.590 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 7 THR HB 1 58 VAL H 5.250 . 5.250 3.805 3.289 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 7 THR HB 1 59 PRO HA 4.440 . 4.440 3.766 3.277 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 THR HB 1 60 VAL H 4.760 . 4.760 4.796 4.479 4.841 0.081 8 0 "[ . 1 . 2 . 3]" 1
23 1 7 THR MG 1 8 LYS H 5.070 . 5.070 3.658 3.420 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 7 THR MG 1 59 PRO HA 4.400 . 4.400 2.034 1.909 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 7 THR MG 1 60 VAL H 4.780 . 4.780 3.477 3.367 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 THR H 1 7 THR HB 4.030 . 4.030 3.768 3.641 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 THR H 1 7 THR MG 4.580 . 4.580 3.250 2.951 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 THR H 1 8 LYS HA 5.380 . 5.380 4.719 4.559 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 7 THR H 1 8 LYS QG 6.220 . 6.220 4.878 3.576 6.303 0.083 19 0 "[ . 1 . 2 . 3]" 1
30 1 7 THR H 1 8 LYS H 4.320 . 4.320 4.299 4.227 4.364 0.044 2 0 "[ . 1 . 2 . 3]" 1
31 1 7 THR H 1 60 VAL HB 4.060 . 4.060 3.994 3.408 4.129 0.069 21 0 "[ . 1 . 2 . 3]" 1
32 1 7 THR H 1 60 VAL QG 6.030 . 6.030 3.852 3.487 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 7 THR H 1 60 VAL MG1 5.520 . 5.520 4.029 3.602 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 7 THR H 1 60 VAL MG2 5.520 . 5.520 5.141 3.575 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 8 LYS HA 1 9 ASP H 2.620 . 2.620 2.215 2.096 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 8 LYS QB 1 9 ASP HA 5.510 . 5.510 4.485 4.164 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 8 LYS QB 1 9 ASP H 4.110 . 4.110 3.105 2.539 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 LYS QB 1 60 VAL QG 6.290 . 6.290 3.299 2.136 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 8 LYS QG 1 9 ASP H 5.260 . 5.260 3.611 2.463 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 8 LYS H 1 8 LYS HB3 3.840 . 3.840 3.440 2.734 3.852 0.012 18 0 "[ . 1 . 2 . 3]" 1
41 1 8 LYS H 1 8 LYS HB2 3.840 . 3.840 2.935 2.619 3.877 0.037 20 0 "[ . 1 . 2 . 3]" 1
42 1 8 LYS H 1 8 LYS QG 4.810 . 4.810 3.641 2.509 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 8 LYS H 1 9 ASP H 4.450 . 4.450 4.268 4.107 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 8 LYS H 1 58 VAL H 3.680 . 3.680 2.862 2.624 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 LYS H 1 60 VAL HB 4.500 . 4.500 4.108 3.754 4.603 0.103 16 0 "[ . 1 . 2 . 3]" 1
46 1 8 LYS H 1 60 VAL QG 6.550 . 6.550 4.370 2.396 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 LYS H 1 60 VAL H 3.880 . 3.880 3.853 3.582 3.947 0.067 10 0 "[ . 1 . 2 . 3]" 1
48 1 9 ASP HA 1 10 ILE HA 4.890 . 4.890 4.246 4.133 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 ASP HA 1 10 ILE MG 5.830 . 5.830 3.605 3.374 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 9 ASP HA 1 55 GLY H 5.500 . 5.500 5.182 4.850 5.530 0.030 22 0 "[ . 1 . 2 . 3]" 1
51 1 9 ASP HA 1 56 THR HA 5.500 . 5.500 4.932 4.605 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 9 ASP HA 1 56 THR MG 6.330 . 6.330 4.980 4.568 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 9 ASP HA 1 56 THR H 5.500 . 5.500 4.986 4.648 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 9 ASP HA 1 57 THR HA 3.630 . 3.630 1.866 1.785 1.974 0.015 27 0 "[ . 1 . 2 . 3]" 1
55 1 9 ASP HA 1 57 THR HB 5.190 . 5.190 3.577 2.982 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 9 ASP HA 1 57 THR H 4.730 . 4.730 4.090 3.805 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 9 ASP HA 1 58 VAL H 3.680 . 3.680 3.172 2.642 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 ASP HA 1 64 ILE MD 6.530 . 6.530 6.122 5.645 6.591 0.061 7 0 "[ . 1 . 2 . 3]" 1
59 1 9 ASP QB 1 55 GLY H 5.300 . 5.300 4.255 3.398 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 9 ASP QB 1 56 THR H 5.760 . 5.760 4.589 3.790 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 9 ASP HB3 1 10 ILE H 4.350 . 4.350 3.885 2.933 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 9 ASP HB2 1 10 ILE H 4.350 . 4.350 3.259 2.744 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 9 ASP H 1 9 ASP QB 3.760 . 3.760 2.630 2.359 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 9 ASP H 1 9 ASP HB3 3.650 . 3.650 2.928 2.584 3.658 0.008 3 0 "[ . 1 . 2 . 3]" 1
65 1 9 ASP H 1 9 ASP HB2 3.650 . 3.650 3.413 2.392 3.708 0.058 9 0 "[ . 1 . 2 . 3]" 1
66 1 9 ASP H 1 10 ILE HA 5.500 . 5.500 5.143 4.917 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 9 ASP H 1 10 ILE H 4.620 . 4.620 4.471 4.396 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 9 ASP H 1 57 THR HA 4.620 . 4.620 3.924 3.566 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 9 ASP H 1 57 THR HB 5.500 . 5.500 4.565 3.920 5.623 0.123 20 0 "[ . 1 . 2 . 3]" 1
70 1 9 ASP H 1 58 VAL H 4.690 . 4.690 4.653 4.404 4.788 0.098 4 0 "[ . 1 . 2 . 3]" 1
71 1 10 ILE HA 1 25 LEU QD 5.690 . 5.690 3.742 2.340 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 ILE HB 1 64 ILE MD 5.220 . 5.220 3.749 3.148 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 10 ILE MD 1 54 ALA HA 4.820 . 4.820 3.105 2.405 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 10 ILE MD 1 54 ALA H 5.140 . 5.140 4.369 3.842 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 10 ILE MD 1 55 GLY H 5.520 . 5.520 4.021 3.453 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 ILE MD 1 56 THR H 4.700 . 4.700 3.665 3.094 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 10 ILE MD 1 64 ILE MD 6.440 . 6.440 3.546 2.244 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 10 ILE QG 1 54 ALA HA 4.440 . 4.440 2.279 1.976 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 10 ILE QG 1 55 GLY H 4.690 . 4.690 2.500 1.950 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 ILE QG 1 56 THR H 4.280 . 4.280 2.898 2.564 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 ILE QG 1 64 ILE MD 7.240 . 7.240 4.539 3.832 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 ILE HG12 1 55 GLY H 4.660 . 4.660 3.560 3.007 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 ILE HG12 1 56 THR H 3.900 . 3.900 3.284 2.896 3.901 0.001 16 0 "[ . 1 . 2 . 3]" 1
84 1 10 ILE MG 1 11 PRO HD3 6.140 . 6.140 3.856 3.560 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 10 ILE MG 1 11 PRO HD2 6.140 . 6.140 3.545 3.187 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 ILE MG 1 25 LEU QD 7.480 . 7.480 2.819 1.933 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 ILE MG 1 55 GLY H 6.530 . 6.530 4.952 4.607 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 10 ILE MG 1 56 THR H 5.800 . 5.800 5.132 4.816 5.593 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 ILE MG 1 64 ILE MD 6.570 . 6.570 2.029 1.864 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 ILE H 1 10 ILE HB 4.080 . 4.080 3.683 3.634 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 10 ILE H 1 10 ILE MD 4.910 . 4.910 3.706 3.608 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 ILE H 1 10 ILE QG 4.550 . 4.550 2.006 1.915 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 10 ILE H 1 10 ILE HG12 4.470 . 4.470 2.041 1.938 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 10 ILE H 1 11 PRO QD 5.380 . 5.380 4.277 4.033 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 10 ILE H 1 54 ALA HA 5.500 . 5.500 4.822 4.490 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 10 ILE H 1 55 GLY H 4.460 . 4.460 3.628 3.362 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 10 ILE H 1 56 THR H 3.960 . 3.960 3.861 3.583 3.991 0.031 6 0 "[ . 1 . 2 . 3]" 1
98 1 10 ILE H 1 57 THR HA 4.190 . 4.190 3.358 3.069 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 10 ILE H 1 57 THR H 5.500 . 5.500 4.948 4.764 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 ILE H 1 58 VAL QG 6.780 . 6.780 3.514 2.969 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 10 ILE H 1 58 VAL H 4.390 . 4.390 4.175 3.913 4.402 0.012 27 0 "[ . 1 . 2 . 3]" 1
102 1 10 ILE H 1 64 ILE MD 6.530 . 6.530 5.324 5.061 5.722 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 11 PRO HA 1 12 ASP H 2.770 . 2.770 2.484 2.295 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 11 PRO HB3 1 12 ASP H 3.310 . 3.310 3.249 2.815 3.366 0.056 10 0 "[ . 1 . 2 . 3]" 1
105 1 11 PRO HB2 1 12 ASP H 3.310 . 3.310 2.495 1.928 3.315 0.005 2 0 "[ . 1 . 2 . 3]" 1
106 1 11 PRO QD 1 25 LEU QB 5.040 . 5.040 3.531 2.157 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 11 PRO QD 1 25 LEU QD 6.400 . 6.400 2.872 1.847 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 11 PRO QD 1 64 ILE MD 6.020 . 6.020 4.569 3.554 5.517 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 ASP HA 1 13 VAL QG 4.740 . 4.740 3.318 3.098 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 ASP HA 1 13 VAL H 3.240 . 3.240 2.049 1.895 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 ASP HA 1 14 ALA H 3.880 . 3.880 3.508 2.899 3.997 0.117 13 0 "[ . 1 . 2 . 3]" 1
112 1 12 ASP HA 1 54 ALA MB 4.370 . 4.370 2.451 1.859 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 12 ASP QB 1 13 VAL QG 6.620 . 6.620 4.296 4.007 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 12 ASP QB 1 14 ALA H 4.520 . 4.520 3.403 2.723 4.174 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 12 ASP QB 1 54 ALA MB 5.410 . 5.410 2.427 1.997 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 12 ASP HB3 1 13 VAL H 4.410 . 4.410 4.269 3.838 4.479 0.069 24 0 "[ . 1 . 2 . 3]" 1
117 1 12 ASP HB2 1 13 VAL H 4.410 . 4.410 3.780 3.017 4.421 0.011 29 0 "[ . 1 . 2 . 3]" 1
118 1 12 ASP H 1 12 ASP QB 3.820 . 3.820 2.612 2.281 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 12 ASP H 1 13 VAL QG 4.560 . 4.560 4.105 3.529 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 12 ASP H 1 13 VAL MG1 5.540 . 5.540 4.281 3.693 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 ASP H 1 13 VAL MG2 5.540 . 5.540 5.286 4.480 5.507 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 12 ASP H 1 13 VAL H 4.330 . 4.330 4.196 3.182 4.391 0.061 6 0 "[ . 1 . 2 . 3]" 1
123 1 13 VAL HA 1 14 ALA H 3.230 . 3.230 2.877 2.145 3.301 0.071 6 0 "[ . 1 . 2 . 3]" 1
124 1 13 VAL HA 1 15 GLY H 4.940 . 4.940 4.951 4.614 5.028 0.088 21 0 "[ . 1 . 2 . 3]" 1
125 1 13 VAL HA 1 16 GLN QE 5.500 . 5.500 2.477 1.766 3.932 0.034 8 0 "[ . 1 . 2 . 3]" 1
126 1 13 VAL HB 1 14 ALA H 5.200 . 5.200 4.269 4.085 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 VAL HB 1 16 GLN H 4.660 . 4.660 4.570 4.004 4.732 0.072 19 0 "[ . 1 . 2 . 3]" 1
128 1 13 VAL HB 1 21 ALA HA 3.660 . 3.660 2.914 2.248 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 VAL HB 1 21 ALA H 4.700 . 4.700 4.667 4.398 4.775 0.075 12 0 "[ . 1 . 2 . 3]" 1
130 1 13 VAL QG 1 14 ALA H 4.660 . 4.660 3.264 2.735 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 VAL QG 1 15 GLY H 6.160 . 6.160 4.702 4.304 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 VAL QG 1 16 GLN QE 6.410 . 6.410 2.884 2.262 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 VAL QG 1 16 GLN H 6.430 . 6.430 4.702 4.273 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 VAL QG 1 21 ALA HA 3.690 . 3.690 2.874 2.461 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 VAL QG 1 21 ALA MB 5.040 . 5.040 2.124 1.949 2.405 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 VAL QG 1 24 ASN QB 4.540 . 4.540 2.973 2.189 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 VAL QG 1 24 ASN QD 4.770 . 4.770 3.430 1.835 4.792 0.022 10 0 "[ . 1 . 2 . 3]" 1
138 1 13 VAL QG 1 25 LEU H 4.790 . 4.790 3.535 2.604 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 13 VAL QG 1 47 VAL QG 6.330 . 6.330 2.469 1.957 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 13 VAL MG1 1 14 ALA H 5.570 . 5.570 4.215 4.051 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 13 VAL MG1 1 21 ALA HA 4.840 . 4.840 2.962 2.525 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 13 VAL MG2 1 14 ALA H 5.570 . 5.570 3.447 2.780 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 13 VAL MG2 1 21 ALA HA 4.840 . 4.840 3.968 3.189 4.843 0.003 6 0 "[ . 1 . 2 . 3]" 1
144 1 13 VAL H 1 13 VAL QG 3.980 . 3.980 2.011 1.805 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 13 VAL H 1 13 VAL MG1 4.570 . 4.570 2.796 2.368 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 13 VAL H 1 13 VAL MG2 4.570 . 4.570 2.064 1.841 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 13 VAL H 1 14 ALA MB 4.940 . 4.940 3.856 3.534 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 13 VAL H 1 14 ALA H 2.980 . 2.980 2.555 1.911 3.088 0.108 30 0 "[ . 1 . 2 . 3]" 1
149 1 13 VAL H 1 47 VAL QG 6.460 . 6.460 4.509 3.899 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 ALA HA 1 15 GLY H 3.350 . 3.350 2.141 2.072 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 14 ALA HA 1 16 GLN H 4.090 . 4.090 3.905 3.477 4.149 0.059 10 0 "[ . 1 . 2 . 3]" 1
152 1 14 ALA HA 1 47 VAL H 4.680 . 4.680 4.693 4.426 4.767 0.087 25 0 "[ . 1 . 2 . 3]" 1
153 1 14 ALA HA 1 49 GLY QA 3.710 . 3.710 3.277 2.803 3.735 0.025 11 0 "[ . 1 . 2 . 3]" 1
154 1 14 ALA HA 1 49 GLY H 4.590 . 4.590 3.788 2.995 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 14 ALA MB 1 15 GLY H 4.760 . 4.760 3.436 3.366 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 ALA MB 1 48 THR H 5.980 . 5.980 4.893 4.478 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 ALA MB 1 49 GLY H 4.770 . 4.770 3.671 3.141 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 14 ALA MB 1 50 THR H 5.370 . 5.370 4.185 3.477 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 ALA H 1 14 ALA MB 3.480 . 3.480 2.297 2.190 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 ALA H 1 15 GLY QA 5.950 . 5.950 4.731 4.173 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 ALA H 1 15 GLY H 4.210 . 4.210 4.162 3.780 4.236 0.026 7 0 "[ . 1 . 2 . 3]" 1
162 1 14 ALA H 1 16 GLN QE 6.210 . 6.210 4.555 3.303 5.634 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 14 ALA H 1 47 VAL QG 6.590 . 6.590 4.047 3.718 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 14 ALA H 1 49 GLY QA 4.540 . 4.540 3.938 3.200 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 GLY H 1 16 GLN HA 4.530 . 4.530 4.513 4.361 4.576 0.046 30 0 "[ . 1 . 2 . 3]" 1
166 1 15 GLY H 1 16 GLN QB 5.790 . 5.790 4.626 3.918 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 GLY H 1 16 GLN QG 5.610 . 5.610 4.397 3.369 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 15 GLY H 1 16 GLN H 3.480 . 3.480 2.207 1.973 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 15 GLY H 1 46 GLU QG 4.490 . 4.490 3.488 3.022 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 GLY H 1 47 VAL HB 5.290 . 5.290 5.068 3.315 5.371 0.081 10 0 "[ . 1 . 2 . 3]" 1
171 1 15 GLY H 1 47 VAL QG 6.250 . 6.250 2.484 1.797 3.594 0.003 18 0 "[ . 1 . 2 . 3]" 1
172 1 15 GLY H 1 47 VAL MG1 6.280 . 6.280 2.503 1.800 3.699 0.000 18 0 "[ . 1 . 2 . 3]" 1
173 1 15 GLY H 1 47 VAL MG2 6.280 . 6.280 4.358 4.005 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 GLY H 1 47 VAL H 4.710 . 4.710 3.667 3.480 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 16 GLN HA 1 17 THR H 2.980 . 2.980 2.648 2.432 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 16 GLN QE 1 21 ALA HA 5.120 . 5.120 3.515 2.086 5.270 0.150 2 0 "[ . 1 . 2 . 3]" 1
177 1 16 GLN QE 1 24 ASN QD 5.460 . 5.460 2.830 2.037 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 16 GLN QG 1 17 THR H 5.320 . 5.320 3.310 2.921 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 16 GLN QG 1 21 ALA H 6.170 . 6.170 3.268 2.554 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 16 GLN HG3 1 17 THR H 5.170 . 5.170 3.835 3.009 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 16 GLN HG2 1 17 THR H 5.170 . 5.170 3.732 3.105 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 16 GLN H 1 16 GLN QE 4.890 . 4.890 3.600 2.991 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 16 GLN H 1 16 GLN HE21 4.600 . 4.600 4.096 3.029 4.666 0.066 27 0 "[ . 1 . 2 . 3]" 1
184 1 16 GLN H 1 16 GLN HE22 4.600 . 4.600 4.140 3.578 4.696 0.096 22 0 "[ . 1 . 2 . 3]" 1
185 1 16 GLN H 1 16 GLN QG 4.200 . 4.200 2.683 1.754 3.567 0.046 7 0 "[ . 1 . 2 . 3]" 1
186 1 16 GLN H 1 17 THR H 4.380 . 4.380 4.402 4.368 4.444 0.064 2 0 "[ . 1 . 2 . 3]" 1
187 1 16 GLN H 1 21 ALA MB 4.810 . 4.810 3.913 3.568 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 GLN H 1 21 ALA H 5.500 . 5.500 5.562 5.499 5.624 0.124 20 0 "[ . 1 . 2 . 3]" 1
189 1 16 GLN H 1 47 VAL H 4.560 . 4.560 4.326 3.937 4.606 0.046 5 0 "[ . 1 . 2 . 3]" 1
190 1 17 THR HA 1 18 VAL HA 4.330 . 4.330 4.264 4.194 4.339 0.009 8 0 "[ . 1 . 2 . 3]" 1
191 1 17 THR HA 1 18 VAL H 3.040 . 3.040 2.320 2.261 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 17 THR HA 1 20 VAL H 4.530 . 4.530 4.577 4.510 4.621 0.091 2 0 "[ . 1 . 2 . 3]" 1
193 1 17 THR HA 1 21 ALA H 4.920 . 4.920 4.971 4.910 5.017 0.097 10 0 "[ . 1 . 2 . 3]" 1
194 1 17 THR HA 1 46 GLU HA 3.480 . 3.480 2.481 2.036 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 17 THR HA 1 46 GLU H 5.040 . 5.040 4.702 4.515 5.046 0.006 4 0 "[ . 1 . 2 . 3]" 1
196 1 17 THR HB 1 18 VAL H 4.600 . 4.600 3.684 3.559 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 17 THR HB 1 19 ASP H 4.850 . 4.850 3.486 3.271 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 17 THR HB 1 20 VAL HA 4.540 . 4.540 4.568 4.460 4.645 0.105 17 0 "[ . 1 . 2 . 3]" 1
199 1 17 THR HB 1 20 VAL H 4.460 . 4.460 2.390 2.179 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 17 THR MG 1 18 VAL H 4.210 . 4.210 2.184 2.118 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 17 THR MG 1 19 ASP H 4.590 . 4.590 2.199 1.916 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 17 THR MG 1 20 VAL H 4.630 . 4.630 3.154 2.904 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 17 THR MG 1 46 GLU HA 5.560 . 5.560 3.852 3.262 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 17 THR H 1 17 THR MG 4.730 . 4.730 3.689 3.621 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 17 THR H 1 18 VAL H 4.700 . 4.700 4.592 4.541 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 17 THR H 1 19 ASP H 5.500 . 5.500 5.495 5.420 5.531 0.031 27 0 "[ . 1 . 2 . 3]" 1
207 1 17 THR H 1 20 VAL HB 3.090 . 3.090 2.655 2.328 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 17 THR H 1 20 VAL QG 5.440 . 5.440 2.948 2.795 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 17 THR H 1 20 VAL H 4.240 . 4.240 4.152 3.955 4.258 0.018 5 0 "[ . 1 . 2 . 3]" 1
210 1 17 THR H 1 21 ALA H 4.420 . 4.420 4.265 3.859 4.435 0.015 16 0 "[ . 1 . 2 . 3]" 1
211 1 18 VAL HA 1 20 VAL H 4.740 . 4.740 4.232 4.113 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 18 VAL HA 1 21 ALA MB 4.570 . 4.570 2.425 2.246 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 18 VAL HA 1 21 ALA H 4.060 . 4.060 3.288 3.084 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 18 VAL HA 1 22 GLN H 4.170 . 4.170 3.831 3.679 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 18 VAL HA 1 47 VAL HA 5.500 . 5.500 4.498 4.087 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 18 VAL HA 1 47 VAL H 4.430 . 4.430 4.041 3.712 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 18 VAL HB 1 47 VAL H 4.800 . 4.800 4.181 3.721 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 18 VAL QG 1 19 ASP HA 4.370 . 4.370 3.116 3.063 3.214 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 18 VAL QG 1 19 ASP H 4.010 . 4.010 2.154 2.015 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 18 VAL QG 1 22 GLN QE 4.630 . 4.630 3.004 1.810 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 18 VAL QG 1 22 GLN H 5.060 . 5.060 3.711 3.563 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 18 VAL QG 1 35 GLN HA 5.920 . 5.920 3.855 3.533 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 18 VAL QG 1 35 GLN QE 3.520 . 3.520 2.109 1.870 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 18 VAL MG1 1 19 ASP H 4.940 . 4.940 2.173 2.030 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 18 VAL MG1 1 35 GLN HE21 4.980 . 4.980 3.379 2.483 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 18 VAL MG1 1 35 GLN HE22 4.980 . 4.980 2.714 2.249 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 18 VAL MG2 1 19 ASP H 4.940 . 4.940 3.561 3.388 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 18 VAL MG2 1 35 GLN HE21 4.980 . 4.980 2.390 2.086 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 18 VAL MG2 1 35 GLN HE22 4.980 . 4.980 2.833 2.495 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 18 VAL H 1 18 VAL HB 3.010 . 3.010 2.633 2.544 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 18 VAL H 1 18 VAL QG 3.830 . 3.830 2.094 2.050 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 18 VAL H 1 21 ALA H 4.640 . 4.640 4.627 4.556 4.675 0.035 4 0 "[ . 1 . 2 . 3]" 1
233 1 18 VAL H 1 47 VAL HB 4.690 . 4.690 3.741 3.338 4.753 0.063 27 0 "[ . 1 . 2 . 3]" 1
234 1 18 VAL H 1 47 VAL H 4.600 . 4.600 3.751 3.392 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 19 ASP HA 1 20 VAL H 3.650 . 3.650 3.493 3.467 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 19 ASP HA 1 21 ALA H 4.740 . 4.740 4.579 4.428 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 19 ASP HA 1 22 GLN QE 4.530 . 4.530 2.415 2.062 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 19 ASP HA 1 22 GLN H 3.780 . 3.780 3.559 3.339 3.835 0.055 8 0 "[ . 1 . 2 . 3]" 1
239 1 19 ASP HA 1 23 LYS H 4.690 . 4.690 3.990 3.734 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 19 ASP HA 1 35 GLN QE 4.720 . 4.720 4.177 3.591 4.739 0.019 27 0 "[ . 1 . 2 . 3]" 1
241 1 19 ASP QB 1 20 VAL HA 4.920 . 4.920 4.198 3.890 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 19 ASP QB 1 20 VAL H 4.540 . 4.540 2.619 2.468 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 19 ASP QB 1 21 ALA H 5.890 . 5.890 4.814 4.655 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 19 ASP QB 1 22 GLN H 6.220 . 6.220 5.058 4.942 5.250 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 19 ASP H 1 19 ASP HA 2.880 . 2.880 2.806 2.730 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 19 ASP H 1 19 ASP QB 3.640 . 3.640 2.258 2.087 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 19 ASP H 1 19 ASP HB3 3.230 . 3.230 2.551 2.107 3.404 0.174 28 0 "[ . 1 . 2 . 3]" 1
248 1 19 ASP H 1 19 ASP HB2 3.230 . 3.230 2.586 2.170 3.388 0.158 13 0 "[ . 1 . 2 . 3]" 1
249 1 19 ASP H 1 20 VAL HA 5.250 . 5.250 5.274 5.232 5.310 0.060 1 0 "[ . 1 . 2 . 3]" 1
250 1 19 ASP H 1 20 VAL H 3.490 . 3.490 2.607 2.564 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 19 ASP H 1 21 ALA H 4.180 . 4.180 4.138 4.005 4.207 0.027 10 0 "[ . 1 . 2 . 3]" 1
252 1 19 ASP H 1 22 GLN H 4.720 . 4.720 4.676 4.608 4.763 0.043 8 0 "[ . 1 . 2 . 3]" 1
253 1 20 VAL HA 1 22 GLN H 4.700 . 4.700 4.416 4.262 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 20 VAL HA 1 23 LYS QB 4.550 . 4.550 3.281 2.393 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 20 VAL HA 1 23 LYS QG 4.270 . 4.270 2.645 1.937 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 20 VAL HA 1 23 LYS HG3 4.080 . 4.080 3.213 1.976 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 20 VAL HA 1 23 LYS HG2 4.080 . 4.080 3.009 1.959 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 20 VAL HA 1 23 LYS H 3.690 . 3.690 3.472 3.204 3.693 0.003 8 0 "[ . 1 . 2 . 3]" 1
259 1 20 VAL HA 1 24 ASN HA 5.500 . 5.500 5.636 5.576 5.669 0.169 26 0 "[ . 1 . 2 . 3]" 1
260 1 20 VAL HA 1 24 ASN QB 5.340 . 5.340 4.708 4.082 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 20 VAL HA 1 24 ASN H 3.960 . 3.960 3.766 3.659 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 20 VAL HB 1 21 ALA H 3.410 . 3.410 2.611 2.432 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 20 VAL QG 1 21 ALA H 5.530 . 5.530 3.207 3.123 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 20 VAL MG1 1 21 ALA H 5.130 . 5.130 3.442 3.312 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 20 VAL MG2 1 21 ALA H 5.130 . 5.130 3.832 3.702 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 20 VAL H 1 20 VAL HB 3.410 . 3.410 2.509 2.422 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 20 VAL H 1 21 ALA HA 5.140 . 5.140 5.159 5.087 5.192 0.052 30 0 "[ . 1 . 2 . 3]" 1
268 1 20 VAL H 1 21 ALA H 3.420 . 3.420 2.584 2.500 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 20 VAL H 1 22 GLN H 4.180 . 4.180 4.033 3.941 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 20 VAL H 1 23 LYS H 4.970 . 4.970 4.668 4.530 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 21 ALA HA 1 23 LYS H 4.760 . 4.760 4.614 4.490 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 21 ALA HA 1 24 ASN QB 3.910 . 3.910 2.455 1.990 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 21 ALA HA 1 24 ASN HD21 4.440 . 4.440 3.215 2.712 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 21 ALA HA 1 24 ASN HD22 4.440 . 4.440 4.436 3.989 4.609 0.169 5 0 "[ . 1 . 2 . 3]" 1
275 1 21 ALA HA 1 24 ASN H 3.620 . 3.620 3.539 3.266 3.663 0.043 14 0 "[ . 1 . 2 . 3]" 1
276 1 21 ALA HA 1 25 LEU H 4.290 . 4.290 3.952 3.783 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 21 ALA MB 1 22 GLN HA 5.350 . 5.350 3.781 3.691 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 21 ALA MB 1 22 GLN H 4.270 . 4.270 2.442 2.351 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 21 ALA MB 1 47 VAL H 5.610 . 5.610 4.475 4.142 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 21 ALA H 1 22 GLN QB 4.680 . 4.680 4.729 4.693 4.774 0.094 21 0 "[ . 1 . 2 . 3]" 1
281 1 21 ALA H 1 22 GLN H 3.480 . 3.480 2.737 2.658 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 21 ALA H 1 23 LYS H 4.310 . 4.310 4.268 4.085 4.353 0.043 14 0 "[ . 1 . 2 . 3]" 1
283 1 21 ALA H 1 47 VAL HB 5.500 . 5.500 4.990 4.354 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 22 GLN HA 1 22 GLN QG 3.580 . 3.580 2.428 2.359 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 22 GLN HA 1 24 ASN H 4.370 . 4.370 4.393 4.284 4.435 0.065 3 0 "[ . 1 . 2 . 3]" 1
286 1 22 GLN HA 1 25 LEU H 4.140 . 4.140 3.605 3.446 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 22 GLN HA 1 26 ASN H 4.390 . 4.390 4.049 3.875 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 22 GLN HA 1 33 PHE QE 6.250 . 6.250 4.591 2.958 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 22 GLN QB 1 22 GLN QE 3.510 . 3.510 1.871 1.776 3.446 0.024 4 0 "[ . 1 . 2 . 3]" 1
290 1 22 GLN QB 1 23 LYS H 3.570 . 3.570 2.474 2.351 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 22 GLN QB 1 33 PHE QB 3.580 . 3.580 3.518 3.126 3.617 0.037 30 0 "[ . 1 . 2 . 3]" 1
292 1 22 GLN QB 1 33 PHE QD 5.360 . 5.360 3.160 2.951 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 22 GLN QB 1 33 PHE HZ 3.610 . 3.610 3.388 3.184 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 22 GLN HB3 1 22 GLN HE21 4.510 . 4.510 2.694 2.506 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 22 GLN HB3 1 22 GLN HE22 4.510 . 4.510 3.821 3.712 4.576 0.066 30 0 "[ . 1 . 2 . 3]" 1
296 1 22 GLN HB3 1 33 PHE HZ 4.480 . 4.480 3.504 3.245 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 22 GLN HB2 1 22 GLN HE21 4.510 . 4.510 1.939 1.813 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 22 GLN HB2 1 22 GLN HE22 4.510 . 4.510 3.524 3.443 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 22 GLN HB2 1 33 PHE HZ 4.480 . 4.480 4.510 4.486 4.619 0.139 21 0 "[ . 1 . 2 . 3]" 1
300 1 22 GLN QE 1 33 PHE QB 4.630 . 4.630 4.546 3.555 4.695 0.065 4 0 "[ . 1 . 2 . 3]" 1
301 1 22 GLN QE 1 33 PHE QD 6.460 . 6.460 3.458 3.145 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 GLN QE 1 35 GLN QE 3.920 . 3.920 2.497 2.004 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 22 GLN QE 1 66 LEU QD 6.190 . 6.190 4.202 2.949 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 GLN HE21 1 66 LEU QD 7.010 . 7.010 4.611 3.038 5.117 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 22 GLN HE22 1 66 LEU QD 7.010 . 7.010 4.860 3.993 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 22 GLN QG 1 23 LYS H 4.610 . 4.610 4.061 3.970 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 22 GLN QG 1 64 ILE MD 6.300 . 6.300 5.936 5.190 6.355 0.055 7 0 "[ . 1 . 2 . 3]" 1
308 1 22 GLN QG 1 66 LEU QD 4.860 . 4.860 2.072 1.775 2.518 0.025 2 0 "[ . 1 . 2 . 3]" 1
309 1 22 GLN H 1 22 GLN QB 2.970 . 2.970 2.412 2.349 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 22 GLN H 1 22 GLN HB3 3.600 . 3.600 3.596 3.570 3.614 0.014 22 0 "[ . 1 . 2 . 3]" 1
311 1 22 GLN H 1 22 GLN HB2 3.600 . 3.600 2.450 2.381 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 GLN H 1 22 GLN QE 4.340 . 4.340 3.819 3.670 4.344 0.004 30 0 "[ . 1 . 2 . 3]" 1
313 1 22 GLN H 1 22 GLN QG 3.410 . 3.410 2.241 2.147 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 22 GLN H 1 23 LYS HA 5.230 . 5.230 5.247 5.216 5.275 0.045 9 0 "[ . 1 . 2 . 3]" 1
315 1 22 GLN H 1 23 LYS H 3.380 . 3.380 2.688 2.640 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 GLN H 1 24 ASN QB 4.830 . 4.830 4.718 4.095 4.873 0.043 25 0 "[ . 1 . 2 . 3]" 1
317 1 22 GLN H 1 24 ASN H 4.440 . 4.440 3.992 3.818 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 22 GLN H 1 33 PHE QD 7.620 . 7.620 5.893 5.726 6.089 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 23 LYS HA 1 24 ASN HA 4.990 . 4.990 4.710 4.600 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 23 LYS HA 1 24 ASN H 3.630 . 3.630 3.475 3.408 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 23 LYS HA 1 25 LEU H 4.350 . 4.350 4.398 4.265 4.490 0.140 9 0 "[ . 1 . 2 . 3]" 1
322 1 23 LYS HA 1 26 ASN HB3 3.670 . 3.670 2.761 2.319 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 LYS HA 1 26 ASN HB2 3.670 . 3.670 2.882 2.294 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 LYS HA 1 26 ASN H 3.790 . 3.790 3.361 2.910 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 23 LYS HA 1 27 VAL H 4.620 . 4.620 4.134 3.818 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 LYS QB 1 24 ASN H 4.790 . 4.790 3.022 2.363 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 23 LYS HB3 1 24 ASN H 4.720 . 4.720 3.839 3.443 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 23 LYS HB2 1 24 ASN H 4.720 . 4.720 3.219 2.399 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 23 LYS QG 1 24 ASN H 5.540 . 5.540 3.365 2.200 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 23 LYS H 1 23 LYS QB 3.550 . 3.550 2.557 2.313 2.889 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 23 LYS H 1 23 LYS QG 3.870 . 3.870 2.290 2.078 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 23 LYS H 1 23 LYS HG3 3.760 . 3.760 3.432 2.172 3.788 0.028 22 0 "[ . 1 . 2 . 3]" 1
333 1 23 LYS H 1 23 LYS HG2 3.760 . 3.760 2.514 2.113 3.771 0.011 21 0 "[ . 1 . 2 . 3]" 1
334 1 23 LYS H 1 24 ASN HA 5.220 . 5.220 5.123 5.043 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 23 LYS H 1 24 ASN QB 4.520 . 4.520 4.418 3.898 4.545 0.025 18 0 "[ . 1 . 2 . 3]" 1
336 1 23 LYS H 1 24 ASN H 3.280 . 3.280 2.588 2.423 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 23 LYS H 1 25 LEU H 4.310 . 4.310 4.189 4.032 4.353 0.043 2 0 "[ . 1 . 2 . 3]" 1
338 1 23 LYS H 1 26 ASN QB 4.620 . 4.620 4.528 4.215 4.683 0.063 7 0 "[ . 1 . 2 . 3]" 1
339 1 23 LYS H 1 33 PHE QE 7.480 . 7.480 5.227 5.017 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 24 ASN HA 1 24 ASN HD21 4.750 . 4.750 4.156 2.332 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 24 ASN HA 1 24 ASN HD22 4.750 . 4.750 4.456 3.583 4.803 0.053 4 0 "[ . 1 . 2 . 3]" 1
342 1 24 ASN HA 1 26 ASN H 4.420 . 4.420 4.426 4.352 4.483 0.063 4 0 "[ . 1 . 2 . 3]" 1
343 1 24 ASN HA 1 27 VAL HB 3.500 . 3.500 3.394 2.916 3.574 0.074 20 0 "[ . 1 . 2 . 3]" 1
344 1 24 ASN HA 1 27 VAL QG 5.010 . 5.010 2.757 2.162 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 24 ASN HA 1 27 VAL MG1 5.200 . 5.200 4.370 2.167 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 24 ASN HA 1 27 VAL MG2 5.200 . 5.200 2.935 2.254 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 24 ASN HA 1 27 VAL H 3.800 . 3.800 3.612 3.396 3.854 0.054 5 0 "[ . 1 . 2 . 3]" 1
348 1 24 ASN HA 1 28 TYR QD 7.280 . 7.280 4.682 3.837 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 24 ASN HA 1 28 TYR QE 7.630 . 7.630 4.382 3.856 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 24 ASN QB 1 25 LEU HA 3.950 . 3.950 3.778 3.596 4.009 0.059 5 0 "[ . 1 . 2 . 3]" 1
351 1 24 ASN QB 1 25 LEU H 3.610 . 3.610 2.483 2.149 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 24 ASN QB 1 28 TYR QD 7.080 . 7.080 4.296 3.602 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 24 ASN QB 1 28 TYR QE 7.320 . 7.320 3.979 2.825 6.391 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 24 ASN HB3 1 25 LEU H 4.250 . 4.250 3.119 2.165 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 24 ASN HB2 1 25 LEU H 4.250 . 4.250 2.805 2.437 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 24 ASN H 1 24 ASN QB 3.060 . 3.060 2.254 2.070 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 24 ASN H 1 24 ASN HB3 3.530 . 3.530 3.362 2.267 3.580 0.050 25 0 "[ . 1 . 2 . 3]" 1
358 1 24 ASN H 1 24 ASN HB2 3.530 . 3.530 2.325 2.239 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 24 ASN H 1 24 ASN QD 4.600 . 4.600 3.843 2.415 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 24 ASN H 1 25 LEU H 3.640 . 3.640 2.636 2.495 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 24 ASN H 1 26 ASN H 4.200 . 4.200 3.982 3.816 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 24 ASN H 1 27 VAL H 4.750 . 4.750 4.751 4.615 4.804 0.054 26 0 "[ . 1 . 2 . 3]" 1
363 1 25 LEU HA 1 27 VAL H 4.710 . 4.710 4.209 3.929 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 25 LEU HA 1 28 TYR H 4.020 . 4.020 3.557 3.113 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 25 LEU HA 1 64 ILE MD 6.530 . 6.530 5.412 4.694 6.110 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 25 LEU QB 1 26 ASN H 3.780 . 3.780 3.051 2.303 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 25 LEU QB 1 64 ILE MD 5.450 . 5.450 3.626 2.669 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 25 LEU HB3 1 26 ASN H 4.560 . 4.560 3.378 2.326 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 25 LEU HB2 1 26 ASN H 4.560 . 4.560 3.784 2.956 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 25 LEU QD 1 26 ASN HA 6.650 . 6.650 3.042 2.597 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 25 LEU QD 1 26 ASN QD 6.730 . 6.730 3.493 2.634 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 25 LEU QD 1 28 TYR H 6.700 . 6.700 4.432 3.581 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 25 LEU QD 1 29 GLY QA 5.310 . 5.310 3.253 2.157 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 25 LEU QD 1 29 GLY H 6.310 . 6.310 4.380 3.556 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 25 LEU QD 1 30 PHE H 6.110 . 6.110 4.198 3.652 5.483 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 25 LEU QD 1 31 THR H 6.230 . 6.230 3.795 3.284 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 25 LEU QD 1 33 PHE QE 7.530 . 7.530 4.190 2.147 5.933 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 LEU QD 1 64 ILE MD 6.290 . 6.290 2.043 1.758 2.509 0.042 26 0 "[ . 1 . 2 . 3]" 1
379 1 25 LEU MD1 1 26 ASN H 5.000 . 5.000 3.004 2.183 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 25 LEU MD1 1 64 ILE MD 5.890 . 5.890 2.151 1.918 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 25 LEU MD2 1 26 ASN H 5.000 . 5.000 4.417 3.937 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 25 LEU MD2 1 64 ILE MD 5.890 . 5.890 2.784 1.890 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 25 LEU H 1 25 LEU QB 3.410 . 3.410 2.445 2.085 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 25 LEU H 1 25 LEU HB3 3.980 . 3.980 2.724 2.297 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 25 LEU H 1 25 LEU HB2 3.980 . 3.980 3.021 2.145 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 25 LEU H 1 26 ASN HA 5.240 . 5.240 5.146 5.081 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 25 LEU H 1 26 ASN QB 4.280 . 4.280 4.206 4.099 4.311 0.031 7 0 "[ . 1 . 2 . 3]" 1
388 1 25 LEU H 1 26 ASN H 3.710 . 3.710 2.557 2.464 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 25 LEU H 1 33 PHE QE 6.920 . 6.920 6.134 4.846 6.559 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 26 ASN HA 1 26 ASN QD 2.750 . 2.750 1.890 1.749 2.308 0.051 26 0 "[ . 1 . 2 . 3]" 1
391 1 26 ASN HA 1 26 ASN HD21 3.200 . 3.200 1.906 1.756 2.352 0.044 26 0 "[ . 1 . 2 . 3]" 1
392 1 26 ASN HA 1 26 ASN HD22 3.200 . 3.200 3.267 3.216 3.342 0.142 21 0 "[ . 1 . 2 . 3]" 1
393 1 26 ASN HA 1 28 TYR H 4.510 . 4.510 4.046 3.790 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 26 ASN HA 1 29 GLY QA 4.270 . 4.270 3.261 2.856 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 26 ASN HA 1 29 GLY H 3.590 . 3.590 3.233 2.936 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 26 ASN HA 1 30 PHE HA 4.370 . 4.370 3.274 2.918 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 26 ASN HA 1 30 PHE QD 7.030 . 7.030 4.973 4.465 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 26 ASN HA 1 30 PHE H 3.760 . 3.760 2.106 1.916 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 26 ASN HA 1 31 THR MG 5.040 . 5.040 4.741 4.226 5.073 0.033 26 0 "[ . 1 . 2 . 3]" 1
400 1 26 ASN HA 1 33 PHE QE 6.110 . 6.110 4.178 3.509 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 26 ASN QB 1 27 VAL H 3.510 . 3.510 2.670 2.527 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 26 ASN QB 1 29 GLY H 4.860 . 4.860 4.731 4.509 4.876 0.016 6 0 "[ . 1 . 2 . 3]" 1
403 1 26 ASN QB 1 30 PHE H 4.530 . 4.530 3.984 3.747 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 ASN QB 1 33 PHE QE 5.720 . 5.720 2.357 2.018 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 26 ASN HB3 1 27 VAL H 4.030 . 4.030 2.735 2.571 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 26 ASN HB2 1 27 VAL H 4.030 . 4.030 3.734 3.607 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 26 ASN QD 1 29 GLY QA 4.090 . 4.090 4.154 3.992 4.213 0.123 10 0 "[ . 1 . 2 . 3]" 1
408 1 26 ASN QD 1 29 GLY H 4.700 . 4.700 4.575 4.412 4.768 0.068 2 0 "[ . 1 . 2 . 3]" 1
409 1 26 ASN QD 1 30 PHE QB 5.180 . 5.180 3.886 3.662 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 26 ASN QD 1 30 PHE H 4.410 . 4.410 2.847 2.648 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 26 ASN QD 1 31 THR MG 4.670 . 4.670 4.432 3.885 4.702 0.032 26 0 "[ . 1 . 2 . 3]" 1
412 1 26 ASN H 1 26 ASN QB 3.130 . 3.130 2.119 2.082 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 26 ASN H 1 26 ASN HB3 3.770 . 3.770 2.756 2.642 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 26 ASN H 1 26 ASN HB2 3.770 . 3.770 2.204 2.162 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 26 ASN H 1 26 ASN QD 3.750 . 3.750 3.826 3.766 3.869 0.119 26 0 "[ . 1 . 2 . 3]" 1
416 1 26 ASN H 1 27 VAL HA 5.300 . 5.300 5.264 5.166 5.324 0.024 19 0 "[ . 1 . 2 . 3]" 1
417 1 26 ASN H 1 27 VAL QG 6.970 . 6.970 4.063 3.964 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 26 ASN H 1 27 VAL H 3.770 . 3.770 2.687 2.615 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 26 ASN H 1 28 TYR H 4.340 . 4.340 4.208 4.041 4.364 0.024 29 0 "[ . 1 . 2 . 3]" 1
420 1 26 ASN H 1 29 GLY QA 5.170 . 5.170 5.021 4.730 5.216 0.046 8 0 "[ . 1 . 2 . 3]" 1
421 1 26 ASN H 1 29 GLY H 5.040 . 5.040 4.829 4.538 5.052 0.012 6 0 "[ . 1 . 2 . 3]" 1
422 1 26 ASN H 1 30 PHE H 4.600 . 4.600 4.689 4.623 4.781 0.181 28 0 "[ . 1 . 2 . 3]" 1
423 1 26 ASN H 1 33 PHE QE 5.810 . 5.810 4.307 3.847 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 27 VAL HA 1 29 GLY H 4.280 . 4.280 3.967 3.751 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 27 VAL HB 1 28 TYR QE 7.520 . 7.520 3.738 3.085 5.621 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 27 VAL HB 1 28 TYR H 3.920 . 3.920 2.974 2.737 3.975 0.055 20 0 "[ . 1 . 2 . 3]" 1
427 1 27 VAL HB 1 29 GLY H 5.500 . 5.500 4.892 4.631 5.525 0.025 20 0 "[ . 1 . 2 . 3]" 1
428 1 27 VAL QG 1 28 TYR QD 8.060 . 8.060 3.210 2.478 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 27 VAL QG 1 28 TYR QE 7.900 . 7.900 3.203 2.719 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 27 VAL QG 1 28 TYR H 6.120 . 6.120 3.286 2.428 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 VAL QG 1 29 GLY H 7.560 . 7.560 4.377 4.060 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 VAL MG1 1 28 TYR QE 7.550 . 7.550 3.296 2.747 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 VAL MG1 1 28 TYR H 5.900 . 5.900 3.521 2.449 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 27 VAL MG2 1 28 TYR QE 7.550 . 7.550 4.444 3.867 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 27 VAL MG2 1 28 TYR H 5.900 . 5.900 3.988 3.864 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 27 VAL H 1 27 VAL HB 3.310 . 3.310 2.551 2.431 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 27 VAL H 1 27 VAL MG1 4.740 . 4.740 3.703 2.310 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 VAL H 1 27 VAL MG2 4.740 . 4.740 2.243 2.014 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 27 VAL H 1 28 TYR H 3.600 . 3.600 2.727 2.584 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 27 VAL H 1 29 GLY H 4.340 . 4.340 3.925 3.757 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 27 VAL H 1 33 PHE QE 7.460 . 7.460 5.988 5.609 6.571 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 28 TYR HA 1 29 GLY H 3.360 . 3.360 3.129 2.868 3.392 0.032 27 0 "[ . 1 . 2 . 3]" 1
443 1 28 TYR QB 1 29 GLY H 4.960 . 4.960 3.517 2.993 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 28 TYR QD 1 29 GLY H 7.220 . 7.220 4.661 4.304 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 28 TYR H 1 29 GLY QA 4.100 . 4.100 3.831 3.699 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 28 TYR H 1 29 GLY H 2.980 . 2.980 2.263 2.056 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 28 TYR H 1 30 PHE H 4.050 . 4.050 4.061 4.004 4.102 0.052 26 0 "[ . 1 . 2 . 3]" 1
448 1 29 GLY QA 1 30 PHE QB 4.720 . 4.720 4.049 3.956 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 29 GLY QA 1 30 PHE QD 6.340 . 6.340 4.002 3.619 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 29 GLY QA 1 30 PHE H 3.060 . 3.060 2.510 2.415 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 29 GLY QA 1 31 THR H 5.110 . 5.110 2.906 2.675 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 29 GLY H 1 29 GLY QA 2.570 . 2.570 2.362 2.258 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 29 GLY H 1 30 PHE QB 4.570 . 4.570 4.532 4.209 4.656 0.086 27 0 "[ . 1 . 2 . 3]" 1
454 1 29 GLY H 1 30 PHE H 3.150 . 3.150 2.204 2.111 2.319 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 29 GLY H 1 31 THR MG 5.340 . 5.340 4.867 4.479 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 30 PHE HA 1 31 THR MG 5.350 . 5.350 4.682 4.240 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 30 PHE QD 1 31 THR MG 7.490 . 7.490 5.279 4.991 5.598 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 30 PHE QD 1 31 THR H 7.280 . 7.280 4.867 4.794 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 30 PHE H 1 30 PHE QB 3.550 . 3.550 3.354 3.279 3.409 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 30 PHE H 1 30 PHE QE 6.770 . 6.770 4.801 4.666 4.934 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 30 PHE H 1 31 THR MG 5.190 . 5.190 4.046 3.637 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 30 PHE H 1 31 THR H 4.590 . 4.590 2.554 2.424 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 30 PHE H 1 33 PHE QE 7.400 . 7.400 5.800 5.233 6.572 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 31 THR MG 1 32 LYS H 5.350 . 5.350 3.348 3.155 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 31 THR H 1 32 LYS H 4.270 . 4.270 4.312 4.274 4.362 0.092 24 0 "[ . 1 . 2 . 3]" 1
466 1 31 THR H 1 64 ILE MD 6.530 . 6.530 4.430 4.095 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 32 LYS HA 1 33 PHE H 2.880 . 2.880 2.261 2.157 2.352 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 32 LYS QB 1 33 PHE H 4.260 . 4.260 2.923 2.777 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 32 LYS QB 1 63 VAL HA 5.120 . 5.120 2.391 1.994 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 32 LYS QB 1 63 VAL QG 4.940 . 4.940 2.366 1.921 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 32 LYS QB 1 64 ILE H 5.420 . 5.420 3.806 3.551 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 32 LYS HB3 1 64 ILE H 5.200 . 5.200 4.610 3.671 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 32 LYS HB2 1 64 ILE H 5.200 . 5.200 4.101 3.730 5.247 0.047 26 0 "[ . 1 . 2 . 3]" 1
474 1 32 LYS QG 1 33 PHE H 4.620 . 4.620 3.972 2.465 4.649 0.029 10 0 "[ . 1 . 2 . 3]" 1
475 1 32 LYS H 1 32 LYS QE 5.950 . 5.950 4.101 2.305 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 32 LYS H 1 32 LYS QG 5.100 . 5.100 3.382 2.504 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 32 LYS H 1 32 LYS HG3 4.950 . 4.950 3.672 2.540 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 32 LYS H 1 32 LYS HG2 4.950 . 4.950 4.155 2.623 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 32 LYS H 1 33 PHE H 4.480 . 4.480 4.438 4.390 4.481 0.001 5 0 "[ . 1 . 2 . 3]" 1
480 1 33 PHE HA 1 34 SER HA 4.870 . 4.870 4.352 4.312 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 33 PHE HA 1 34 SER QB 5.530 . 5.530 4.262 4.199 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 33 PHE HA 1 34 SER H 3.270 . 3.270 2.216 2.163 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 33 PHE HA 1 63 VAL HB 5.390 . 5.390 5.161 4.830 5.430 0.040 9 0 "[ . 1 . 2 . 3]" 1
484 1 33 PHE HA 1 63 VAL QG 4.960 . 4.960 2.648 2.354 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 33 PHE HA 1 64 ILE HB 5.150 . 5.150 2.930 2.497 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 33 PHE HA 1 64 ILE H 3.920 . 3.920 2.412 2.217 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 33 PHE HA 1 65 GLU HA 5.230 . 5.230 4.529 3.878 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 33 PHE HA 1 66 LEU H 5.290 . 5.290 5.208 5.049 5.302 0.012 12 0 "[ . 1 . 2 . 3]" 1
489 1 33 PHE QB 1 34 SER HA 4.310 . 4.310 4.012 3.797 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 33 PHE QB 1 35 GLN H 5.340 . 5.340 5.348 4.924 5.414 0.074 23 0 "[ . 1 . 2 . 3]" 1
491 1 33 PHE QB 1 64 ILE HB 3.860 . 3.860 2.961 2.612 3.875 0.015 21 0 "[ . 1 . 2 . 3]" 1
492 1 33 PHE QB 1 64 ILE MD 6.030 . 6.030 3.686 3.106 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 33 PHE HB3 1 34 SER H 3.800 . 3.800 3.665 2.922 3.811 0.011 3 0 "[ . 1 . 2 . 3]" 1
494 1 33 PHE HB2 1 34 SER H 3.800 . 3.800 2.737 2.555 3.809 0.009 21 0 "[ . 1 . 2 . 3]" 1
495 1 33 PHE QD 1 34 SER HA 6.260 . 6.260 3.617 3.286 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 33 PHE QD 1 34 SER H 6.500 . 6.500 3.985 3.813 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 33 PHE QD 1 35 GLN H 7.620 . 7.620 5.043 4.652 6.939 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 33 PHE QD 1 64 ILE HB 5.970 . 5.970 4.680 2.329 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 33 PHE QD 1 64 ILE MD 6.830 . 6.830 4.322 2.909 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 33 PHE QD 1 64 ILE H 6.920 . 6.920 5.248 3.996 5.588 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 33 PHE QD 1 66 LEU QD 7.730 . 7.730 3.508 1.939 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 33 PHE H 1 33 PHE HB3 3.790 . 3.790 3.449 3.349 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 33 PHE H 1 33 PHE HB2 3.790 . 3.790 3.719 2.705 3.820 0.030 17 0 "[ . 1 . 2 . 3]" 1
504 1 33 PHE H 1 33 PHE QD 5.610 . 5.610 3.209 3.022 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 33 PHE H 1 33 PHE QE 6.360 . 6.360 4.354 4.192 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 33 PHE H 1 34 SER HA 4.780 . 4.780 4.818 4.775 4.849 0.069 28 0 "[ . 1 . 2 . 3]" 1
507 1 33 PHE H 1 34 SER H 4.510 . 4.510 4.357 4.321 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 33 PHE H 1 63 VAL HA 5.500 . 5.500 4.704 4.363 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 33 PHE H 1 63 VAL QG 4.890 . 4.890 3.286 3.080 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 34 SER HA 1 35 GLN H 2.490 . 2.490 2.348 2.268 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 34 SER QB 1 35 GLN H 3.770 . 3.770 2.731 2.547 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 34 SER H 1 34 SER HB3 4.100 . 4.100 3.645 3.174 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 34 SER H 1 34 SER HB2 4.100 . 4.100 3.075 2.636 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 34 SER H 1 35 GLN HA 4.990 . 4.990 4.470 4.336 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 34 SER H 1 63 VAL QG 4.450 . 4.450 2.988 2.630 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 34 SER H 1 63 VAL MG1 5.060 . 5.060 4.939 2.899 5.123 0.063 23 0 "[ . 1 . 2 . 3]" 1
517 1 34 SER H 1 63 VAL MG2 5.060 . 5.060 3.084 2.645 5.078 0.018 9 0 "[ . 1 . 2 . 3]" 1
518 1 34 SER H 1 64 ILE H 4.620 . 4.620 3.926 3.707 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 34 SER H 1 65 GLU HA 3.760 . 3.760 2.908 2.315 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 34 SER H 1 65 GLU QB 5.940 . 5.940 4.584 3.670 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 34 SER H 1 66 LEU QB 4.320 . 4.320 4.364 4.207 4.415 0.095 22 0 "[ . 1 . 2 . 3]" 1
522 1 34 SER H 1 66 LEU H 4.090 . 4.090 3.403 3.271 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 35 GLN HA 1 35 GLN QE 4.410 . 4.410 4.198 4.100 4.562 0.152 9 0 "[ . 1 . 2 . 3]" 1
524 1 35 GLN HA 1 36 ALA HA 4.540 . 4.540 4.396 4.344 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 35 GLN HA 1 36 ALA MB 5.220 . 5.220 3.915 3.857 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 35 GLN HA 1 36 ALA H 2.850 . 2.850 2.150 2.068 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 35 GLN HA 1 66 LEU QB 3.990 . 3.990 2.565 2.187 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 35 GLN HA 1 66 LEU HB3 4.740 . 4.740 3.919 3.565 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 35 GLN HA 1 66 LEU HB2 4.740 . 4.740 2.602 2.205 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 35 GLN HA 1 66 LEU H 4.010 . 4.010 2.605 2.281 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 35 GLN HA 1 67 GLN HA 5.050 . 5.050 4.574 4.259 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 35 GLN HA 1 67 GLN H 5.500 . 5.500 5.252 5.113 5.491 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 35 GLN HA 1 68 VAL H 4.920 . 4.920 4.826 4.649 4.959 0.039 5 0 "[ . 1 . 2 . 3]" 1
534 1 35 GLN QB 1 35 GLN QE 3.100 . 3.100 1.872 1.780 2.455 0.020 1 0 "[ . 1 . 2 . 3]" 1
535 1 35 GLN QB 1 36 ALA H 3.550 . 3.550 3.014 2.751 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 35 GLN QB 1 68 VAL H 4.940 . 4.940 4.289 4.015 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 35 GLN QG 1 36 ALA H 5.510 . 5.510 4.051 3.816 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 35 GLN H 1 35 GLN QB 3.150 . 3.150 2.970 2.892 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 35 GLN H 1 35 GLN HB3 3.860 . 3.860 3.110 3.010 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 35 GLN H 1 35 GLN HB2 3.860 . 3.860 3.770 3.591 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 35 GLN H 1 35 GLN QE 4.440 . 4.440 4.209 3.757 4.546 0.106 11 0 "[ . 1 . 2 . 3]" 1
542 1 35 GLN H 1 35 GLN QG 4.140 . 4.140 2.166 1.884 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 35 GLN H 1 35 GLN HG3 3.720 . 3.720 3.174 2.658 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 35 GLN H 1 35 GLN HG2 3.720 . 3.720 2.205 1.927 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 35 GLN H 1 66 LEU H 5.080 . 5.080 4.640 4.439 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 36 ALA HA 1 37 SER QB 5.070 . 5.070 4.384 4.043 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 36 ALA HA 1 37 SER H 2.400 . 2.400 2.213 2.126 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 36 ALA MB 1 37 SER HA 5.620 . 5.620 4.206 4.018 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 36 ALA MB 1 37 SER H 4.330 . 4.330 3.050 2.757 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 36 ALA MB 1 38 VAL H 6.240 . 6.240 5.046 4.700 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 36 ALA MB 1 68 VAL H 5.190 . 5.190 3.873 3.464 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 36 ALA H 1 66 LEU QB 5.310 . 5.310 3.839 3.520 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 36 ALA H 1 66 LEU H 4.350 . 4.350 3.780 3.461 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 36 ALA H 1 67 GLN HA 4.750 . 4.750 3.021 2.711 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 36 ALA H 1 67 GLN H 5.150 . 5.150 4.796 4.618 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 36 ALA H 1 68 VAL HB 5.500 . 5.500 4.575 4.170 5.091 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 36 ALA H 1 68 VAL QG 6.260 . 6.260 2.834 2.491 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 36 ALA H 1 68 VAL H 3.480 . 3.480 3.272 2.967 3.489 0.009 21 0 "[ . 1 . 2 . 3]" 1
559 1 37 SER HA 1 38 VAL HA 4.430 . 4.430 4.374 4.169 4.439 0.009 24 0 "[ . 1 . 2 . 3]" 1
560 1 37 SER HA 1 38 VAL HB 5.120 . 5.120 4.491 4.336 5.302 0.182 19 0 "[ . 1 . 2 . 3]" 1
561 1 37 SER HA 1 38 VAL QG 5.590 . 5.590 3.504 3.000 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 37 SER HA 1 38 VAL H 2.890 . 2.890 2.104 1.882 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 37 SER HA 1 68 VAL HB 3.700 . 3.700 2.261 1.914 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 37 SER HA 1 68 VAL H 3.870 . 3.870 2.682 2.227 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 37 SER QB 1 38 VAL H 4.670 . 4.670 3.087 2.841 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 37 SER H 1 37 SER QB 3.730 . 3.730 2.591 2.364 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 37 SER H 1 38 VAL H 4.500 . 4.500 4.418 4.254 4.504 0.004 24 0 "[ . 1 . 2 . 3]" 1
568 1 37 SER H 1 68 VAL H 5.150 . 5.150 4.571 4.406 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 38 VAL HA 1 39 ASP H 3.060 . 3.060 2.334 2.243 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 38 VAL HB 1 39 ASP H 3.910 . 3.910 3.903 2.689 3.989 0.079 28 0 "[ . 1 . 2 . 3]" 1
571 1 38 VAL QG 1 39 ASP QB 7.650 . 7.650 3.872 3.113 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 38 VAL QG 1 39 ASP H 5.660 . 5.660 2.200 1.987 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 38 VAL QG 1 67 GLN HA 6.130 . 6.130 3.895 3.191 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 38 VAL QG 1 68 VAL H 6.020 . 6.020 3.660 3.161 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 38 VAL MG1 1 39 ASP H 5.210 . 5.210 3.412 2.194 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 38 VAL MG2 1 39 ASP H 5.210 . 5.210 2.530 2.000 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 38 VAL H 1 39 ASP H 4.470 . 4.470 4.371 4.309 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 38 VAL H 1 67 GLN HA 5.500 . 5.500 4.957 4.526 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 38 VAL H 1 68 VAL HB 4.260 . 4.260 3.823 3.553 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 38 VAL H 1 68 VAL H 4.290 . 4.290 3.709 3.349 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 38 VAL H 1 69 SER HA 3.710 . 3.710 3.059 2.615 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 38 VAL H 1 70 LYS QG 3.630 . 3.630 3.589 3.295 3.692 0.062 17 0 "[ . 1 . 2 . 3]" 1
583 1 39 ASP HA 1 40 SER QB 5.690 . 5.690 4.198 4.011 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 39 ASP HA 1 40 SER H 3.200 . 3.200 2.133 2.062 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 39 ASP HA 1 70 LYS HA 5.460 . 5.460 4.813 4.567 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 39 ASP HA 1 70 LYS QG 3.740 . 3.740 1.988 1.812 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 39 ASP HA 1 72 ASN H 4.860 . 4.860 4.469 3.972 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 39 ASP QB 1 40 SER H 4.470 . 4.470 3.038 2.827 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 39 ASP QB 1 70 LYS QG 5.110 . 5.110 2.754 2.119 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 39 ASP QB 1 72 ASN QD 5.520 . 5.520 2.421 1.759 4.060 0.041 6 0 "[ . 1 . 2 . 3]" 1
591 1 39 ASP H 1 39 ASP HB3 3.630 . 3.630 2.779 2.351 3.662 0.032 3 0 "[ . 1 . 2 . 3]" 1
592 1 39 ASP H 1 39 ASP HB2 3.630 . 3.630 3.463 2.553 3.719 0.089 7 0 "[ . 1 . 2 . 3]" 1
593 1 39 ASP H 1 40 SER H 4.630 . 4.630 4.530 4.450 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 40 SER HA 1 41 PRO HA 4.700 . 4.700 4.489 4.429 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 40 SER HA 1 42 ARG H 4.370 . 4.370 4.106 3.987 4.370 0.000 10 0 "[ . 1 . 2 . 3]" 1
596 1 40 SER QB 1 42 ARG H 4.650 . 4.650 2.522 2.275 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 40 SER HB3 1 42 ARG H 4.350 . 4.350 2.808 2.378 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 40 SER HB2 1 42 ARG H 4.350 . 4.350 2.892 2.598 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 40 SER H 1 40 SER HB3 4.140 . 4.140 3.913 3.821 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 40 SER H 1 40 SER HB2 4.140 . 4.140 2.907 2.744 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 40 SER H 1 41 PRO HA 4.950 . 4.950 4.735 4.451 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 40 SER H 1 70 LYS HA 5.010 . 5.010 4.949 4.698 5.098 0.088 19 0 "[ . 1 . 2 . 3]" 1
603 1 40 SER H 1 70 LYS QD 5.590 . 5.590 5.089 4.679 5.619 0.029 18 0 "[ . 1 . 2 . 3]" 1
604 1 40 SER H 1 70 LYS QG 3.770 . 3.770 3.315 2.955 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 40 SER H 1 71 GLY QA 4.180 . 4.180 3.700 3.185 4.214 0.034 5 0 "[ . 1 . 2 . 3]" 1
606 1 40 SER H 1 71 GLY H 5.430 . 5.430 4.953 4.653 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 40 SER H 1 72 ASN QB 4.570 . 4.570 3.209 2.442 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 40 SER H 1 72 ASN QD 6.140 . 6.140 4.634 3.482 5.632 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 40 SER H 1 72 ASN H 4.510 . 4.510 4.402 3.917 4.633 0.123 12 0 "[ . 1 . 2 . 3]" 1
610 1 42 ARG HA 1 43 PRO QD 3.060 . 3.060 2.039 1.875 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 42 ARG QD 1 48 THR MG 5.730 . 5.730 3.212 2.159 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 42 ARG HD3 1 48 THR MG 5.460 . 5.460 3.564 2.191 5.512 0.052 10 0 "[ . 1 . 2 . 3]" 1
613 1 42 ARG HD2 1 48 THR MG 5.460 . 5.460 3.962 2.323 5.542 0.082 10 0 "[ . 1 . 2 . 3]" 1
614 1 42 ARG QG 1 43 PRO QD 4.150 . 4.150 3.411 2.826 4.169 0.019 28 0 "[ . 1 . 2 . 3]" 1
615 1 42 ARG H 1 42 ARG QD 4.670 . 4.670 2.667 1.902 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 42 ARG H 1 42 ARG HD3 4.400 . 4.400 3.371 1.909 4.516 0.116 11 0 "[ . 1 . 2 . 3]" 1
617 1 42 ARG H 1 42 ARG HD2 4.400 . 4.400 3.263 1.927 4.503 0.103 5 0 "[ . 1 . 2 . 3]" 1
618 1 42 ARG H 1 42 ARG HE 4.440 . 4.440 4.047 2.739 4.615 0.175 6 0 "[ . 1 . 2 . 3]" 1
619 1 42 ARG H 1 42 ARG QG 4.660 . 4.660 2.925 1.880 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 42 ARG H 1 42 ARG HG3 4.390 . 4.390 3.295 1.894 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 42 ARG H 1 42 ARG HG2 4.390 . 4.390 3.666 1.911 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 42 ARG H 1 48 THR MG 5.950 . 5.950 4.931 4.162 5.919 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 42 ARG H 1 69 SER HB3 4.530 . 4.530 3.659 3.057 4.553 0.023 27 0 "[ . 1 . 2 . 3]" 1
624 1 42 ARG H 1 69 SER HB2 4.530 . 4.530 4.412 3.232 4.612 0.082 5 0 "[ . 1 . 2 . 3]" 1
625 1 43 PRO HA 1 44 ALA H 2.740 . 2.740 2.186 2.114 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 43 PRO HA 1 71 GLY H 3.950 . 3.950 3.424 2.331 3.970 0.020 7 0 "[ . 1 . 2 . 3]" 1
627 1 43 PRO HA 1 72 ASN H 5.500 . 5.500 5.400 4.376 5.565 0.065 22 0 "[ . 1 . 2 . 3]" 1
628 1 43 PRO QB 1 44 ALA H 3.210 . 3.210 2.903 2.651 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 43 PRO QB 1 46 GLU H 4.510 . 4.510 4.305 3.927 4.575 0.065 10 0 "[ . 1 . 2 . 3]" 1
630 1 43 PRO HB3 1 44 ALA H 3.780 . 3.780 3.424 2.902 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 43 PRO HB2 1 44 ALA H 3.780 . 3.780 3.223 2.782 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 43 PRO QD 1 46 GLU H 4.800 . 4.800 4.789 4.524 4.847 0.047 5 0 "[ . 1 . 2 . 3]" 1
633 1 43 PRO QG 1 44 ALA H 5.790 . 5.790 4.472 4.345 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 44 ALA HA 1 45 GLY QA 5.450 . 5.450 3.827 3.769 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 44 ALA HA 1 46 GLU H 3.700 . 3.700 3.573 3.380 3.719 0.019 26 0 "[ . 1 . 2 . 3]" 1
636 1 44 ALA HA 1 68 VAL QG 6.020 . 6.020 3.466 3.031 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 44 ALA MB 1 45 GLY QA 6.410 . 6.410 3.755 3.651 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 44 ALA MB 1 45 GLY H 4.840 . 4.840 3.301 3.080 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 44 ALA MB 1 46 GLU H 5.680 . 5.680 4.692 4.485 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 44 ALA MB 1 71 GLY H 4.810 . 4.810 2.214 1.768 2.991 0.032 7 0 "[ . 1 . 2 . 3]" 1
641 1 44 ALA MB 1 72 ASN H 5.000 . 5.000 3.891 3.341 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 44 ALA H 1 70 LYS HA 4.760 . 4.760 3.624 2.997 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 44 ALA H 1 71 GLY QA 3.780 . 3.780 3.239 2.602 3.799 0.019 2 0 "[ . 1 . 2 . 3]" 1
644 1 44 ALA H 1 71 GLY H 3.630 . 3.630 2.634 2.342 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 44 ALA H 1 72 ASN H 5.500 . 5.500 4.969 4.197 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 45 GLY QA 1 68 VAL QG 6.660 . 6.660 2.692 2.417 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 45 GLY H 1 46 GLU H 3.760 . 3.760 2.151 1.928 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 45 GLY H 1 68 VAL QG 6.320 . 6.320 2.511 2.289 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 46 GLU HA 1 47 VAL HB 4.720 . 4.720 4.456 4.197 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 46 GLU HA 1 47 VAL H 3.300 . 3.300 2.111 1.985 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 46 GLU HA 1 48 THR H 5.500 . 5.500 5.577 5.510 5.644 0.144 13 0 "[ . 1 . 2 . 3]" 1
652 1 46 GLU QB 1 47 VAL H 4.190 . 4.190 3.624 3.493 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 46 GLU QB 1 48 THR H 5.340 . 5.340 4.992 4.686 5.342 0.002 13 0 "[ . 1 . 2 . 3]" 1
654 1 46 GLU QG 1 47 VAL H 3.590 . 3.590 2.514 2.256 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 46 GLU QG 1 48 THR H 4.350 . 4.350 4.180 3.501 4.401 0.051 1 0 "[ . 1 . 2 . 3]" 1
656 1 46 GLU HG3 1 47 VAL H 4.300 . 4.300 2.955 2.637 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 46 GLU HG2 1 47 VAL H 4.300 . 4.300 2.774 2.304 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 46 GLU H 1 46 GLU QB 3.100 . 3.100 2.284 2.193 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 46 GLU H 1 46 GLU HB3 3.560 . 3.560 2.505 2.364 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 46 GLU H 1 46 GLU HB2 3.560 . 3.560 2.639 2.526 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 46 GLU H 1 46 GLU QG 4.320 . 4.320 3.976 3.916 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 46 GLU H 1 47 VAL H 4.610 . 4.610 4.512 4.417 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 46 GLU H 1 48 THR MG 6.530 . 6.530 6.102 4.736 6.641 0.111 10 0 "[ . 1 . 2 . 3]" 1
664 1 46 GLU H 1 68 VAL QG 5.670 . 5.670 3.583 3.342 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 46 GLU H 1 69 SER H 4.550 . 4.550 3.983 3.660 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 47 VAL HA 1 48 THR MG 4.880 . 4.880 4.527 3.571 5.029 0.149 11 0 "[ . 1 . 2 . 3]" 1
667 1 47 VAL HA 1 48 THR H 3.460 . 3.460 1.993 1.883 2.101 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 47 VAL HA 1 49 GLY H 3.580 . 3.580 3.513 3.373 3.593 0.013 7 0 "[ . 1 . 2 . 3]" 1
669 1 47 VAL HA 1 67 GLN H 5.250 . 5.250 5.065 4.876 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 47 VAL HA 1 68 VAL HA 3.690 . 3.690 2.302 1.999 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 47 VAL HA 1 69 SER H 4.070 . 4.070 3.135 2.738 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 47 VAL HB 1 48 THR H 4.770 . 4.770 4.196 4.042 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 47 VAL HB 1 49 GLY H 4.700 . 4.700 4.539 4.259 4.711 0.011 16 0 "[ . 1 . 2 . 3]" 1
674 1 47 VAL QG 1 48 THR H 5.510 . 5.510 2.830 2.669 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 47 VAL QG 1 49 GLY QA 5.200 . 5.200 2.892 2.518 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 47 VAL QG 1 49 GLY H 5.040 . 5.040 1.932 1.774 2.161 0.026 13 0 "[ . 1 . 2 . 3]" 1
677 1 47 VAL QG 1 67 GLN H 5.700 . 5.700 2.913 2.662 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 47 VAL QG 1 69 SER H 7.560 . 7.560 4.526 4.027 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 47 VAL H 1 47 VAL HB 3.370 . 3.370 2.849 2.339 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 47 VAL H 1 48 THR H 4.620 . 4.620 4.241 4.194 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 47 VAL H 1 49 GLY H 5.500 . 5.500 5.322 5.016 5.521 0.021 16 0 "[ . 1 . 2 . 3]" 1
682 1 48 THR HA 1 48 THR HB 3.040 . 3.040 2.802 2.518 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 48 THR MG 1 49 GLY H 5.230 . 5.230 4.259 3.988 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 48 THR MG 1 68 VAL QG 7.330 . 7.330 5.318 4.512 5.771 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 48 THR MG 1 69 SER H 4.810 . 4.810 4.180 3.405 4.852 0.042 4 0 "[ . 1 . 2 . 3]" 1
686 1 48 THR H 1 48 THR MG 4.440 . 4.440 3.209 2.597 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 48 THR H 1 49 GLY H 3.350 . 3.350 2.482 2.340 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 48 THR H 1 67 GLN HA 5.500 . 5.500 5.198 4.896 5.484 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 48 THR H 1 67 GLN H 4.820 . 4.820 4.646 4.192 4.854 0.034 7 0 "[ . 1 . 2 . 3]" 1
690 1 48 THR H 1 68 VAL HA 3.430 . 3.430 3.088 2.555 3.458 0.028 19 0 "[ . 1 . 2 . 3]" 1
691 1 48 THR H 1 68 VAL QG 6.030 . 6.030 4.217 3.814 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 48 THR H 1 68 VAL MG1 5.490 . 5.490 4.733 4.238 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 48 THR H 1 68 VAL MG2 5.490 . 5.490 4.741 4.229 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 48 THR H 1 69 SER H 4.070 . 4.070 3.335 2.924 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 49 GLY QA 1 50 THR MG 4.590 . 4.590 3.443 3.305 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 49 GLY QA 1 50 THR H 2.790 . 2.790 2.211 2.101 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 49 GLY H 1 50 THR H 4.510 . 4.510 4.330 4.253 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 49 GLY H 1 66 LEU QB 5.240 . 5.240 4.888 4.485 5.275 0.035 27 0 "[ . 1 . 2 . 3]" 1
699 1 49 GLY H 1 67 GLN QB 5.050 . 5.050 3.334 2.573 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 49 GLY H 1 67 GLN HB3 4.890 . 4.890 4.121 3.050 4.901 0.011 13 0 "[ . 1 . 2 . 3]" 1
701 1 49 GLY H 1 67 GLN HB2 4.890 . 4.890 3.673 2.593 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 49 GLY H 1 67 GLN H 3.790 . 3.790 3.487 3.043 3.822 0.032 30 0 "[ . 1 . 2 . 3]" 1
703 1 50 THR HA 1 51 ASN H 3.120 . 3.120 2.374 2.268 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 50 THR HA 1 65 GLU QG 6.220 . 6.220 4.307 3.740 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 50 THR HA 1 67 GLN QE 5.200 . 5.200 3.497 2.861 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 50 THR HA 1 67 GLN H 3.830 . 3.830 2.686 2.168 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 50 THR HB 1 51 ASN QB 5.430 . 5.430 4.388 4.188 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 50 THR HB 1 51 ASN H 3.320 . 3.320 2.762 2.602 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 50 THR HB 1 65 GLU H 5.080 . 5.080 4.226 3.810 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 50 THR HB 1 67 GLN H 5.300 . 5.300 5.213 4.714 5.353 0.053 1 0 "[ . 1 . 2 . 3]" 1
711 1 50 THR MG 1 67 GLN QE 7.230 . 7.230 4.868 4.245 5.951 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 50 THR H 1 50 THR HB 3.820 . 3.820 3.555 3.459 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 50 THR H 1 50 THR MG 4.210 . 4.210 3.003 2.852 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 50 THR H 1 51 ASN H 4.550 . 4.550 4.427 4.334 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 51 ASN HA 1 51 ASN HD21 4.560 . 4.560 3.495 1.974 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 51 ASN HA 1 51 ASN HD22 4.560 . 4.560 4.250 3.566 4.672 0.112 16 0 "[ . 1 . 2 . 3]" 1
717 1 51 ASN HA 1 67 GLN HE21 4.530 . 4.530 2.915 1.973 4.548 0.018 22 0 "[ . 1 . 2 . 3]" 1
718 1 51 ASN HA 1 67 GLN HE22 4.530 . 4.530 3.320 2.679 4.556 0.026 7 0 "[ . 1 . 2 . 3]" 1
719 1 51 ASN QB 1 52 PRO QD 5.930 . 5.930 2.023 1.854 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 51 ASN QB 1 65 GLU QB 5.760 . 5.760 2.843 1.843 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 51 ASN QB 1 65 GLU H 5.450 . 5.450 3.848 3.177 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 51 ASN QB 1 67 GLN QE 4.980 . 4.980 2.000 1.767 2.611 0.033 14 0 "[ . 1 . 2 . 3]" 1
723 1 51 ASN HB3 1 67 GLN HE21 4.160 . 4.160 4.186 3.915 4.248 0.088 15 0 "[ . 1 . 2 . 3]" 1
724 1 51 ASN HB3 1 67 GLN HE22 4.160 . 4.160 3.370 2.947 4.207 0.047 7 0 "[ . 1 . 2 . 3]" 1
725 1 51 ASN HB2 1 67 GLN HE21 4.160 . 4.160 2.795 2.423 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 51 ASN HB2 1 67 GLN HE22 4.160 . 4.160 2.090 1.800 2.924 0.000 14 0 "[ . 1 . 2 . 3]" 1
727 1 51 ASN H 1 51 ASN HB3 3.570 . 3.570 2.567 2.420 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 51 ASN H 1 51 ASN HB2 3.570 . 3.570 2.727 2.518 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 51 ASN H 1 51 ASN QD 5.630 . 5.630 4.515 4.347 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 51 ASN H 1 52 PRO HD3 3.890 . 3.890 3.114 2.662 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 51 ASN H 1 52 PRO HD2 3.890 . 3.890 2.536 2.072 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 51 ASN H 1 65 GLU QB 4.950 . 4.950 3.418 2.410 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 51 ASN H 1 65 GLU HB3 4.880 . 4.880 3.830 2.425 5.063 0.183 24 0 "[ . 1 . 2 . 3]" 1
734 1 51 ASN H 1 65 GLU HB2 4.880 . 4.880 4.466 4.181 4.891 0.011 10 0 "[ . 1 . 2 . 3]" 1
735 1 51 ASN H 1 65 GLU HG3 4.200 . 4.200 3.660 2.152 4.374 0.174 5 0 "[ . 1 . 2 . 3]" 1
736 1 51 ASN H 1 65 GLU HG2 4.200 . 4.200 3.245 2.068 4.247 0.047 30 0 "[ . 1 . 2 . 3]" 1
737 1 51 ASN H 1 65 GLU H 4.330 . 4.330 3.827 3.307 4.344 0.014 10 0 "[ . 1 . 2 . 3]" 1
738 1 51 ASN H 1 67 GLN QB 5.370 . 5.370 4.605 3.651 5.373 0.003 22 0 "[ . 1 . 2 . 3]" 1
739 1 51 ASN H 1 67 GLN QE 4.440 . 4.440 2.562 1.868 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 51 ASN H 1 67 GLN HE21 4.120 . 4.120 3.251 2.625 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 51 ASN H 1 67 GLN HE22 4.120 . 4.120 2.845 1.876 4.133 0.013 28 0 "[ . 1 . 2 . 3]" 1
742 1 51 ASN H 1 67 GLN H 4.600 . 4.600 4.224 3.606 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 53 PRO HA 1 54 ALA MB 5.060 . 5.060 4.012 3.902 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 53 PRO HA 1 54 ALA H 2.950 . 2.950 2.210 2.087 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 53 PRO QB 1 54 ALA H 4.180 . 4.180 2.949 2.648 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 53 PRO QB 1 56 THR H 6.090 . 6.090 4.185 3.493 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 53 PRO HB3 1 54 ALA H 3.950 . 3.950 3.460 3.087 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 53 PRO HB2 1 54 ALA H 3.950 . 3.950 3.281 2.743 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 54 ALA HA 1 55 GLY H 3.200 . 3.200 2.182 2.116 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 54 ALA HA 1 56 THR H 3.450 . 3.450 3.217 3.031 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 54 ALA MB 1 55 GLY H 4.430 . 4.430 2.928 2.761 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 54 ALA MB 1 56 THR H 5.610 . 5.610 4.320 4.186 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 54 ALA H 1 55 GLY H 4.710 . 4.710 4.564 4.508 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 54 ALA H 1 56 THR H 4.980 . 4.980 4.665 4.333 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 55 GLY H 1 56 THR HB 4.770 . 4.770 4.649 4.400 4.814 0.044 12 0 "[ . 1 . 2 . 3]" 1
756 1 55 GLY H 1 56 THR H 3.410 . 3.410 2.454 2.281 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 56 THR HA 1 57 THR HA 5.030 . 5.030 4.357 4.305 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 56 THR HA 1 57 THR H 2.710 . 2.710 2.181 2.132 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 56 THR MG 1 57 THR H 5.230 . 5.230 2.659 2.447 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 56 THR MG 1 58 VAL H 5.810 . 5.810 4.390 4.185 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 56 THR H 1 56 THR HB 3.390 . 3.390 2.502 2.380 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 56 THR H 1 56 THR MG 4.790 . 4.790 3.706 2.298 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 56 THR H 1 57 THR HA 5.500 . 5.500 5.277 5.094 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 56 THR H 1 57 THR H 4.730 . 4.730 4.511 4.444 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 57 THR HA 1 58 VAL H 3.510 . 3.510 2.106 2.043 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 57 THR HB 1 58 VAL H 4.430 . 4.430 4.176 3.899 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 57 THR MG 1 58 VAL H 6.090 . 6.090 3.868 2.829 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 57 THR H 1 57 THR HB 2.890 . 2.890 2.739 2.489 2.891 0.001 11 0 "[ . 1 . 2 . 3]" 1
769 1 57 THR H 1 57 THR MG 3.980 . 3.980 2.204 1.868 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 58 VAL HA 1 59 PRO QB 5.050 . 5.050 4.849 4.748 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 58 VAL HA 1 59 PRO QG 4.470 . 4.470 3.997 3.856 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 58 VAL QG 1 59 PRO QD 5.870 . 5.870 2.919 2.871 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 58 VAL QG 1 59 PRO HG3 6.740 . 6.740 4.926 4.859 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 58 VAL QG 1 59 PRO HG2 6.740 . 6.740 4.604 4.086 4.872 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 58 VAL H 1 58 VAL MG1 4.710 . 4.710 2.906 2.831 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 58 VAL H 1 58 VAL MG2 4.710 . 4.710 2.186 2.140 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 58 VAL H 1 59 PRO QD 6.220 . 6.220 4.406 4.342 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 59 PRO HA 1 60 VAL QG 7.290 . 7.290 3.834 3.668 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 59 PRO QB 1 60 VAL QG 6.550 . 6.550 3.943 3.746 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 59 PRO QB 1 60 VAL H 3.820 . 3.820 3.121 3.060 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 59 PRO QB 1 61 ASP H 3.160 . 3.160 2.614 2.369 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 59 PRO QB 1 62 SER H 3.910 . 3.910 2.614 2.256 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 59 PRO QG 1 61 ASP H 4.520 . 4.520 4.501 4.018 4.589 0.069 2 0 "[ . 1 . 2 . 3]" 1
784 1 59 PRO QG 1 62 SER H 3.960 . 3.960 3.853 3.157 4.026 0.066 17 0 "[ . 1 . 2 . 3]" 1
785 1 60 VAL HA 1 62 SER H 3.950 . 3.950 3.775 3.593 3.957 0.007 5 0 "[ . 1 . 2 . 3]" 1
786 1 60 VAL QG 1 61 ASP H 5.060 . 5.060 2.592 2.420 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 60 VAL QG 1 62 SER H 6.150 . 6.150 4.137 3.973 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 60 VAL MG1 1 61 ASP H 5.310 . 5.310 2.628 2.445 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 60 VAL MG1 1 62 SER H 5.870 . 5.870 4.441 4.283 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 60 VAL MG2 1 61 ASP H 5.310 . 5.310 4.022 3.888 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 60 VAL MG2 1 62 SER H 5.870 . 5.870 4.938 4.706 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 60 VAL H 1 60 VAL HB 3.650 . 3.650 2.455 2.230 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 60 VAL H 1 60 VAL MG1 4.780 . 4.780 2.270 2.140 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 60 VAL H 1 60 VAL MG2 4.780 . 4.780 3.734 2.412 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 60 VAL H 1 61 ASP H 3.320 . 3.320 2.620 2.354 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 60 VAL H 1 62 SER H 4.380 . 4.380 4.137 3.996 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 61 ASP HA 1 62 SER H 3.450 . 3.450 3.355 3.190 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 61 ASP QB 1 62 SER H 4.830 . 4.830 3.345 3.035 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 61 ASP H 1 61 ASP QB 3.750 . 3.750 2.302 2.183 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 61 ASP H 1 61 ASP HB3 3.510 . 3.510 2.490 2.303 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 61 ASP H 1 61 ASP HB2 3.510 . 3.510 2.832 2.217 3.615 0.105 7 0 "[ . 1 . 2 . 3]" 1
802 1 61 ASP H 1 62 SER QB 4.990 . 4.990 4.242 3.828 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 61 ASP H 1 62 SER H 2.900 . 2.900 2.407 2.286 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 62 SER HA 1 63 VAL HB 4.160 . 4.160 4.203 4.153 4.268 0.108 9 0 "[ . 1 . 2 . 3]" 1
805 1 62 SER HA 1 63 VAL H 2.880 . 2.880 2.461 2.156 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 62 SER QB 1 63 VAL H 4.130 . 4.130 2.519 1.907 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 62 SER H 1 63 VAL H 4.800 . 4.800 4.463 4.219 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 63 VAL HA 1 64 ILE H 3.260 . 3.260 2.118 2.018 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 63 VAL HB 1 64 ILE H 4.550 . 4.550 4.135 4.071 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 63 VAL QG 1 64 ILE H 3.930 . 3.930 2.536 2.406 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 63 VAL MG1 1 64 ILE H 4.570 . 4.570 3.842 2.730 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 63 VAL MG2 1 64 ILE H 4.570 . 4.570 2.612 2.435 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 63 VAL H 1 63 VAL HB 3.000 . 3.000 2.842 2.245 3.028 0.028 14 0 "[ . 1 . 2 . 3]" 1
814 1 63 VAL H 1 63 VAL QG 3.850 . 3.850 2.096 1.949 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 63 VAL H 1 64 ILE H 4.730 . 4.730 4.362 4.174 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 64 ILE HA 1 64 ILE QG 3.990 . 3.990 2.483 2.372 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 64 ILE HA 1 65 GLU H 3.400 . 3.400 2.209 2.144 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 64 ILE MD 1 65 GLU H 6.090 . 6.090 5.113 4.836 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 64 ILE MD 1 66 LEU QD 7.020 . 7.020 3.726 3.295 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 64 ILE MG 1 65 GLU H 5.020 . 5.020 2.582 2.359 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 64 ILE MG 1 66 LEU H 5.650 . 5.650 4.189 3.784 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 64 ILE H 1 64 ILE HB 3.880 . 3.880 2.530 2.468 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 64 ILE H 1 64 ILE MD 4.940 . 4.940 3.609 2.207 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 64 ILE H 1 64 ILE HG12 4.080 . 4.080 3.614 3.436 4.126 0.046 7 0 "[ . 1 . 2 . 3]" 1
825 1 64 ILE H 1 65 GLU H 4.730 . 4.730 4.460 4.236 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 65 GLU HA 1 66 LEU HA 4.520 . 4.520 4.365 4.235 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 65 GLU HA 1 66 LEU H 3.560 . 3.560 2.068 1.969 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 65 GLU QB 1 66 LEU H 5.370 . 5.370 3.506 2.968 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 65 GLU QB 1 67 GLN QE 5.400 . 5.400 3.411 2.622 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 65 GLU QG 1 67 GLN QE 5.750 . 5.750 2.303 1.788 3.605 0.012 2 0 "[ . 1 . 2 . 3]" 1
831 1 65 GLU H 1 66 LEU QD 6.840 . 6.840 3.787 3.545 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 65 GLU H 1 66 LEU H 4.650 . 4.650 4.292 4.243 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 66 LEU HA 1 67 GLN HA 5.030 . 5.030 4.347 4.278 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 66 LEU HA 1 67 GLN H 3.230 . 3.230 2.143 2.057 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 66 LEU QB 1 67 GLN H 3.840 . 3.840 3.248 2.980 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 66 LEU HB3 1 67 GLN H 4.390 . 4.390 3.366 3.056 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 66 LEU HB2 1 67 GLN H 4.390 . 4.390 4.281 4.140 4.397 0.007 8 0 "[ . 1 . 2 . 3]" 1
838 1 66 LEU H 1 66 LEU QB 3.310 . 3.310 2.314 2.196 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 66 LEU H 1 66 LEU HB3 3.930 . 3.930 3.594 3.518 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 66 LEU H 1 66 LEU HB2 3.930 . 3.930 2.343 2.218 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 66 LEU H 1 66 LEU HG 4.270 . 4.270 4.012 3.799 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 66 LEU H 1 67 GLN H 4.670 . 4.670 4.361 4.254 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 67 GLN HA 1 68 VAL HA 5.080 . 5.080 4.362 4.285 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 67 GLN HA 1 68 VAL QG 5.750 . 5.750 3.399 3.238 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 67 GLN HA 1 68 VAL H 3.400 . 3.400 2.057 1.983 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 67 GLN QB 1 68 VAL H 5.010 . 5.010 3.456 3.097 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 67 GLN H 1 67 GLN HB3 3.900 . 3.900 3.378 2.822 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 67 GLN H 1 67 GLN HB2 3.900 . 3.900 2.283 2.114 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 67 GLN H 1 67 GLN QE 4.890 . 4.890 3.533 2.942 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 67 GLN H 1 67 GLN HE21 4.680 . 4.680 3.833 2.986 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 67 GLN H 1 67 GLN HE22 4.680 . 4.680 4.227 3.412 4.867 0.187 28 0 "[ . 1 . 2 . 3]" 1
852 1 67 GLN H 1 68 VAL QG 6.520 . 6.520 4.420 4.008 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 67 GLN H 1 68 VAL H 4.510 . 4.510 4.297 4.132 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 68 VAL HA 1 69 SER H 3.330 . 3.330 2.172 2.090 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 68 VAL HB 1 69 SER H 4.270 . 4.270 4.014 3.783 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 68 VAL QG 1 69 SER H 5.290 . 5.290 2.633 2.297 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 68 VAL MG1 1 69 SER H 5.470 . 5.470 2.664 2.313 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 68 VAL MG2 1 69 SER H 5.470 . 5.470 4.148 3.935 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 68 VAL H 1 68 VAL HB 3.530 . 3.530 2.601 2.533 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 69 SER QB 1 70 LYS H 5.090 . 5.090 3.279 2.704 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 69 SER H 1 70 LYS H 4.570 . 4.570 4.375 4.296 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 70 LYS HA 1 71 GLY H 3.140 . 3.140 2.142 2.022 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 70 LYS HA 1 72 ASN H 3.930 . 3.930 3.845 3.472 4.043 0.113 7 0 "[ . 1 . 2 . 3]" 1
864 1 70 LYS QB 1 71 GLY H 4.880 . 4.880 2.965 2.704 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 70 LYS QB 1 72 ASN QD 6.540 . 6.540 5.956 4.995 6.477 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 70 LYS QB 1 72 ASN H 4.610 . 4.610 2.897 2.494 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 70 LYS QD 1 72 ASN H 5.160 . 5.160 3.707 2.835 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 70 LYS QG 1 71 GLY H 4.550 . 4.550 4.011 3.756 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 70 LYS QG 1 72 ASN QD 4.740 . 4.740 4.374 3.391 4.827 0.087 12 0 "[ . 1 . 2 . 3]" 1
870 1 70 LYS QG 1 72 ASN H 3.920 . 3.920 3.034 2.506 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 70 LYS H 1 70 LYS QD 5.540 . 5.540 4.298 4.112 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 70 LYS H 1 70 LYS QG 3.720 . 3.720 2.276 2.075 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 70 LYS H 1 70 LYS HG3 4.300 . 4.300 3.046 2.666 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 70 LYS H 1 70 LYS HG2 4.300 . 4.300 2.365 2.119 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 70 LYS H 1 71 GLY H 4.570 . 4.570 4.397 4.226 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 71 GLY QA 1 73 GLN H 4.070 . 4.070 2.944 2.762 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 71 GLY H 1 71 GLY QA 2.570 . 2.570 2.177 2.144 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 71 GLY H 1 72 ASN HA 5.010 . 5.010 4.883 4.649 5.020 0.010 6 0 "[ . 1 . 2 . 3]" 1
879 1 71 GLY H 1 72 ASN H 3.700 . 3.700 2.610 2.408 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 71 GLY H 1 73 GLN H 4.480 . 4.480 4.222 3.760 4.531 0.051 4 0 "[ . 1 . 2 . 3]" 1
881 1 72 ASN HA 1 73 GLN H 3.480 . 3.480 3.196 2.786 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 72 ASN QB 1 73 GLN H 5.190 . 5.190 3.304 2.914 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 72 ASN H 1 72 ASN HB3 4.000 . 4.000 3.689 3.579 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 72 ASN H 1 72 ASN HB2 4.000 . 4.000 3.321 3.079 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 72 ASN H 1 73 GLN H 3.250 . 3.250 2.609 2.167 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 73 GLN HA 1 73 GLN QE 5.680 . 5.680 4.409 3.992 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 73 GLN HA 1 74 PHE HA 5.090 . 5.090 4.383 4.325 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 73 GLN HA 1 74 PHE QB 4.460 . 4.460 4.294 4.241 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 73 GLN HA 1 74 PHE QD 6.990 . 6.990 3.450 3.178 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 73 GLN HA 1 126 GLY QA 6.220 . 6.220 4.618 4.302 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 73 GLN HA 1 127 VAL QG 6.110 . 6.110 4.248 4.119 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 73 GLN HA 1 127 VAL H 4.500 . 4.500 4.137 3.818 4.507 0.007 19 0 "[ . 1 . 2 . 3]" 1
893 1 73 GLN HA 1 128 ASN HA 4.200 . 4.200 2.455 2.087 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 73 GLN HA 1 128 ASN H 4.720 . 4.720 4.252 3.909 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 73 GLN HA 1 129 ARG H 4.090 . 4.090 3.774 3.174 4.109 0.019 24 0 "[ . 1 . 2 . 3]" 1
896 1 73 GLN QB 1 74 PHE H 5.320 . 5.320 2.616 2.161 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 73 GLN QB 1 127 VAL H 5.380 . 5.380 2.964 2.686 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 73 GLN QE 1 128 ASN QB 4.490 . 4.490 2.937 2.571 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 73 GLN HE21 1 128 ASN H 4.100 . 4.100 3.019 2.535 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 73 GLN HE22 1 128 ASN H 4.100 . 4.100 4.158 4.132 4.236 0.136 3 0 "[ . 1 . 2 . 3]" 1
901 1 73 GLN QG 1 129 ARG H 4.420 . 4.420 4.014 3.636 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 73 GLN H 1 73 GLN HB3 3.960 . 3.960 3.696 3.632 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 73 GLN H 1 73 GLN HB2 3.960 . 3.960 2.551 2.449 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 73 GLN H 1 73 GLN QG 4.090 . 4.090 2.812 2.620 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 73 GLN H 1 74 PHE QD 7.620 . 7.620 5.391 5.044 5.834 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 73 GLN H 1 74 PHE H 4.560 . 4.560 4.375 4.270 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 73 GLN H 1 128 ASN HA 5.040 . 5.040 4.424 4.042 5.058 0.018 29 0 "[ . 1 . 2 . 3]" 1
908 1 74 PHE HA 1 75 VAL H 3.140 . 3.140 2.320 2.213 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 74 PHE QB 1 75 VAL H 3.250 . 3.250 2.648 2.494 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 74 PHE QB 1 127 VAL QG 5.730 . 5.730 4.336 4.111 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 74 PHE QD 1 75 VAL H 5.940 . 5.940 3.615 3.407 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 74 PHE QD 1 76 MET HA 6.480 . 6.480 3.359 2.912 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 74 PHE QD 1 76 MET QG 8.340 . 8.340 5.086 4.669 5.767 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 74 PHE QD 1 127 VAL QG 7.190 . 7.190 3.357 3.202 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 74 PHE QD 1 127 VAL H 6.450 . 6.450 4.429 4.315 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 74 PHE QD 1 129 ARG HA 5.910 . 5.910 2.946 2.118 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 74 PHE QD 1 129 ARG H 6.710 . 6.710 4.769 4.334 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 74 PHE QD 1 130 ASP H 7.620 . 7.620 5.865 5.380 6.230 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 74 PHE QD 1 131 GLY H 6.840 . 6.840 5.169 4.831 5.643 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 74 PHE QE 1 129 ARG H 7.010 . 7.010 4.740 4.368 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 74 PHE QE 1 130 ASP H 6.560 . 6.560 4.581 4.244 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 74 PHE QE 1 131 GLY H 6.290 . 6.290 3.421 3.087 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 74 PHE H 1 75 VAL H 4.700 . 4.700 4.361 4.288 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 74 PHE H 1 126 GLY QA 5.930 . 5.930 3.590 3.329 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 74 PHE H 1 127 VAL HA 4.790 . 4.790 4.617 4.420 4.793 0.003 24 0 "[ . 1 . 2 . 3]" 1
926 1 74 PHE H 1 127 VAL QG 5.590 . 5.590 3.240 3.011 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 74 PHE H 1 127 VAL H 4.050 . 4.050 2.747 2.574 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 74 PHE HZ 1 76 MET HA 5.490 . 5.490 5.302 4.669 5.524 0.034 21 0 "[ . 1 . 2 . 3]" 1
929 1 74 PHE HZ 1 76 MET QG 6.200 . 6.200 5.224 4.451 6.204 0.004 7 0 "[ . 1 . 2 . 3]" 1
930 1 74 PHE HZ 1 96 TRP HA 5.500 . 5.500 4.185 2.943 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 74 PHE HZ 1 96 TRP HD1 4.800 . 4.800 3.987 2.809 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 74 PHE HZ 1 96 TRP HE1 5.500 . 5.500 5.200 4.320 5.537 0.037 26 0 "[ . 1 . 2 . 3]" 1
933 1 74 PHE HZ 1 127 VAL QG 4.910 . 4.910 3.006 2.847 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 74 PHE HZ 1 129 ARG HA 5.500 . 5.500 4.993 4.372 5.528 0.028 24 0 "[ . 1 . 2 . 3]" 1
935 1 74 PHE HZ 1 133 ILE MG 6.100 . 6.100 5.740 5.303 6.152 0.052 23 0 "[ . 1 . 2 . 3]" 1
936 1 75 VAL HA 1 125 THR H 5.140 . 5.140 4.845 4.659 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 75 VAL HA 1 126 GLY QA 4.800 . 4.800 2.324 1.960 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 75 VAL HA 1 126 GLY H 4.700 . 4.700 4.258 3.911 4.715 0.015 30 0 "[ . 1 . 2 . 3]" 1
939 1 75 VAL HA 1 127 VAL H 4.140 . 4.140 3.646 3.285 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 75 VAL HB 1 76 MET H 4.380 . 4.380 4.237 4.145 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 75 VAL QG 1 76 MET H 5.640 . 5.640 2.772 2.592 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 75 VAL QG 1 124 GLY QA 6.430 . 6.430 2.179 1.949 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 75 VAL QG 1 124 GLY H 5.880 . 5.880 3.233 2.953 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 75 VAL QG 1 125 THR H 6.220 . 6.220 3.763 3.442 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 75 VAL QG 1 127 VAL H 7.560 . 7.560 4.832 4.446 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 75 VAL MG1 1 76 MET H 5.260 . 5.260 3.655 2.686 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 75 VAL MG2 1 76 MET H 5.260 . 5.260 3.274 2.629 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 75 VAL H 1 75 VAL HB 3.010 . 3.010 2.621 2.466 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 75 VAL H 1 75 VAL MG1 4.790 . 4.790 2.651 1.904 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 75 VAL H 1 75 VAL MG2 4.790 . 4.790 3.173 2.028 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 76 MET QB 1 124 GLY H 4.960 . 4.960 3.125 2.317 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 76 MET QB 1 125 THR H 4.640 . 4.640 3.347 2.561 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 76 MET ME 1 123 ALA HA 4.940 . 4.940 2.537 2.061 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 76 MET ME 1 124 GLY H 5.310 . 5.310 3.798 3.229 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 76 MET ME 1 125 THR H 4.740 . 4.740 3.718 3.066 4.809 0.069 25 0 "[ . 1 . 2 . 3]" 1
956 1 76 MET QG 1 124 GLY H 5.010 . 5.010 4.016 3.165 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 76 MET H 1 76 MET ME 5.380 . 5.380 4.206 3.760 5.513 0.133 25 0 "[ . 1 . 2 . 3]" 1
958 1 76 MET H 1 76 MET HG3 5.300 . 5.300 4.516 4.343 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 76 MET H 1 76 MET HG2 5.300 . 5.300 4.363 4.138 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 76 MET H 1 77 PRO QD 6.220 . 6.220 4.257 4.044 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 76 MET H 1 123 ALA HA 5.500 . 5.500 4.917 4.156 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 76 MET H 1 124 GLY H 4.150 . 4.150 3.581 3.228 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 76 MET H 1 125 THR HA 4.760 . 4.760 4.722 4.618 4.798 0.038 1 0 "[ . 1 . 2 . 3]" 1
964 1 76 MET H 1 125 THR H 3.670 . 3.670 3.692 3.647 3.716 0.046 27 0 "[ . 1 . 2 . 3]" 1
965 1 76 MET H 1 127 VAL QG 5.440 . 5.440 3.113 2.908 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 76 MET H 1 127 VAL H 4.800 . 4.800 3.658 3.466 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 77 PRO HA 1 78 ASP H 2.920 . 2.920 2.438 2.314 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 77 PRO HA 1 124 GLY H 5.260 . 5.260 4.162 3.492 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 77 PRO QB 1 78 ASP H 3.970 . 3.970 2.589 2.445 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 77 PRO HB3 1 78 ASP H 3.590 . 3.590 3.186 2.755 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 77 PRO HB2 1 78 ASP H 3.590 . 3.590 2.831 2.508 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 78 ASP HA 1 79 LEU H 3.540 . 3.540 2.077 1.949 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 78 ASP HA 1 80 SER H 3.770 . 3.770 3.316 2.803 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 78 ASP HA 1 123 ALA HA 4.270 . 4.270 3.800 3.244 4.288 0.018 6 0 "[ . 1 . 2 . 3]" 1
975 1 78 ASP HA 1 123 ALA MB 4.360 . 4.360 2.095 1.811 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 78 ASP QB 1 79 LEU H 4.780 . 4.780 3.299 2.798 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 78 ASP QB 1 80 SER H 5.430 . 5.430 3.259 2.504 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 78 ASP QB 1 123 ALA HA 6.220 . 6.220 4.819 3.830 6.151 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 78 ASP QB 1 123 ALA MB 5.360 . 5.360 2.511 1.848 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 78 ASP HB3 1 79 LEU H 4.450 . 4.450 4.015 2.951 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 78 ASP HB2 1 79 LEU H 4.450 . 4.450 3.671 2.855 4.456 0.006 2 0 "[ . 1 . 2 . 3]" 1
982 1 78 ASP H 1 78 ASP QB 3.920 . 3.920 2.466 2.238 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 78 ASP H 1 78 ASP HB3 3.680 . 3.680 2.764 2.405 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 78 ASP H 1 78 ASP HB2 3.680 . 3.680 3.153 2.326 3.709 0.029 18 0 "[ . 1 . 2 . 3]" 1
985 1 78 ASP H 1 79 LEU H 4.590 . 4.590 4.447 4.280 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 78 ASP H 1 123 ALA MB 5.240 . 5.240 3.392 2.652 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 79 LEU QB 1 80 SER H 5.170 . 5.170 3.794 3.068 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 79 LEU QD 1 80 SER HA 5.800 . 5.800 3.598 2.883 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 79 LEU QD 1 80 SER QB 7.370 . 7.370 4.191 3.358 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 79 LEU QD 1 80 SER H 6.070 . 6.070 3.475 2.965 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 79 LEU MD1 1 80 SER H 6.160 . 6.160 4.077 3.079 5.609 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 79 LEU MD2 1 80 SER H 6.160 . 6.160 4.494 3.260 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 79 LEU HG 1 80 SER H 5.500 . 5.500 4.546 3.723 5.674 0.174 12 0 "[ . 1 . 2 . 3]" 1
994 1 79 LEU H 1 79 LEU HG 5.010 . 5.010 3.308 2.251 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 79 LEU H 1 80 SER H 3.640 . 3.640 1.967 1.748 2.148 0.052 10 0 "[ . 1 . 2 . 3]" 1
996 1 79 LEU H 1 123 ALA MB 4.710 . 4.710 3.257 2.294 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 80 SER HA 1 81 GLY H 3.520 . 3.520 2.234 2.125 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 80 SER HA 1 116 VAL MG1 5.450 . 5.450 2.882 2.002 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 80 SER HA 1 116 VAL MG2 5.450 . 5.450 4.041 3.280 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 80 SER QB 1 81 GLY H 5.070 . 5.070 3.132 2.522 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 80 SER H 1 80 SER HB3 3.970 . 3.970 3.041 2.461 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 80 SER H 1 80 SER HB2 3.970 . 3.970 2.726 2.403 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 80 SER H 1 81 GLY H 4.640 . 4.640 4.541 4.453 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 80 SER H 1 123 ALA MB 5.150 . 5.150 3.961 2.949 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 81 GLY QA 1 116 VAL QG 6.730 . 6.730 3.790 2.299 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 81 GLY QA 1 116 VAL H 4.170 . 4.170 3.868 3.038 4.216 0.046 8 0 "[ . 1 . 2 . 3]" 1
1007 1 81 GLY H 1 82 MET H 3.470 . 3.470 2.661 2.271 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 81 GLY H 1 116 VAL HB 3.940 . 3.940 2.808 2.033 4.027 0.087 7 0 "[ . 1 . 2 . 3]" 1
1009 1 81 GLY H 1 116 VAL MG1 5.210 . 5.210 3.010 1.718 3.849 0.082 24 0 "[ . 1 . 2 . 3]" 1
1010 1 81 GLY H 1 116 VAL MG2 5.210 . 5.210 4.029 3.694 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 81 GLY H 1 116 VAL H 4.370 . 4.370 3.995 3.126 4.388 0.018 14 0 "[ . 1 . 2 . 3]" 1
1012 1 82 MET HA 1 83 PHE HA 4.800 . 4.800 4.309 4.221 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 82 MET HA 1 83 PHE QD 6.210 . 6.210 3.748 2.910 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 82 MET HA 1 83 PHE H 3.110 . 3.110 2.586 2.292 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 82 MET HA 1 115 ARG HA 4.980 . 4.980 4.395 3.928 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 82 MET HA 1 115 ARG HE 5.500 . 5.500 4.982 2.748 5.584 0.084 10 0 "[ . 1 . 2 . 3]" 1
1017 1 82 MET QB 1 83 PHE H 3.140 . 3.140 2.145 1.901 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 82 MET QB 1 86 ASP QB 3.340 . 3.340 2.143 1.818 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 82 MET QB 1 86 ASP H 4.430 . 4.430 4.256 3.820 4.486 0.056 8 0 "[ . 1 . 2 . 3]" 1
1020 1 82 MET QB 1 87 ALA H 4.770 . 4.770 4.077 3.714 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 82 MET HB3 1 83 PHE H 3.610 . 3.610 3.627 3.430 3.712 0.102 27 0 "[ . 1 . 2 . 3]" 1
1022 1 82 MET HB2 1 83 PHE H 3.610 . 3.610 2.161 1.910 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 82 MET ME 1 86 ASP HA 6.370 . 6.370 5.549 3.994 6.414 0.044 6 0 "[ . 1 . 2 . 3]" 1
1024 1 82 MET ME 1 86 ASP H 6.150 . 6.150 5.667 3.620 6.188 0.038 30 0 "[ . 1 . 2 . 3]" 1
1025 1 82 MET QG 1 83 PHE H 3.620 . 3.620 3.223 2.900 3.695 0.075 28 0 "[ . 1 . 2 . 3]" 1
1026 1 82 MET QG 1 87 ALA MB 5.360 . 5.360 2.778 2.054 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 82 MET H 1 82 MET QB 3.680 . 3.680 3.146 2.746 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 82 MET H 1 82 MET QG 3.310 . 3.310 2.473 2.240 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 82 MET H 1 82 MET HG3 3.840 . 3.840 3.259 2.331 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 82 MET H 1 82 MET HG2 3.840 . 3.840 2.614 2.283 3.911 0.071 28 0 "[ . 1 . 2 . 3]" 1
1031 1 82 MET H 1 83 PHE QD 7.440 . 7.440 5.693 5.327 6.093 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 82 MET H 1 83 PHE H 4.470 . 4.470 4.350 4.229 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 82 MET H 1 115 ARG HA 4.230 . 4.230 4.189 3.690 4.353 0.123 10 0 "[ . 1 . 2 . 3]" 1
1034 1 82 MET H 1 115 ARG QD 5.100 . 5.100 4.394 2.994 5.188 0.088 18 0 "[ . 1 . 2 . 3]" 1
1035 1 82 MET H 1 115 ARG QG 5.690 . 5.690 4.523 3.298 5.763 0.073 7 0 "[ . 1 . 2 . 3]" 1
1036 1 82 MET H 1 116 VAL HB 3.320 . 3.320 2.774 2.202 3.437 0.117 24 0 "[ . 1 . 2 . 3]" 1
1037 1 82 MET H 1 116 VAL QG 5.670 . 5.670 2.825 1.801 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 82 MET H 1 116 VAL H 3.930 . 3.930 2.683 2.258 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 83 PHE HA 1 85 VAL QG 6.560 . 6.560 4.283 4.050 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 83 PHE HA 1 85 VAL H 4.460 . 4.460 4.137 3.920 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 83 PHE HA 1 115 ARG HA 4.690 . 4.690 2.541 2.092 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 83 PHE HA 1 115 ARG QG 6.220 . 6.220 4.595 3.319 5.730 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 83 PHE HA 1 116 VAL HB 5.500 . 5.500 5.431 4.615 5.602 0.102 6 0 "[ . 1 . 2 . 3]" 1
1044 1 83 PHE HA 1 137 PHE QD 7.340 . 7.340 4.573 3.693 5.469 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 83 PHE HA 1 137 PHE QE 7.620 . 7.620 5.759 2.361 6.410 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 83 PHE QB 1 84 TRP H 3.960 . 3.960 2.375 2.087 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 83 PHE QB 1 85 VAL HA 4.830 . 4.830 4.649 4.415 4.856 0.026 29 0 "[ . 1 . 2 . 3]" 1
1048 1 83 PHE QB 1 85 VAL QG 5.450 . 5.450 1.929 1.842 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 83 PHE QB 1 85 VAL H 3.360 . 3.360 2.434 2.245 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 83 PHE QB 1 86 ASP H 3.790 . 3.790 2.778 2.363 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 83 PHE HB3 1 84 TRP H 4.580 . 4.580 2.426 2.111 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 83 PHE HB3 1 85 VAL H 3.860 . 3.860 2.720 2.356 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 83 PHE HB2 1 84 TRP H 4.580 . 4.580 3.421 3.094 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 83 PHE HB2 1 85 VAL H 3.860 . 3.860 2.791 2.510 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 83 PHE QD 1 84 TRP H 7.000 . 7.000 4.014 3.655 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 83 PHE QD 1 85 VAL QG 7.710 . 7.710 3.110 2.363 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 83 PHE QD 1 85 VAL H 6.110 . 6.110 4.507 4.206 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 83 PHE QD 1 86 ASP H 6.290 . 6.290 4.409 3.705 5.067 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 83 PHE QD 1 87 ALA H 7.620 . 7.620 5.700 5.125 6.174 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 83 PHE QD 1 114 ASN H 6.890 . 6.890 3.613 2.633 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 83 PHE QD 1 115 ARG QG 8.030 . 8.030 3.951 2.163 5.646 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 83 PHE QD 1 115 ARG H 6.460 . 6.460 4.351 2.850 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 83 PHE QD 1 116 VAL H 7.220 . 7.220 5.125 4.227 6.124 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 83 PHE QE 1 115 ARG QB 7.560 . 7.560 4.061 2.404 6.004 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 83 PHE H 1 83 PHE QB 3.290 . 3.290 2.460 2.332 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 83 PHE H 1 83 PHE HB3 3.830 . 3.830 3.628 3.545 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 83 PHE H 1 83 PHE HB2 3.830 . 3.830 2.503 2.365 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 83 PHE H 1 83 PHE QD 5.490 . 5.490 2.571 2.046 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 83 PHE H 1 83 PHE QE 7.200 . 7.200 4.449 4.051 4.837 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 83 PHE H 1 84 TRP H 4.530 . 4.530 4.477 4.408 4.540 0.010 27 0 "[ . 1 . 2 . 3]" 1
1071 1 83 PHE H 1 85 VAL QG 5.720 . 5.720 3.971 3.427 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 83 PHE H 1 85 VAL H 4.560 . 4.560 4.623 4.531 4.689 0.129 20 0 "[ . 1 . 2 . 3]" 1
1073 1 83 PHE H 1 86 ASP QB 4.850 . 4.850 2.454 1.847 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 83 PHE H 1 86 ASP H 4.290 . 4.290 3.486 3.254 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 83 PHE H 1 87 ALA MB 5.590 . 5.590 4.718 4.266 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 83 PHE H 1 87 ALA H 4.400 . 4.400 4.122 3.759 4.406 0.006 10 0 "[ . 1 . 2 . 3]" 1
1077 1 84 TRP HA 1 86 ASP H 4.340 . 4.340 3.742 3.528 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 84 TRP HA 1 87 ALA MB 4.640 . 4.640 2.197 1.943 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 84 TRP HA 1 87 ALA H 4.270 . 4.270 3.097 2.848 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 84 TRP HA 1 88 GLU H 4.550 . 4.550 3.832 3.292 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 84 TRP HA 1 91 LEU QD 7.570 . 7.570 5.591 4.815 7.361 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 84 TRP QB 1 84 TRP HD1 3.100 . 3.100 2.740 2.676 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 84 TRP QB 1 85 VAL HA 4.320 . 4.320 4.104 3.990 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 84 TRP QB 1 85 VAL H 3.510 . 3.510 2.824 2.700 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 84 TRP QB 1 87 ALA MB 4.950 . 4.950 3.946 3.666 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 84 TRP QB 1 137 PHE QE 5.920 . 5.920 3.041 2.354 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 84 TRP QB 1 137 PHE HZ 4.210 . 4.210 3.909 2.530 4.277 0.067 18 0 "[ . 1 . 2 . 3]" 1
1088 1 84 TRP HB3 1 85 VAL H 4.060 . 4.060 2.892 2.754 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 84 TRP HB2 1 85 VAL H 4.060 . 4.060 3.960 3.871 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 84 TRP HD1 1 85 VAL H 5.050 . 5.050 4.166 3.902 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 84 TRP HD1 1 88 GLU H 4.260 . 4.260 4.200 3.705 4.331 0.071 20 0 "[ . 1 . 2 . 3]" 1
1092 1 84 TRP HE3 1 102 LYS QB 5.340 . 5.340 4.248 2.937 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 84 TRP HE3 1 137 PHE QE 5.620 . 5.620 3.103 2.127 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 84 TRP HH2 1 100 LEU HA 5.500 . 5.500 5.278 4.385 5.556 0.056 4 0 "[ . 1 . 2 . 3]" 1
1095 1 84 TRP HH2 1 100 LEU QB 4.070 . 4.070 2.786 2.251 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 84 TRP HH2 1 100 LEU HB3 4.700 . 4.700 2.842 2.265 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 84 TRP HH2 1 100 LEU HB2 4.700 . 4.700 4.380 2.570 4.746 0.046 24 0 "[ . 1 . 2 . 3]" 1
1098 1 84 TRP HH2 1 100 LEU QD 6.450 . 6.450 2.684 1.938 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 84 TRP H 1 84 TRP QB 3.680 . 3.680 2.283 2.226 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 84 TRP H 1 84 TRP HD1 5.500 . 5.500 5.038 4.900 5.239 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 84 TRP H 1 84 TRP HE3 5.250 . 5.250 4.680 4.331 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 84 TRP H 1 85 VAL QG 6.290 . 6.290 3.616 3.370 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 84 TRP H 1 85 VAL H 3.850 . 3.850 2.505 2.324 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 84 TRP H 1 86 ASP H 4.620 . 4.620 4.019 3.837 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 84 TRP H 1 87 ALA MB 5.620 . 5.620 4.409 4.130 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 84 TRP H 1 137 PHE QD 7.620 . 7.620 4.127 2.998 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 84 TRP H 1 137 PHE QE 7.040 . 7.040 4.364 3.190 5.517 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 84 TRP HZ2 1 100 LEU QB 4.530 . 4.530 3.480 2.278 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 84 TRP HZ2 1 100 LEU QD 6.170 . 6.170 3.431 2.566 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 84 TRP HZ2 1 100 LEU H 5.500 . 5.500 5.103 4.447 5.552 0.052 7 0 "[ . 1 . 2 . 3]" 1
1111 1 84 TRP HZ3 1 100 LEU QD 6.650 . 6.650 2.509 1.875 3.322 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 84 TRP HZ3 1 137 PHE QE 6.530 . 6.530 3.047 2.475 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 85 VAL HA 1 85 VAL HB 2.980 . 2.980 2.487 2.440 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 85 VAL QG 1 86 ASP H 4.880 . 4.880 2.689 2.384 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 85 VAL QG 1 87 ALA H 6.090 . 6.090 4.239 4.028 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 85 VAL H 1 85 VAL HB 3.600 . 3.600 3.023 2.503 3.657 0.057 1 0 "[ . 1 . 2 . 3]" 1
1117 1 85 VAL H 1 86 ASP QB 5.580 . 5.580 4.466 4.116 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 85 VAL H 1 86 ASP H 3.600 . 3.600 2.533 2.372 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 85 VAL H 1 87 ALA MB 5.650 . 5.650 4.570 4.291 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 85 VAL H 1 87 ALA H 4.130 . 4.130 3.919 3.691 4.142 0.012 7 0 "[ . 1 . 2 . 3]" 1
1121 1 86 ASP QB 1 87 ALA H 4.740 . 4.740 2.613 2.307 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 86 ASP H 1 87 ALA HA 4.920 . 4.920 4.699 4.588 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 86 ASP H 1 87 ALA MB 4.820 . 4.820 3.724 3.640 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 86 ASP H 1 87 ALA H 3.550 . 3.550 2.029 1.935 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 86 ASP H 1 88 GLU H 4.140 . 4.140 3.905 3.577 4.159 0.019 28 0 "[ . 1 . 2 . 3]" 1
1126 1 86 ASP H 1 89 PRO QD 5.590 . 5.590 3.938 3.593 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 87 ALA MB 1 88 GLU H 4.510 . 4.510 2.488 2.320 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 87 ALA MB 1 90 ARG H 5.750 . 5.750 4.574 4.359 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 87 ALA H 1 88 GLU H 4.040 . 4.040 2.822 2.551 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 87 ALA H 1 90 ARG QB 5.900 . 5.900 4.854 4.299 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 88 GLU HA 1 88 GLU HG3 4.230 . 4.230 3.085 2.479 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 88 GLU HA 1 88 GLU HG2 4.230 . 4.230 2.669 2.299 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 88 GLU HA 1 90 ARG H 4.600 . 4.600 4.258 3.990 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 88 GLU HA 1 91 LEU QD 6.300 . 6.300 2.198 1.818 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 88 GLU HA 1 91 LEU HG 4.880 . 4.880 2.971 1.926 4.887 0.007 26 0 "[ . 1 . 2 . 3]" 1
1136 1 88 GLU HA 1 91 LEU H 4.130 . 4.130 3.356 3.011 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 88 GLU QB 1 89 PRO QB 4.620 . 4.620 4.621 4.400 4.707 0.087 16 0 "[ . 1 . 2 . 3]" 1
1138 1 88 GLU QB 1 89 PRO QD 5.740 . 5.740 1.923 1.793 2.238 0.007 3 0 "[ . 1 . 2 . 3]" 1
1139 1 88 GLU QB 1 91 LEU QD 7.260 . 7.260 3.534 3.080 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 88 GLU QB 1 92 ARG QG 5.180 . 5.180 4.803 4.061 5.265 0.085 19 0 "[ . 1 . 2 . 3]" 1
1141 1 88 GLU H 1 88 GLU HB3 3.610 . 3.610 3.125 2.508 3.655 0.045 30 0 "[ . 1 . 2 . 3]" 1
1142 1 88 GLU H 1 88 GLU HB2 3.610 . 3.610 2.495 2.181 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 88 GLU H 1 88 GLU QG 4.710 . 4.710 3.146 1.980 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 88 GLU H 1 89 PRO QD 5.090 . 5.090 2.505 2.352 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 88 GLU H 1 89 PRO HD3 4.930 . 4.930 3.286 2.773 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 88 GLU H 1 89 PRO HD2 4.930 . 4.930 2.642 2.382 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 88 GLU H 1 90 ARG QB 5.450 . 5.450 4.874 4.440 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 88 GLU H 1 90 ARG H 4.380 . 4.380 4.107 3.850 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 88 GLU H 1 91 LEU QD 6.900 . 6.900 3.981 3.607 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 89 PRO HA 1 91 LEU H 4.250 . 4.250 4.299 4.173 4.345 0.095 23 0 "[ . 1 . 2 . 3]" 1
1151 1 89 PRO HA 1 92 ARG H 3.780 . 3.780 3.671 3.510 3.795 0.015 2 0 "[ . 1 . 2 . 3]" 1
1152 1 89 PRO HA 1 93 ALA H 4.140 . 4.140 4.057 3.900 4.188 0.048 14 0 "[ . 1 . 2 . 3]" 1
1153 1 89 PRO QB 1 90 ARG H 3.630 . 3.630 2.778 2.373 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 90 ARG HA 1 90 ARG QD 4.510 . 4.510 2.525 1.928 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 90 ARG HA 1 90 ARG HD3 4.360 . 4.360 3.144 1.951 4.449 0.089 7 0 "[ . 1 . 2 . 3]" 1
1156 1 90 ARG HA 1 90 ARG HD2 4.360 . 4.360 3.166 1.995 4.475 0.115 7 0 "[ . 1 . 2 . 3]" 1
1157 1 90 ARG HA 1 90 ARG HE 4.710 . 4.710 3.114 1.820 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 90 ARG HA 1 90 ARG QG 3.990 . 3.990 2.866 2.186 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 90 ARG HA 1 92 ARG H 4.800 . 4.800 4.632 4.464 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 90 ARG HA 1 93 ALA MB 4.170 . 4.170 2.461 2.128 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 90 ARG HA 1 93 ALA H 4.350 . 4.350 3.424 3.155 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 90 ARG HA 1 94 LEU H 3.900 . 3.900 3.878 3.356 4.034 0.134 22 0 "[ . 1 . 2 . 3]" 1
1163 1 90 ARG QB 1 90 ARG HE 4.650 . 4.650 3.007 1.929 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 90 ARG QB 1 91 LEU QD 8.200 . 8.200 3.794 2.743 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 90 ARG QB 1 91 LEU H 4.310 . 4.310 2.694 2.437 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 90 ARG HB3 1 90 ARG HE 4.490 . 4.490 3.236 1.944 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 90 ARG HB3 1 91 LEU H 3.960 . 3.960 3.638 2.703 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 90 ARG HB2 1 90 ARG HE 4.490 . 4.490 3.979 2.157 4.531 0.041 12 0 "[ . 1 . 2 . 3]" 1
1169 1 90 ARG HB2 1 91 LEU H 3.960 . 3.960 2.809 2.482 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 90 ARG HE 1 93 ALA MB 5.030 . 5.030 4.235 2.972 5.193 0.163 13 0 "[ . 1 . 2 . 3]" 1
1171 1 90 ARG QG 1 91 LEU H 5.880 . 5.880 4.185 3.889 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 90 ARG HE 1 90 ARG HG3 3.700 . 3.700 3.172 2.293 3.813 0.113 25 0 "[ . 1 . 2 . 3]" 1
1173 1 90 ARG HE 1 90 ARG HG2 3.700 . 3.700 2.965 2.226 3.787 0.087 22 0 "[ . 1 . 2 . 3]" 1
1174 1 90 ARG H 1 90 ARG HB3 3.680 . 3.680 3.610 2.674 3.686 0.006 9 0 "[ . 1 . 2 . 3]" 1
1175 1 90 ARG H 1 90 ARG HB2 3.680 . 3.680 2.495 2.187 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 90 ARG H 1 90 ARG QD 5.740 . 5.740 3.889 3.263 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 90 ARG H 1 90 ARG QG 4.470 . 4.470 2.470 2.186 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 90 ARG H 1 90 ARG HG3 4.370 . 4.370 3.737 2.399 4.415 0.045 20 0 "[ . 1 . 2 . 3]" 1
1179 1 90 ARG H 1 90 ARG HG2 4.370 . 4.370 2.555 2.202 4.444 0.074 20 0 "[ . 1 . 2 . 3]" 1
1180 1 90 ARG H 1 91 LEU QD 7.570 . 7.570 4.449 3.701 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 90 ARG H 1 91 LEU H 3.650 . 3.650 2.665 2.522 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 90 ARG H 1 92 ARG QD 6.220 . 6.220 5.550 5.086 6.260 0.040 28 0 "[ . 1 . 2 . 3]" 1
1183 1 90 ARG H 1 92 ARG QG 4.380 . 4.380 4.322 4.189 4.402 0.022 21 0 "[ . 1 . 2 . 3]" 1
1184 1 90 ARG H 1 92 ARG H 4.700 . 4.700 4.432 4.297 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 90 ARG H 1 93 ALA MB 5.920 . 5.920 4.521 4.246 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 91 LEU HA 1 94 LEU QB 4.030 . 4.030 3.369 2.197 4.134 0.104 3 0 "[ . 1 . 2 . 3]" 1
1187 1 91 LEU HA 1 94 LEU HG 3.910 . 3.910 3.210 2.183 4.020 0.110 19 0 "[ . 1 . 2 . 3]" 1
1188 1 91 LEU HA 1 94 LEU H 4.330 . 4.330 3.528 3.197 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 91 LEU QB 1 92 ARG H 4.840 . 4.840 2.834 2.231 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 91 LEU HB3 1 92 ARG H 4.630 . 4.630 3.619 2.361 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 91 LEU HB2 1 92 ARG H 4.630 . 4.630 3.082 2.253 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 91 LEU QD 1 92 ARG H 6.250 . 6.250 3.063 1.948 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 91 LEU QD 1 96 TRP QB 5.610 . 5.610 3.211 1.868 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 91 LEU MD1 1 92 ARG H 5.800 . 5.800 3.297 1.951 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 91 LEU MD2 1 92 ARG H 5.800 . 5.800 4.247 3.063 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 91 LEU H 1 91 LEU HB3 3.810 . 3.810 3.142 2.025 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 91 LEU H 1 91 LEU HB2 3.810 . 3.810 3.063 2.317 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 91 LEU H 1 91 LEU MD1 5.090 . 5.090 3.380 1.909 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 91 LEU H 1 91 LEU MD2 5.090 . 5.090 3.449 2.651 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 91 LEU H 1 91 LEU HG 4.400 . 4.400 2.713 1.991 4.455 0.055 17 0 "[ . 1 . 2 . 3]" 1
1201 1 91 LEU H 1 92 ARG HA 5.420 . 5.420 5.271 5.192 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 91 LEU H 1 92 ARG QG 4.220 . 4.220 3.816 3.657 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 91 LEU H 1 92 ARG H 3.960 . 3.960 2.707 2.608 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 91 LEU H 1 93 ALA MB 5.570 . 5.570 4.698 4.423 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 91 LEU H 1 93 ALA H 4.680 . 4.680 3.962 3.783 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 91 LEU H 1 94 LEU QD 5.250 . 5.250 4.359 3.756 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 92 ARG HA 1 94 LEU H 4.740 . 4.740 4.275 3.985 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 92 ARG QB 1 93 ALA H 5.140 . 5.140 3.512 3.328 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 92 ARG HB3 1 93 ALA H 5.020 . 5.020 4.158 4.059 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 92 ARG HB2 1 93 ALA H 5.020 . 5.020 3.793 3.491 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 92 ARG QD 1 93 ALA H 6.010 . 6.010 4.289 2.477 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 92 ARG QG 1 93 ALA H 3.520 . 3.520 2.401 2.188 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 92 ARG QG 1 94 LEU H 4.820 . 4.820 4.619 4.406 4.864 0.044 30 0 "[ . 1 . 2 . 3]" 1
1214 1 92 ARG HG3 1 93 ALA H 4.190 . 4.190 2.587 2.215 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 92 ARG HG2 1 93 ALA H 4.190 . 4.190 2.998 2.471 4.208 0.018 30 0 "[ . 1 . 2 . 3]" 1
1216 1 92 ARG H 1 92 ARG QD 4.830 . 4.830 3.827 3.405 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 92 ARG H 1 92 ARG HD3 4.500 . 4.500 4.441 3.889 4.602 0.102 22 0 "[ . 1 . 2 . 3]" 1
1218 1 92 ARG H 1 92 ARG HD2 4.500 . 4.500 4.214 3.577 4.587 0.087 27 0 "[ . 1 . 2 . 3]" 1
1219 1 92 ARG H 1 92 ARG HE 5.250 . 5.250 4.440 2.867 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 92 ARG H 1 92 ARG HG3 3.510 . 3.510 3.101 2.105 3.531 0.021 25 0 "[ . 1 . 2 . 3]" 1
1221 1 92 ARG H 1 92 ARG HG2 3.510 . 3.510 2.043 1.804 3.422 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 92 ARG H 1 93 ALA MB 5.400 . 5.400 4.355 4.262 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 92 ARG H 1 93 ALA H 3.870 . 3.870 2.666 2.600 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 92 ARG H 1 94 LEU H 4.900 . 4.900 4.160 3.986 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 92 ARG H 1 96 TRP H 5.340 . 5.340 4.894 4.691 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 93 ALA MB 1 94 LEU H 4.380 . 4.380 2.691 2.597 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 93 ALA H 1 94 LEU QB 4.640 . 4.640 4.401 3.980 4.701 0.061 10 0 "[ . 1 . 2 . 3]" 1
1228 1 93 ALA H 1 94 LEU QD 5.910 . 5.910 4.974 4.550 5.408 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 93 ALA H 1 94 LEU H 3.610 . 3.610 2.602 2.515 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 93 ALA H 1 95 GLY H 4.270 . 4.270 3.814 3.710 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 94 LEU HA 1 95 GLY H 3.590 . 3.590 3.323 3.258 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 94 LEU HA 1 96 TRP H 5.500 . 5.500 4.988 4.595 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 94 LEU QB 1 95 GLY H 4.310 . 4.310 3.549 3.153 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 94 LEU QB 1 96 TRP H 4.840 . 4.840 4.053 3.222 4.889 0.049 22 0 "[ . 1 . 2 . 3]" 1
1235 1 94 LEU QD 1 95 GLY H 5.240 . 5.240 3.785 3.287 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 94 LEU QD 1 96 TRP QB 4.070 . 4.070 2.119 1.852 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 94 LEU QD 1 96 TRP H 5.220 . 5.220 3.340 2.830 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 94 LEU MD1 1 95 GLY H 6.150 . 6.150 4.036 3.354 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 94 LEU MD1 1 96 TRP H 6.210 . 6.210 3.782 2.870 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 94 LEU MD2 1 95 GLY H 6.150 . 6.150 4.656 4.457 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 94 LEU MD2 1 96 TRP H 6.210 . 6.210 4.088 3.814 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 94 LEU HG 1 95 GLY H 3.880 . 3.880 3.466 3.033 3.904 0.024 23 0 "[ . 1 . 2 . 3]" 1
1243 1 94 LEU HG 1 96 TRP HA 4.200 . 4.200 3.937 3.134 4.244 0.044 2 0 "[ . 1 . 2 . 3]" 1
1244 1 94 LEU HG 1 96 TRP QB 3.690 . 3.690 2.404 1.959 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 94 LEU HG 1 96 TRP H 4.640 . 4.640 2.924 2.532 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 94 LEU H 1 94 LEU QB 3.290 . 3.290 2.201 1.911 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 94 LEU H 1 94 LEU QD 4.260 . 4.260 3.365 3.086 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 94 LEU H 1 94 LEU HG 3.690 . 3.690 3.203 2.509 3.889 0.199 23 0 "[ . 1 . 2 . 3]" 1
1249 1 94 LEU H 1 95 GLY QA 5.540 . 5.540 4.328 4.223 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 94 LEU H 1 95 GLY H 3.680 . 3.680 2.406 2.283 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 94 LEU H 1 96 TRP QB 4.770 . 4.770 4.473 4.232 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 94 LEU H 1 96 TRP HB3 5.500 . 5.500 5.108 4.608 5.542 0.042 22 0 "[ . 1 . 2 . 3]" 1
1253 1 94 LEU H 1 96 TRP HB2 5.500 . 5.500 4.989 4.651 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 94 LEU H 1 96 TRP H 4.210 . 4.210 3.856 3.562 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 95 GLY QA 1 96 TRP HA 5.680 . 5.680 4.055 3.991 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 95 GLY H 1 96 TRP H 3.660 . 3.660 2.533 2.380 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 96 TRP HA 1 96 TRP HD1 3.960 . 3.960 2.392 2.103 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 96 TRP HA 1 96 TRP HE1 5.140 . 5.140 4.869 4.595 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 96 TRP HA 1 97 THR MG 5.360 . 5.360 3.971 3.517 5.362 0.002 13 0 "[ . 1 . 2 . 3]" 1
1260 1 96 TRP HD1 1 97 THR HA 4.930 . 4.930 4.471 4.104 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 96 TRP HD1 1 97 THR MG 6.530 . 6.530 4.426 3.333 5.323 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 96 TRP HD1 1 97 THR H 4.410 . 4.410 2.063 1.785 2.459 0.015 3 0 "[ . 1 . 2 . 3]" 1
1263 1 96 TRP HD1 1 98 GLY H 5.100 . 5.100 2.040 1.800 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 96 TRP HD1 1 131 GLY QA 5.240 . 5.240 2.753 2.368 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 96 TRP HD1 1 131 GLY H 5.280 . 5.280 4.809 4.400 5.190 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 96 TRP HE1 1 97 THR H 4.820 . 4.820 4.253 4.066 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 96 TRP HE1 1 98 GLY QA 3.750 . 3.750 2.227 2.044 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 96 TRP HE1 1 98 GLY HA3 4.280 . 4.280 2.240 2.052 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 96 TRP HE1 1 98 GLY HA2 4.280 . 4.280 3.930 3.770 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 96 TRP HE1 1 98 GLY H 4.340 . 4.340 2.611 2.466 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 96 TRP HE1 1 99 MET HA 5.500 . 5.500 5.372 4.804 5.584 0.084 7 0 "[ . 1 . 2 . 3]" 1
1272 1 96 TRP HE1 1 99 MET H 4.370 . 4.370 3.950 3.454 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 96 TRP HE1 1 131 GLY QA 6.150 . 6.150 2.627 2.191 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 96 TRP HE1 1 131 GLY H 4.680 . 4.680 4.339 4.169 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 96 TRP HE1 1 132 ILE HA 4.380 . 4.380 2.866 2.572 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 96 TRP HE1 1 132 ILE MD 5.540 . 5.540 5.326 5.119 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 96 TRP HE1 1 132 ILE QG 4.310 . 4.310 4.352 4.283 4.398 0.088 23 0 "[ . 1 . 2 . 3]" 1
1278 1 96 TRP HE1 1 133 ILE MG 5.650 . 5.650 4.765 4.138 5.286 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 96 TRP HE1 1 133 ILE H 4.460 . 4.460 4.360 3.977 4.499 0.039 15 0 "[ . 1 . 2 . 3]" 1
1280 1 96 TRP HH2 1 99 MET HA 5.040 . 5.040 4.923 3.798 5.101 0.061 15 0 "[ . 1 . 2 . 3]" 1
1281 1 96 TRP HH2 1 132 ILE MD 4.870 . 4.870 4.810 4.505 4.902 0.032 15 0 "[ . 1 . 2 . 3]" 1
1282 1 96 TRP H 1 96 TRP QB 3.440 . 3.440 2.242 2.194 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 96 TRP H 1 96 TRP HB3 3.980 . 3.980 2.411 2.287 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 96 TRP H 1 96 TRP HB2 3.980 . 3.980 2.689 2.498 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 96 TRP H 1 97 THR HA 5.500 . 5.500 5.230 4.950 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 96 TRP H 1 97 THR H 4.690 . 4.690 4.494 4.447 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 96 TRP HZ2 1 98 GLY QA 3.730 . 3.730 3.728 3.374 3.831 0.101 20 0 "[ . 1 . 2 . 3]" 1
1288 1 96 TRP HZ2 1 99 MET HA 5.400 . 5.400 4.562 4.125 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 96 TRP HZ2 1 99 MET H 4.370 . 4.370 3.774 3.281 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 96 TRP HZ2 1 100 LEU QB 4.940 . 4.940 4.548 4.028 5.068 0.128 28 0 "[ . 1 . 2 . 3]" 1
1291 1 96 TRP HZ2 1 100 LEU H 5.020 . 5.020 4.718 4.299 5.040 0.020 19 0 "[ . 1 . 2 . 3]" 1
1292 1 96 TRP HZ2 1 132 ILE HA 4.030 . 4.030 2.060 1.928 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 96 TRP HZ2 1 132 ILE HB 5.500 . 5.500 4.241 3.949 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 96 TRP HZ2 1 132 ILE MD 5.060 . 5.060 3.865 3.611 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 96 TRP HZ2 1 132 ILE H 4.860 . 4.860 4.615 4.418 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 96 TRP HZ2 1 133 ILE H 3.690 . 3.690 2.285 2.040 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 96 TRP HZ3 1 133 ILE H 5.500 . 5.500 5.429 5.151 5.628 0.128 22 0 "[ . 1 . 2 . 3]" 1
1298 1 97 THR HA 1 97 THR HB 2.820 . 2.820 2.613 2.467 2.968 0.148 23 0 "[ . 1 . 2 . 3]" 1
1299 1 97 THR H 1 98 GLY QA 4.590 . 4.590 4.151 3.962 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 97 THR H 1 98 GLY H 4.030 . 4.030 2.298 2.125 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 98 GLY QA 1 130 ASP HA 3.920 . 3.920 3.758 3.454 3.964 0.044 29 0 "[ . 1 . 2 . 3]" 1
1302 1 98 GLY HA3 1 130 ASP HA 4.500 . 4.500 4.074 3.734 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 98 GLY HA2 1 130 ASP HA 4.500 . 4.500 4.413 4.071 4.554 0.054 8 0 "[ . 1 . 2 . 3]" 1
1304 1 98 GLY H 1 99 MET H 4.820 . 4.820 4.387 4.165 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 98 GLY H 1 131 GLY H 5.500 . 5.500 5.418 4.964 5.604 0.104 9 0 "[ . 1 . 2 . 3]" 1
1306 1 99 MET HA 1 99 MET QG 3.880 . 3.880 2.586 2.381 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 99 MET HA 1 100 LEU H 3.190 . 3.190 2.255 2.100 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 99 MET QB 1 132 ILE MD 5.880 . 5.880 4.470 3.379 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 99 MET QG 1 100 LEU H 5.430 . 5.430 3.607 2.330 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 99 MET QG 1 132 ILE MD 7.140 . 7.140 5.694 4.466 6.288 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 99 MET QG 1 132 ILE QG 5.070 . 5.070 4.836 3.842 5.117 0.047 8 0 "[ . 1 . 2 . 3]" 1
1312 1 99 MET H 1 99 MET QG 4.850 . 4.850 3.143 2.486 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 99 MET H 1 100 LEU HA 5.240 . 5.240 4.982 4.625 5.241 0.001 9 0 "[ . 1 . 2 . 3]" 1
1314 1 99 MET H 1 100 LEU H 4.780 . 4.780 4.447 4.281 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 99 MET H 1 132 ILE HB 4.130 . 4.130 3.867 3.301 4.162 0.032 11 0 "[ . 1 . 2 . 3]" 1
1316 1 99 MET H 1 132 ILE MG 6.140 . 6.140 5.112 4.612 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 100 LEU HA 1 100 LEU HG 3.670 . 3.670 2.752 2.353 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 100 LEU HA 1 101 ASP H 3.580 . 3.580 2.106 1.981 2.228 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 100 LEU HA 1 132 ILE MD 5.590 . 5.590 4.253 3.791 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 100 LEU HA 1 134 THR HA 5.210 . 5.210 4.962 4.374 5.259 0.049 30 0 "[ . 1 . 2 . 3]" 1
1321 1 100 LEU QB 1 101 ASP H 4.030 . 4.030 3.762 2.860 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 100 LEU QB 1 102 LYS H 5.180 . 5.180 5.072 4.467 5.239 0.059 5 0 "[ . 1 . 2 . 3]" 1
1323 1 100 LEU HB3 1 101 ASP H 4.730 . 4.730 4.111 2.933 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 100 LEU HB2 1 101 ASP H 4.730 . 4.730 4.386 3.966 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 100 LEU QD 1 101 ASP H 5.870 . 5.870 2.732 2.054 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 100 LEU QD 1 102 LYS HA 7.320 . 7.320 3.812 3.004 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 100 LEU QD 1 102 LYS H 6.350 . 6.350 3.896 3.039 5.581 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 100 LEU QD 1 103 GLY H 7.570 . 7.570 5.329 4.576 6.583 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 100 LEU QD 1 134 THR HA 6.620 . 6.620 4.061 3.019 5.591 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 100 LEU QD 1 135 LEU H 6.090 . 6.090 3.800 2.825 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 100 LEU QD 1 137 PHE QE 8.880 . 8.880 4.251 2.522 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 100 LEU QD 1 137 PHE HZ 7.570 . 7.570 5.268 4.027 6.248 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 100 LEU HG 1 101 ASP H 4.050 . 4.050 3.629 3.073 4.197 0.147 28 0 "[ . 1 . 2 . 3]" 1
1334 1 100 LEU H 1 100 LEU HB3 3.690 . 3.690 2.613 2.383 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 100 LEU H 1 100 LEU HB2 3.690 . 3.690 2.513 2.094 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 100 LEU H 1 100 LEU MD1 5.480 . 5.480 4.115 2.004 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 100 LEU H 1 100 LEU MD2 5.480 . 5.480 4.213 4.129 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 100 LEU H 1 100 LEU HG 4.680 . 4.680 4.418 3.095 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 100 LEU H 1 101 ASP H 4.590 . 4.590 4.365 4.203 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 101 ASP HA 1 102 LYS H 2.840 . 2.840 2.077 2.006 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 101 ASP QB 1 102 LYS H 3.750 . 3.750 3.709 3.140 3.858 0.108 1 0 "[ . 1 . 2 . 3]" 1
1342 1 101 ASP QB 1 132 ILE MD 6.300 . 6.300 2.328 1.904 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 101 ASP QB 1 135 LEU H 4.440 . 4.440 4.124 3.782 4.493 0.053 11 0 "[ . 1 . 2 . 3]" 1
1344 1 101 ASP HB3 1 102 LYS H 4.550 . 4.550 4.120 3.237 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 101 ASP HB2 1 102 LYS H 4.550 . 4.550 4.260 4.117 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 101 ASP H 1 101 ASP HB3 4.060 . 4.060 2.704 2.411 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 101 ASP H 1 101 ASP HB2 4.060 . 4.060 2.864 2.461 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 101 ASP H 1 102 LYS QB 5.340 . 5.340 5.238 5.053 5.386 0.046 8 0 "[ . 1 . 2 . 3]" 1
1349 1 101 ASP H 1 102 LYS H 4.260 . 4.260 4.214 4.056 4.291 0.031 6 0 "[ . 1 . 2 . 3]" 1
1350 1 101 ASP H 1 132 ILE MD 5.360 . 5.360 3.377 2.994 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 101 ASP H 1 133 ILE H 4.890 . 4.890 3.945 3.509 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 101 ASP H 1 135 LEU H 4.680 . 4.680 4.314 3.986 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 102 LYS HA 1 102 LYS QG 3.400 . 3.400 3.388 2.410 3.442 0.042 29 0 "[ . 1 . 2 . 3]" 1
1354 1 102 LYS HA 1 103 GLY H 3.460 . 3.460 2.058 1.987 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 102 LYS HA 1 134 THR HA 5.500 . 5.500 3.974 3.691 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 102 LYS HA 1 135 LEU H 4.440 . 4.440 2.594 2.276 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
1357 1 102 LYS HA 1 136 ARG HA 4.900 . 4.900 3.995 3.566 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
1358 1 102 LYS HA 1 137 PHE QD 6.840 . 6.840 4.462 4.106 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 102 LYS HA 1 137 PHE QE 6.170 . 6.170 4.671 4.009 5.869 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 102 LYS QB 1 103 GLY H 3.810 . 3.810 2.966 2.692 3.821 0.011 1 0 "[ . 1 . 2 . 3]" 1
1361 1 102 LYS QB 1 137 PHE QE 5.310 . 5.310 2.361 1.876 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 102 LYS HB3 1 103 GLY H 4.430 . 4.430 4.097 3.848 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 102 LYS HB2 1 103 GLY H 4.430 . 4.430 3.053 2.748 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 102 LYS QD 1 103 GLY H 5.710 . 5.710 4.744 3.378 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 102 LYS QG 1 103 GLY H 3.630 . 3.630 3.687 3.073 3.822 0.192 18 0 "[ . 1 . 2 . 3]" 1
1366 1 102 LYS H 1 102 LYS QB 3.160 . 3.160 2.756 2.059 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 102 LYS H 1 102 LYS HB3 3.980 . 3.980 2.837 2.190 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 102 LYS H 1 102 LYS HB2 3.980 . 3.980 3.766 2.505 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 102 LYS H 1 102 LYS QD 4.570 . 4.570 1.948 1.728 3.952 0.072 10 0 "[ . 1 . 2 . 3]" 1
1370 1 102 LYS H 1 102 LYS QG 3.620 . 3.620 3.254 2.684 3.841 0.221 1 0 "[ . 1 . 2 . 3]" 1
1371 1 102 LYS H 1 102 LYS HG3 4.340 . 4.340 4.150 3.978 4.353 0.013 1 0 "[ . 1 . 2 . 3]" 1
1372 1 102 LYS H 1 102 LYS HG2 4.340 . 4.340 3.412 2.728 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 102 LYS H 1 103 GLY H 4.810 . 4.810 4.384 4.270 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 102 LYS H 1 137 PHE QE 7.620 . 7.620 5.286 4.652 6.248 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 103 GLY QA 1 104 ALA HA 5.280 . 5.280 3.974 3.870 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 103 GLY HA3 1 104 ALA H 3.520 . 3.520 2.529 2.147 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 103 GLY HA2 1 104 ALA H 3.520 . 3.520 3.479 3.008 3.541 0.021 5 0 "[ . 1 . 2 . 3]" 1
1378 1 103 GLY H 1 104 ALA H 4.220 . 4.220 2.757 2.155 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
1379 1 103 GLY H 1 137 PHE QD 6.830 . 6.830 4.906 4.050 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 103 GLY H 1 137 PHE QE 7.060 . 7.060 5.487 4.437 7.178 0.118 29 0 "[ . 1 . 2 . 3]" 1
1381 1 104 ALA HA 1 105 ASP HA 4.810 . 4.810 4.401 4.325 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 104 ALA HA 1 105 ASP H 2.750 . 2.750 2.177 2.099 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 104 ALA MB 1 105 ASP H 3.960 . 3.960 2.807 2.545 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 104 ALA H 1 105 ASP H 4.850 . 4.850 4.268 4.027 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 105 ASP HA 1 106 VAL HA 5.220 . 5.220 4.325 4.208 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 105 ASP HA 1 138 GLY QA 4.680 . 4.680 4.292 3.104 4.732 0.052 8 0 "[ . 1 . 2 . 3]" 1
1387 1 105 ASP HA 1 139 GLN QB 4.970 . 4.970 4.345 3.584 5.122 0.152 19 0 "[ . 1 . 2 . 3]" 1
1388 1 105 ASP HA 1 139 GLN QG 6.220 . 6.220 5.665 4.882 6.268 0.048 13 0 "[ . 1 . 2 . 3]" 1
1389 1 105 ASP HA 1 139 GLN H 4.980 . 4.980 4.728 3.048 5.152 0.172 27 0 "[ . 1 . 2 . 3]" 1
1390 1 105 ASP QB 1 106 VAL H 4.430 . 4.430 3.094 2.647 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 105 ASP QB 1 139 GLN HA 4.530 . 4.530 3.321 2.103 4.572 0.042 5 0 "[ . 1 . 2 . 3]" 1
1392 1 105 ASP QB 1 139 GLN QB 5.310 . 5.310 2.770 1.834 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 105 ASP QB 1 139 GLN H 5.270 . 5.270 4.118 3.235 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 105 ASP H 1 106 VAL H 4.730 . 4.730 4.361 4.177 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 106 VAL HA 1 107 ASP HA 4.520 . 4.520 4.319 4.222 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 106 VAL HA 1 107 ASP H 3.260 . 3.260 2.210 2.122 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 106 VAL HA 1 139 GLN QE 4.090 . 4.090 4.024 3.352 4.189 0.099 15 0 "[ . 1 . 2 . 3]" 1
1398 1 106 VAL HB 1 107 ASP H 4.460 . 4.460 4.056 3.707 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 106 VAL HB 1 138 GLY H 5.500 . 5.500 4.655 3.443 5.511 0.011 21 0 "[ . 1 . 2 . 3]" 1
1400 1 106 VAL HB 1 139 GLN H 4.700 . 4.700 3.992 3.259 4.718 0.018 27 0 "[ . 1 . 2 . 3]" 1
1401 1 106 VAL QG 1 107 ASP HA 6.210 . 6.210 4.047 3.920 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
1402 1 106 VAL QG 1 107 ASP H 5.470 . 5.470 2.568 2.087 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 106 VAL QG 1 108 ALA H 6.310 . 6.310 4.370 3.762 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 106 VAL QG 1 109 GLY H 7.560 . 7.560 5.713 5.041 6.257 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 106 VAL QG 1 139 GLN H 6.620 . 6.620 4.239 3.752 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 106 VAL MG1 1 139 GLN H 6.510 . 6.510 4.618 4.187 5.292 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 106 VAL MG2 1 139 GLN H 6.510 . 6.510 4.969 4.129 5.624 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 106 VAL H 1 106 VAL HB 3.850 . 3.850 2.604 2.477 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 106 VAL H 1 107 ASP H 4.810 . 4.810 4.413 4.180 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 106 VAL H 1 139 GLN QB 5.890 . 5.890 3.785 3.122 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 106 VAL H 1 139 GLN QE 4.630 . 4.630 4.107 3.400 4.672 0.042 21 0 "[ . 1 . 2 . 3]" 1
1412 1 106 VAL H 1 139 GLN H 4.320 . 4.320 3.335 2.135 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 107 ASP HA 1 108 ALA H 3.210 . 3.210 2.063 1.924 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 107 ASP HA 1 109 GLY H 4.070 . 4.070 3.905 3.148 4.181 0.111 17 0 "[ . 1 . 2 . 3]" 1
1415 1 107 ASP HA 1 139 GLN HE21 3.990 . 3.990 2.854 1.919 4.023 0.033 21 0 "[ . 1 . 2 . 3]" 1
1416 1 107 ASP HA 1 139 GLN HE22 3.990 . 3.990 3.704 2.520 4.077 0.087 13 0 "[ . 1 . 2 . 3]" 1
1417 1 107 ASP HA 1 139 GLN QG 5.450 . 5.450 3.046 1.840 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 107 ASP HA 1 139 GLN H 4.330 . 4.330 3.465 2.947 4.413 0.083 19 0 "[ . 1 . 2 . 3]" 1
1419 1 107 ASP QB 1 109 GLY H 6.220 . 6.220 5.036 3.395 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 107 ASP QB 1 139 GLN QE 4.850 . 4.850 3.084 2.141 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 107 ASP HB3 1 108 ALA H 4.610 . 4.610 4.124 3.359 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
1422 1 107 ASP HB2 1 108 ALA H 4.610 . 4.610 3.971 3.169 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 107 ASP H 1 107 ASP HB3 3.660 . 3.660 2.796 2.371 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 107 ASP H 1 107 ASP HB2 3.660 . 3.660 2.998 2.402 3.692 0.032 17 0 "[ . 1 . 2 . 3]" 1
1425 1 107 ASP H 1 108 ALA H 5.160 . 5.160 4.357 4.188 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 108 ALA MB 1 109 GLY H 4.520 . 4.520 2.403 2.002 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 108 ALA MB 1 138 GLY QA 4.850 . 4.850 2.758 1.869 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 108 ALA MB 1 138 GLY H 6.530 . 6.530 4.734 3.719 6.389 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 108 ALA MB 1 139 GLN H 5.560 . 5.560 3.384 2.690 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 108 ALA H 1 109 GLY H 3.470 . 3.470 2.087 1.779 2.386 0.021 27 0 "[ . 1 . 2 . 3]" 1
1431 1 108 ALA H 1 139 GLN QB 5.640 . 5.640 3.388 2.076 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 108 ALA H 1 139 GLN HB3 5.470 . 5.470 3.710 2.158 5.573 0.103 25 0 "[ . 1 . 2 . 3]" 1
1433 1 108 ALA H 1 139 GLN HB2 5.470 . 5.470 4.339 2.344 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 108 ALA H 1 139 GLN QE 5.340 . 5.340 4.244 2.961 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 108 ALA H 1 139 GLN QG 5.900 . 5.900 3.508 1.997 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 108 ALA H 1 139 GLN H 4.070 . 4.070 3.243 2.599 4.117 0.047 19 0 "[ . 1 . 2 . 3]" 1
1437 1 109 GLY QA 1 111 SER H 4.850 . 4.850 3.307 3.098 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 109 GLY H 1 110 GLY QA 5.630 . 5.630 4.568 4.141 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 109 GLY H 1 110 GLY H 4.010 . 4.010 3.930 2.995 4.124 0.114 17 0 "[ . 1 . 2 . 3]" 1
1440 1 109 GLY H 1 139 GLN HB3 5.500 . 5.500 4.455 2.071 5.559 0.059 5 0 "[ . 1 . 2 . 3]" 1
1441 1 109 GLY H 1 139 GLN HB2 5.500 . 5.500 4.996 3.173 5.591 0.091 23 0 "[ . 1 . 2 . 3]" 1
1442 1 109 GLY H 1 139 GLN QG 5.220 . 5.220 3.991 2.535 5.254 0.034 27 0 "[ . 1 . 2 . 3]" 1
1443 1 109 GLY H 1 139 GLN H 5.230 . 5.230 4.024 3.157 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 110 GLY H 1 111 SER H 3.570 . 3.570 2.790 2.627 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 111 SER QB 1 112 GLN H 5.020 . 5.020 2.997 2.828 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 111 SER H 1 111 SER QB 3.650 . 3.650 2.304 2.195 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 111 SER H 1 111 SER HB3 3.220 . 3.220 2.734 2.424 3.410 0.190 17 0 "[ . 1 . 2 . 3]" 1
1448 1 111 SER H 1 111 SER HB2 3.220 . 3.220 2.590 2.330 3.317 0.097 30 0 "[ . 1 . 2 . 3]" 1
1449 1 111 SER H 1 112 GLN QB 5.020 . 5.020 4.472 4.211 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 111 SER H 1 112 GLN QG 5.170 . 5.170 3.693 3.365 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 111 SER H 1 112 GLN HG3 5.020 . 5.020 4.928 4.083 5.134 0.114 26 0 "[ . 1 . 2 . 3]" 1
1452 1 111 SER H 1 112 GLN HG2 5.020 . 5.020 3.970 3.415 5.105 0.085 25 0 "[ . 1 . 2 . 3]" 1
1453 1 111 SER H 1 112 GLN H 3.480 . 3.480 2.446 2.267 2.609 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 112 GLN HA 1 112 GLN QE 5.050 . 5.050 3.190 2.227 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 112 GLN HA 1 112 GLN HE21 5.020 . 5.020 3.410 2.270 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 112 GLN HA 1 112 GLN HE22 5.020 . 5.020 4.056 3.226 5.116 0.096 21 0 "[ . 1 . 2 . 3]" 1
1457 1 112 GLN H 1 112 GLN QG 4.420 . 4.420 2.295 2.004 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 112 GLN H 1 112 GLN HG3 4.080 . 4.080 3.365 2.475 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 112 GLN H 1 112 GLN HG2 4.080 . 4.080 2.462 2.016 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 113 HIS HA 1 113 HIS HD2 4.290 . 4.290 2.920 2.218 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 113 HIS HA 1 114 ASN H 3.320 . 3.320 2.155 1.956 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 113 HIS QB 1 114 ASN H 4.960 . 4.960 3.481 2.079 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 113 HIS QB 1 115 ARG H 5.660 . 5.660 3.942 3.158 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 113 HIS HB3 1 114 ASN H 4.700 . 4.700 3.698 2.098 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
1465 1 113 HIS HB2 1 114 ASN H 4.700 . 4.700 4.351 3.385 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 113 HIS H 1 113 HIS HB3 4.190 . 4.190 4.118 4.064 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
1467 1 113 HIS H 1 113 HIS HB2 4.190 . 4.190 3.585 3.401 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 113 HIS H 1 114 ASN H 4.650 . 4.650 3.359 2.314 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 114 ASN HA 1 138 GLY H 4.550 . 4.550 3.959 3.302 4.670 0.120 2 0 "[ . 1 . 2 . 3]" 1
1470 1 114 ASN QB 1 138 GLY QA 4.650 . 4.650 2.916 1.882 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 114 ASN HB3 1 115 ARG H 5.460 . 5.460 4.216 3.689 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 114 ASN HB2 1 115 ARG H 5.460 . 5.460 4.270 3.810 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 114 ASN H 1 115 ARG H 3.980 . 3.980 3.796 3.112 4.039 0.059 7 0 "[ . 1 . 2 . 3]" 1
1474 1 115 ARG HA 1 116 VAL HA 4.550 . 4.550 4.348 4.149 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 115 ARG HA 1 116 VAL HB 5.500 . 5.500 4.762 4.366 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 115 ARG HA 1 116 VAL H 3.630 . 3.630 2.337 2.026 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 115 ARG HA 1 137 PHE QD 7.030 . 7.030 4.656 3.327 5.675 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 115 ARG QG 1 116 VAL H 5.030 . 5.030 3.853 3.342 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 115 ARG H 1 115 ARG QD 6.220 . 6.220 3.957 2.741 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 115 ARG H 1 115 ARG HG3 4.120 . 4.120 2.726 2.070 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 115 ARG H 1 115 ARG HG2 4.120 . 4.120 3.049 1.792 4.123 0.008 27 0 "[ . 1 . 2 . 3]" 1
1482 1 115 ARG H 1 116 VAL H 4.680 . 4.680 4.507 4.409 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 115 ARG H 1 138 GLY QA 5.300 . 5.300 3.902 3.204 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 116 VAL HA 1 118 TYR H 4.410 . 4.410 3.965 3.669 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 116 VAL HA 1 137 PHE HA 4.240 . 4.240 2.228 1.911 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 116 VAL HA 1 138 GLY H 4.880 . 4.880 3.423 2.797 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 116 VAL QG 1 117 VAL H 5.720 . 5.720 2.590 2.354 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 116 VAL QG 1 118 TYR QB 6.710 . 6.710 4.414 4.182 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 116 VAL QG 1 118 TYR QD 9.170 . 9.170 5.215 4.916 5.764 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 116 VAL QG 1 118 TYR H 5.790 . 5.790 2.676 2.345 3.280 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 116 VAL QG 1 119 GLN HA 6.410 . 6.410 3.922 3.500 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 116 VAL QG 1 119 GLN QB 6.260 . 6.260 2.887 2.434 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 116 VAL QG 1 119 GLN H 6.630 . 6.630 4.112 3.741 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 116 VAL QG 1 136 ARG H 6.070 . 6.070 3.201 2.832 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
1495 1 116 VAL QG 1 137 PHE HA 6.250 . 6.250 3.353 3.025 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 116 VAL MG1 1 117 VAL H 5.200 . 5.200 2.868 2.588 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 116 VAL MG1 1 118 TYR H 5.900 . 5.900 3.022 2.437 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 116 VAL MG2 1 117 VAL H 5.200 . 5.200 3.737 2.388 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 116 VAL MG2 1 118 TYR H 5.900 . 5.900 4.504 2.358 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 116 VAL H 1 116 VAL HB 3.710 . 3.710 2.485 2.359 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 116 VAL H 1 137 PHE QD 7.450 . 7.450 4.979 3.859 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 117 VAL HB 1 118 TYR QD 7.640 . 7.640 5.836 5.254 7.059 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 117 VAL HB 1 118 TYR H 3.970 . 3.970 3.506 2.318 4.020 0.050 19 0 "[ . 1 . 2 . 3]" 1
1504 1 117 VAL QG 1 118 TYR QD 8.470 . 8.470 4.334 4.028 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 117 VAL QG 1 118 TYR H 5.800 . 5.800 2.624 2.235 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 117 VAL QG 1 136 ARG H 5.990 . 5.990 4.434 4.030 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 117 VAL QG 1 138 GLY H 7.030 . 7.030 3.058 2.362 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 117 VAL H 1 117 VAL HB 4.180 . 4.180 3.285 2.453 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
1509 1 117 VAL H 1 118 TYR HA 4.740 . 4.740 4.713 4.625 4.777 0.037 3 0 "[ . 1 . 2 . 3]" 1
1510 1 117 VAL H 1 118 TYR H 3.610 . 3.610 2.109 1.944 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 117 VAL H 1 136 ARG H 4.660 . 4.660 4.269 4.057 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 117 VAL H 1 137 PHE HA 4.210 . 4.210 2.271 1.952 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
1513 1 117 VAL H 1 138 GLY H 4.840 . 4.840 4.081 3.638 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 118 TYR HA 1 119 GLN HA 5.270 . 5.270 4.378 4.324 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 118 TYR HA 1 119 GLN H 3.190 . 3.190 2.170 2.099 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 118 TYR QB 1 119 GLN H 4.280 . 4.280 3.611 3.472 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 118 TYR QB 1 136 ARG QD 4.330 . 4.330 2.495 2.039 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 118 TYR QB 1 136 ARG H 4.960 . 4.960 3.802 3.368 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 118 TYR QD 1 119 GLN QG 7.990 . 7.990 4.718 4.307 5.560 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 118 TYR QD 1 119 GLN H 5.810 . 5.810 3.302 2.887 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 118 TYR QD 1 120 ASN H 6.440 . 6.440 4.437 3.975 5.076 . 0 0 "[ . 1 . 2 . 3]" 1
1522 1 118 TYR QD 1 135 LEU HA 6.620 . 6.620 4.345 3.249 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 118 TYR QD 1 136 ARG HA 7.360 . 7.360 5.963 5.127 6.570 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 118 TYR QD 1 136 ARG QB 7.210 . 7.210 4.114 2.832 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 118 TYR QD 1 136 ARG QD 6.950 . 6.950 2.933 2.138 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 118 TYR QD 1 136 ARG QG 6.510 . 6.510 2.595 1.995 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 118 TYR QD 1 136 ARG HG3 6.170 . 6.170 3.846 2.566 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
1528 1 118 TYR QD 1 136 ARG HG2 6.170 . 6.170 2.785 2.005 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 118 TYR QD 1 136 ARG H 5.990 . 5.990 4.044 3.165 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 118 TYR QE 1 119 GLN H 6.600 . 6.600 4.299 4.058 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 118 TYR QE 1 120 ASN HA 7.100 . 7.100 2.938 2.208 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
1532 1 118 TYR QE 1 120 ASN QB 5.850 . 5.850 3.529 2.561 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 118 TYR QE 1 120 ASN QD 5.960 . 5.960 4.193 2.713 6.001 0.041 17 0 "[ . 1 . 2 . 3]" 1
1534 1 118 TYR QE 1 120 ASN HD21 6.770 . 6.770 4.479 2.759 6.734 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 118 TYR QE 1 120 ASN HD22 6.770 . 6.770 5.409 4.012 6.781 0.011 26 0 "[ . 1 . 2 . 3]" 1
1536 1 118 TYR QE 1 120 ASN H 6.310 . 6.310 4.356 3.613 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 118 TYR QE 1 135 LEU HA 6.970 . 6.970 5.447 4.211 6.241 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 118 TYR QE 1 136 ARG QB 8.220 . 8.220 5.793 4.918 6.618 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 118 TYR QE 1 136 ARG QD 7.690 . 7.690 4.565 3.382 5.757 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 118 TYR QE 1 136 ARG QG 7.070 . 7.070 4.651 3.987 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 118 TYR QE 1 136 ARG HG3 6.790 . 6.790 5.999 4.094 6.588 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 118 TYR QE 1 136 ARG HG2 6.790 . 6.790 4.961 4.182 6.800 0.010 20 0 "[ . 1 . 2 . 3]" 1
1543 1 118 TYR QE 1 136 ARG H 6.670 . 6.670 5.954 5.168 6.479 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 118 TYR H 1 119 GLN H 4.570 . 4.570 4.176 4.095 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 118 TYR H 1 136 ARG QG 5.280 . 5.280 2.942 2.444 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 118 TYR H 1 136 ARG H 4.120 . 4.120 3.247 3.000 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 118 TYR H 1 137 PHE HA 4.340 . 4.340 3.943 3.658 4.449 0.109 29 0 "[ . 1 . 2 . 3]" 1
1548 1 119 GLN HA 1 120 ASN HA 4.480 . 4.480 4.246 4.175 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
1549 1 119 GLN HA 1 120 ASN H 3.270 . 3.270 2.237 2.139 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 119 GLN HA 1 135 LEU QB 4.100 . 4.100 2.445 2.145 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 119 GLN HA 1 135 LEU QD 6.290 . 6.290 3.990 3.533 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 119 GLN QE 1 123 ALA MB 6.870 . 6.870 3.313 2.498 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 119 GLN QE 1 123 ALA H 5.210 . 5.210 3.323 2.537 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1554 1 119 GLN QG 1 123 ALA H 5.320 . 5.320 4.100 3.448 5.322 0.002 18 0 "[ . 1 . 2 . 3]" 1
1555 1 119 GLN H 1 119 GLN QG 4.410 . 4.410 2.236 2.018 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 119 GLN H 1 120 ASN H 4.510 . 4.510 4.316 4.168 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
1557 1 119 GLN H 1 135 LEU QD 7.570 . 7.570 5.426 4.908 5.861 . 0 0 "[ . 1 . 2 . 3]" 1
1558 1 120 ASN HA 1 120 ASN QD 4.000 . 4.000 3.126 1.948 4.049 0.049 21 0 "[ . 1 . 2 . 3]" 1
1559 1 120 ASN HA 1 120 ASN HD21 4.600 . 4.600 3.292 1.957 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 120 ASN HA 1 120 ASN HD22 4.600 . 4.600 4.146 3.512 4.666 0.066 26 0 "[ . 1 . 2 . 3]" 1
1561 1 120 ASN QB 1 120 ASN QD 3.030 . 3.030 2.239 2.064 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 120 ASN QB 1 121 PRO QD 4.500 . 4.500 1.889 1.809 2.001 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 120 ASN QB 1 134 THR MG 4.630 . 4.630 2.322 1.920 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 120 ASN QB 1 134 THR H 4.450 . 4.450 3.354 2.563 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 120 ASN QD 1 121 PRO QD 4.990 . 4.990 4.018 2.548 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 120 ASN HD21 1 134 THR MG 5.540 . 5.540 3.964 2.548 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 120 ASN HD22 1 134 THR MG 5.540 . 5.540 4.717 3.899 5.594 0.054 3 0 "[ . 1 . 2 . 3]" 1
1568 1 120 ASN H 1 120 ASN QB 3.330 . 3.330 2.341 2.275 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 120 ASN H 1 120 ASN QD 4.620 . 4.620 4.492 4.302 4.638 0.018 11 0 "[ . 1 . 2 . 3]" 1
1570 1 120 ASN H 1 121 PRO QD 4.690 . 4.690 2.501 2.326 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 120 ASN H 1 134 THR H 4.890 . 4.890 4.135 3.542 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 120 ASN H 1 135 LEU QB 3.810 . 3.810 3.590 3.053 3.873 0.063 20 0 "[ . 1 . 2 . 3]" 1
1573 1 120 ASN H 1 136 ARG H 5.080 . 5.080 4.827 4.261 5.102 0.022 20 0 "[ . 1 . 2 . 3]" 1
1574 1 121 PRO QD 1 134 THR H 4.810 . 4.810 2.765 2.445 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
1575 1 122 PRO HA 1 123 ALA HA 4.680 . 4.680 4.343 4.290 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 122 PRO HA 1 123 ALA H 3.200 . 3.200 2.285 2.159 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
1577 1 122 PRO QB 1 123 ALA H 4.230 . 4.230 2.835 2.693 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
1578 1 122 PRO HB3 1 123 ALA H 4.080 . 4.080 3.231 2.998 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
1579 1 122 PRO HB2 1 123 ALA H 4.080 . 4.080 3.201 2.797 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 123 ALA HA 1 124 GLY QA 5.850 . 5.850 3.938 3.907 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 123 ALA HA 1 124 GLY H 3.490 . 3.490 2.194 2.152 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 123 ALA HA 1 125 THR H 3.830 . 3.830 3.186 2.860 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 123 ALA MB 1 124 GLY H 4.470 . 4.470 2.932 2.723 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
1584 1 123 ALA MB 1 125 THR H 5.680 . 5.680 4.330 4.121 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 123 ALA H 1 124 GLY H 4.610 . 4.610 4.571 4.531 4.618 0.008 26 0 "[ . 1 . 2 . 3]" 1
1586 1 124 GLY H 1 125 THR H 3.720 . 3.720 2.396 2.266 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 125 THR HA 1 126 GLY H 2.760 . 2.760 2.330 2.199 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 125 THR HB 1 126 GLY H 4.110 . 4.110 3.861 3.485 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 125 THR MG 1 126 GLY H 3.950 . 3.950 2.345 1.868 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 125 THR MG 1 127 VAL HA 5.790 . 5.790 4.400 3.863 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 125 THR MG 1 127 VAL H 6.220 . 6.220 4.656 3.725 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 125 THR H 1 125 THR HB 3.570 . 3.570 2.518 2.397 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 125 THR H 1 125 THR MG 4.800 . 4.800 3.623 1.974 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 125 THR H 1 126 GLY H 4.660 . 4.660 4.541 4.474 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 126 GLY QA 1 127 VAL QG 6.890 . 6.890 3.220 3.177 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
1596 1 126 GLY H 1 127 VAL QG 5.370 . 5.370 4.384 3.968 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 126 GLY H 1 127 VAL MG1 6.510 . 6.510 4.586 4.085 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 126 GLY H 1 127 VAL MG2 6.510 . 6.510 5.580 5.384 5.702 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 126 GLY H 1 127 VAL H 4.830 . 4.830 4.430 4.300 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 127 VAL HA 1 128 ASN HA 4.460 . 4.460 4.307 4.255 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 127 VAL HA 1 128 ASN H 2.900 . 2.900 2.219 2.130 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
1602 1 127 VAL HB 1 128 ASN H 3.900 . 3.900 2.868 2.793 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 127 VAL HB 1 131 GLY H 4.220 . 4.220 4.153 3.852 4.259 0.039 13 0 "[ . 1 . 2 . 3]" 1
1604 1 127 VAL QG 1 128 ASN H 4.800 . 4.800 3.373 3.310 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
1605 1 127 VAL QG 1 131 GLY H 5.220 . 5.220 3.759 3.459 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 127 VAL QG 1 132 ILE H 6.240 . 6.240 4.281 3.858 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 127 VAL H 1 127 VAL MG1 4.640 . 4.640 2.880 2.675 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 127 VAL H 1 127 VAL MG2 4.640 . 4.640 2.116 2.018 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
1609 1 127 VAL H 1 128 ASN H 4.510 . 4.510 4.425 4.348 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1610 1 128 ASN HA 1 129 ARG H 3.590 . 3.590 2.404 2.264 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
1611 1 128 ASN QB 1 129 ARG QG 5.630 . 5.630 3.226 2.877 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 128 ASN QB 1 129 ARG H 3.870 . 3.870 2.238 2.053 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
1613 1 128 ASN QB 1 130 ASP H 3.030 . 3.030 2.938 2.618 3.073 0.043 21 0 "[ . 1 . 2 . 3]" 1
1614 1 128 ASN QB 1 131 GLY H 3.940 . 3.940 3.914 3.545 4.011 0.071 23 0 "[ . 1 . 2 . 3]" 1
1615 1 128 ASN QB 1 132 ILE H 5.260 . 5.260 4.688 4.400 5.101 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 128 ASN HB3 1 129 ARG H 4.730 . 4.730 3.653 3.249 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 128 ASN HB2 1 129 ARG H 4.730 . 4.730 2.259 2.069 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 128 ASN QD 1 130 ASP H 4.920 . 4.920 3.088 2.679 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
1619 1 128 ASN QD 1 131 GLY H 4.870 . 4.870 3.747 3.112 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
1620 1 128 ASN HD21 1 130 ASP H 4.650 . 4.650 3.435 2.705 4.762 0.112 15 0 "[ . 1 . 2 . 3]" 1
1621 1 128 ASN HD21 1 131 GLY H 4.660 . 4.660 4.543 3.211 4.880 0.220 13 0 "[ . 1 . 2 . 3]" 1
1622 1 128 ASN HD22 1 130 ASP H 4.650 . 4.650 3.547 3.029 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
1623 1 128 ASN HD22 1 131 GLY H 4.660 . 4.660 4.013 3.828 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 128 ASN H 1 128 ASN QB 3.130 . 3.130 2.446 2.375 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 128 ASN H 1 128 ASN HB3 3.770 . 3.770 2.491 2.412 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 128 ASN H 1 128 ASN HB2 3.770 . 3.770 3.581 3.545 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
1627 1 128 ASN H 1 128 ASN QD 4.860 . 4.860 3.936 2.163 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1628 1 128 ASN H 1 128 ASN HD21 4.590 . 4.590 4.365 2.182 4.623 0.033 29 0 "[ . 1 . 2 . 3]" 1
1629 1 128 ASN H 1 128 ASN HD22 4.590 . 4.590 4.514 3.541 4.691 0.101 4 0 "[ . 1 . 2 . 3]" 1
1630 1 128 ASN H 1 129 ARG H 4.920 . 4.920 4.608 4.555 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
1631 1 128 ASN H 1 130 ASP H 5.100 . 5.100 4.997 4.740 5.145 0.045 8 0 "[ . 1 . 2 . 3]" 1
1632 1 128 ASN H 1 131 GLY H 4.410 . 4.410 4.219 3.952 4.465 0.055 15 0 "[ . 1 . 2 . 3]" 1
1633 1 129 ARG HA 1 129 ARG HE 4.710 . 4.710 4.501 3.877 4.814 0.104 24 0 "[ . 1 . 2 . 3]" 1
1634 1 129 ARG HA 1 131 GLY H 4.140 . 4.140 3.759 3.460 4.147 0.007 19 0 "[ . 1 . 2 . 3]" 1
1635 1 129 ARG QB 1 129 ARG HE 4.280 . 4.280 2.167 1.841 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
1636 1 129 ARG QD 1 130 ASP HA 6.220 . 6.220 5.035 3.249 6.028 . 0 0 "[ . 1 . 2 . 3]" 1
1637 1 129 ARG QD 1 130 ASP H 5.750 . 5.750 4.155 2.150 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
1638 1 129 ARG QG 1 130 ASP H 4.410 . 4.410 2.633 2.210 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 129 ARG H 1 129 ARG QD 5.570 . 5.570 3.867 2.570 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
1640 1 129 ARG H 1 129 ARG HD3 5.470 . 5.470 4.483 2.628 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
1641 1 129 ARG H 1 129 ARG HD2 5.470 . 5.470 4.319 3.637 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
1642 1 129 ARG H 1 129 ARG HE 5.050 . 5.050 4.642 3.391 5.153 0.103 1 0 "[ . 1 . 2 . 3]" 1
1643 1 129 ARG H 1 130 ASP H 3.730 . 3.730 2.824 2.689 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1644 1 129 ARG H 1 131 GLY H 4.460 . 4.460 4.054 3.961 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 130 ASP HA 1 131 GLY H 3.480 . 3.480 3.374 3.290 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
1646 1 130 ASP HA 1 132 ILE H 4.730 . 4.730 4.628 4.327 4.772 0.042 27 0 "[ . 1 . 2 . 3]" 1
1647 1 130 ASP QB 1 131 GLY H 4.700 . 4.700 3.217 2.963 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 130 ASP QB 1 132 ILE H 5.660 . 5.660 3.109 2.627 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
1649 1 130 ASP HB3 1 131 GLY H 4.570 . 4.570 3.812 3.052 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
1650 1 130 ASP HB2 1 131 GLY H 4.570 . 4.570 3.703 3.062 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
1651 1 130 ASP H 1 131 GLY QA 5.500 . 5.500 4.215 4.037 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1652 1 130 ASP H 1 131 GLY H 3.180 . 3.180 2.324 2.122 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
1653 1 131 GLY H 1 132 ILE HB 4.690 . 4.690 4.689 4.547 4.759 0.069 29 0 "[ . 1 . 2 . 3]" 1
1654 1 131 GLY H 1 132 ILE MG 5.680 . 5.680 4.177 3.737 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1655 1 131 GLY H 1 132 ILE H 3.570 . 3.570 2.650 2.447 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
1656 1 132 ILE HA 1 133 ILE HA 4.660 . 4.660 4.287 4.224 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
1657 1 132 ILE HA 1 133 ILE MG 4.620 . 4.620 3.677 3.287 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
1658 1 132 ILE HA 1 133 ILE H 2.970 . 2.970 2.038 1.967 2.096 . 0 0 "[ . 1 . 2 . 3]" 1
1659 1 132 ILE HB 1 133 ILE H 4.730 . 4.730 4.292 4.201 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
1660 1 132 ILE MD 1 133 ILE HA 5.260 . 5.260 3.155 3.002 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1661 1 132 ILE MD 1 133 ILE H 4.930 . 4.930 2.517 2.339 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1662 1 132 ILE MD 1 134 THR HB 5.490 . 5.490 3.508 2.869 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
1663 1 132 ILE MD 1 134 THR H 5.220 . 5.220 3.674 3.385 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
1664 1 132 ILE QG 1 133 ILE H 3.960 . 3.960 3.220 3.015 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
1665 1 132 ILE H 1 132 ILE HB 2.700 . 2.700 2.467 2.341 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1666 1 132 ILE H 1 132 ILE QG 4.020 . 4.020 4.031 3.965 4.067 0.047 13 0 "[ . 1 . 2 . 3]" 1
1667 1 132 ILE H 1 132 ILE MG 3.870 . 3.870 2.224 2.014 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
1668 1 132 ILE H 1 133 ILE H 4.660 . 4.660 4.420 4.337 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
1669 1 133 ILE HA 1 134 THR HB 4.590 . 4.590 4.456 4.218 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
1670 1 133 ILE HA 1 134 THR H 3.250 . 3.250 2.123 2.049 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
1671 1 133 ILE HB 1 134 THR H 4.030 . 4.030 3.279 2.960 4.069 0.039 11 0 "[ . 1 . 2 . 3]" 1
1672 1 133 ILE MD 1 134 THR H 4.650 . 4.650 3.956 2.787 4.749 0.099 22 0 "[ . 1 . 2 . 3]" 1
1673 1 133 ILE MD 1 135 LEU H 5.360 . 5.360 4.254 3.192 5.365 0.005 1 0 "[ . 1 . 2 . 3]" 1
1674 1 133 ILE MG 1 134 THR HA 6.530 . 6.530 5.244 4.245 5.584 . 0 0 "[ . 1 . 2 . 3]" 1
1675 1 133 ILE MG 1 134 THR H 5.440 . 5.440 3.857 3.504 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
1676 1 133 ILE H 1 133 ILE HB 3.970 . 3.970 3.680 3.154 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1677 1 133 ILE H 1 133 ILE MD 4.700 . 4.700 3.603 2.765 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
1678 1 133 ILE H 1 133 ILE MG 4.020 . 4.020 2.812 2.155 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
1679 1 133 ILE H 1 134 THR H 4.380 . 4.380 4.295 4.208 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1680 1 134 THR HA 1 135 LEU QB 5.010 . 5.010 4.260 3.970 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1681 1 134 THR HA 1 135 LEU H 3.590 . 3.590 2.146 2.069 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
1682 1 134 THR HB 1 135 LEU H 4.640 . 4.640 4.174 4.008 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
1683 1 134 THR H 1 134 THR MG 4.650 . 4.650 2.434 1.994 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
1684 1 134 THR H 1 135 LEU HA 5.130 . 5.130 5.002 4.849 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
1685 1 134 THR H 1 135 LEU QB 4.710 . 4.710 4.737 4.522 4.787 0.077 29 0 "[ . 1 . 2 . 3]" 1
1686 1 134 THR H 1 135 LEU H 4.400 . 4.400 4.362 4.232 4.412 0.012 2 0 "[ . 1 . 2 . 3]" 1
1687 1 135 LEU HA 1 136 ARG HA 5.120 . 5.120 4.411 4.357 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
1688 1 135 LEU HA 1 136 ARG H 3.430 . 3.430 2.416 2.340 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1689 1 135 LEU QB 1 136 ARG H 3.930 . 3.930 2.348 2.175 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
1690 1 135 LEU QD 1 136 ARG H 6.320 . 6.320 3.324 2.954 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
1691 1 135 LEU H 1 135 LEU HG 3.970 . 3.970 3.112 2.490 4.119 0.149 18 0 "[ . 1 . 2 . 3]" 1
1692 1 135 LEU H 1 136 ARG H 4.640 . 4.640 4.406 4.337 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1693 1 136 ARG HA 1 137 PHE HA 5.500 . 5.500 4.367 4.291 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1694 1 136 ARG HA 1 137 PHE QD 6.300 . 6.300 3.122 2.676 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
1695 1 136 ARG QG 1 137 PHE H 5.450 . 5.450 3.995 3.799 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1696 1 136 ARG H 1 136 ARG QD 5.280 . 5.280 4.253 3.894 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1697 1 136 ARG H 1 136 ARG QG 4.470 . 4.470 2.361 2.080 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
1698 1 136 ARG H 1 136 ARG HG3 4.240 . 4.240 3.165 2.751 3.430 . 0 0 "[ . 1 . 2 . 3]" 1
1699 1 136 ARG H 1 136 ARG HG2 4.240 . 4.240 2.536 2.106 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
1700 1 136 ARG H 1 137 PHE QB 5.340 . 5.340 4.570 4.305 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
1701 1 136 ARG H 1 137 PHE QD 7.360 . 7.360 4.887 4.543 5.575 . 0 0 "[ . 1 . 2 . 3]" 1
1702 1 136 ARG H 1 137 PHE H 4.710 . 4.710 4.343 4.287 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
1703 1 137 PHE HA 1 138 GLY QA 4.410 . 4.410 3.887 3.796 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
1704 1 137 PHE HB3 1 138 GLY H 4.730 . 4.730 3.755 3.306 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1705 1 137 PHE HB2 1 138 GLY H 4.730 . 4.730 2.471 2.279 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
1706 1 137 PHE QD 1 138 GLY H 6.740 . 6.740 3.338 1.781 3.657 0.019 29 0 "[ . 1 . 2 . 3]" 1
1707 1 137 PHE QE 1 138 GLY H 7.620 . 7.620 5.359 4.016 5.707 . 0 0 "[ . 1 . 2 . 3]" 1
1708 1 138 GLY H 1 139 GLN H 4.870 . 4.870 4.370 3.789 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1709 1 139 GLN HA 1 139 GLN QE 4.180 . 4.180 3.771 2.297 4.292 0.112 2 0 "[ . 1 . 2 . 3]" 1
1710 1 139 GLN H 1 139 GLN HB3 4.170 . 4.170 2.654 2.172 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1711 1 139 GLN H 1 139 GLN HB2 4.170 . 4.170 2.990 2.221 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1712 1 139 GLN H 1 139 GLN QG 4.940 . 4.940 3.318 1.816 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
1713 1 139 GLN H 1 139 GLN HG3 4.660 . 4.660 4.171 3.019 4.727 0.067 3 0 "[ . 1 . 2 . 3]" 1
1714 1 139 GLN H 1 139 GLN HG2 4.660 . 4.660 3.607 1.827 4.681 0.021 22 0 "[ . 1 . 2 . 3]" 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 92
_Distance_constraint_stats_list.Viol_count 401
_Distance_constraint_stats_list.Viol_total 257.711
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0100
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0214
_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 LYS 0.558 0.055 22 0 "[ . 1 . 2 . 3]"
1 10 ILE 0.100 0.052 16 0 "[ . 1 . 2 . 3]"
1 16 GLN 0.028 0.018 6 0 "[ . 1 . 2 . 3]"
1 17 THR 0.362 0.059 27 0 "[ . 1 . 2 . 3]"
1 18 VAL 0.030 0.023 16 0 "[ . 1 . 2 . 3]"
1 19 ASP 0.014 0.014 10 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.097 0.024 28 0 "[ . 1 . 2 . 3]"
1 21 ALA 0.367 0.059 27 0 "[ . 1 . 2 . 3]"
1 22 GLN 0.033 0.023 16 0 "[ . 1 . 2 . 3]"
1 23 LYS 0.042 0.027 29 0 "[ . 1 . 2 . 3]"
1 24 ASN 0.097 0.024 28 0 "[ . 1 . 2 . 3]"
1 25 LEU 0.729 0.084 20 0 "[ . 1 . 2 . 3]"
1 26 ASN 0.177 0.062 27 0 "[ . 1 . 2 . 3]"
1 27 VAL 0.028 0.027 29 0 "[ . 1 . 2 . 3]"
1 28 TYR 0.723 0.084 20 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.174 0.062 27 0 "[ . 1 . 2 . 3]"
1 32 LYS 0.383 0.045 14 0 "[ . 1 . 2 . 3]"
1 34 SER 0.406 0.041 27 0 "[ . 1 . 2 . 3]"
1 36 ALA 0.916 0.066 11 0 "[ . 1 . 2 . 3]"
1 38 VAL 0.419 0.054 21 0 "[ . 1 . 2 . 3]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 43 PRO 0.134 0.034 20 0 "[ . 1 . 2 . 3]"
1 46 GLU 0.134 0.034 20 0 "[ . 1 . 2 . 3]"
1 47 VAL 0.028 0.018 6 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.131 0.046 5 0 "[ . 1 . 2 . 3]"
1 50 THR 0.554 0.043 14 0 "[ . 1 . 2 . 3]"
1 51 ASN 0.147 0.038 8 0 "[ . 1 . 2 . 3]"
1 52 PRO 0.554 0.043 14 0 "[ . 1 . 2 . 3]"
1 53 PRO 0.456 0.056 11 0 "[ . 1 . 2 . 3]"
1 56 THR 0.556 0.056 11 0 "[ . 1 . 2 . 3]"
1 58 VAL 0.558 0.055 22 0 "[ . 1 . 2 . 3]"
1 59 PRO 0.004 0.004 29 0 "[ . 1 . 2 . 3]"
1 62 SER 0.004 0.004 29 0 "[ . 1 . 2 . 3]"
1 64 ILE 0.391 0.045 14 0 "[ . 1 . 2 . 3]"
1 65 GLU 0.147 0.038 8 0 "[ . 1 . 2 . 3]"
1 66 LEU 0.449 0.041 27 0 "[ . 1 . 2 . 3]"
1 67 GLN 0.131 0.046 5 0 "[ . 1 . 2 . 3]"
1 68 VAL 1.051 0.066 11 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.232 0.034 6 0 "[ . 1 . 2 . 3]"
1 74 PHE 0.063 0.032 19 0 "[ . 1 . 2 . 3]"
1 76 MET 0.031 0.014 26 0 "[ . 1 . 2 . 3]"
1 82 MET 0.395 0.043 2 0 "[ . 1 . 2 . 3]"
1 83 PHE 0.015 0.008 14 0 "[ . 1 . 2 . 3]"
1 84 TRP 0.063 0.031 28 0 "[ . 1 . 2 . 3]"
1 86 ASP 0.678 0.099 11 0 "[ . 1 . 2 . 3]"
1 87 ALA 0.169 0.075 8 0 "[ . 1 . 2 . 3]"
1 88 GLU 0.063 0.031 28 0 "[ . 1 . 2 . 3]"
1 89 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 90 ARG 0.667 0.099 11 0 "[ . 1 . 2 . 3]"
1 91 LEU 0.221 0.075 8 0 "[ . 1 . 2 . 3]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 94 LEU 0.003 0.003 28 0 "[ . 1 . 2 . 3]"
1 96 TRP 0.052 0.029 13 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.097 0.027 23 0 "[ . 1 . 2 . 3]"
1 113 HIS 0.606 0.093 3 0 "[ . 1 . 2 . 3]"
1 115 ARG 0.508 0.093 3 0 "[ . 1 . 2 . 3]"
1 116 VAL 0.395 0.043 2 0 "[ . 1 . 2 . 3]"
1 117 VAL 0.021 0.021 29 0 "[ . 1 . 2 . 3]"
1 119 GLN 0.357 0.069 12 0 "[ . 1 . 2 . 3]"
1 121 PRO 0.357 0.069 12 0 "[ . 1 . 2 . 3]"
1 122 PRO 0.448 0.065 8 0 "[ . 1 . 2 . 3]"
1 124 GLY 0.014 0.008 22 0 "[ . 1 . 2 . 3]"
1 125 THR 0.465 0.065 8 0 "[ . 1 . 2 . 3]"
1 127 VAL 0.063 0.032 19 0 "[ . 1 . 2 . 3]"
1 128 ASN 0.036 0.016 23 0 "[ . 1 . 2 . 3]"
1 131 GLY 0.036 0.016 23 0 "[ . 1 . 2 . 3]"
1 136 ARG 0.021 0.021 29 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LYS H 1 58 VAL O 2.300 . 2.300 1.802 1.745 2.039 0.055 22 0 "[ . 1 . 2 . 3]" 2
2 1 8 LYS N 1 58 VAL O 3.300 . 3.300 2.753 2.696 2.949 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 10 ILE H 1 56 THR O 2.300 . 2.300 2.107 1.852 2.352 0.052 16 0 "[ . 1 . 2 . 3]" 2
4 1 10 ILE N 1 56 THR O 3.300 . 3.300 3.064 2.830 3.300 0.000 2 0 "[ . 1 . 2 . 3]" 2
5 1 17 THR O 1 21 ALA H 2.300 . 2.300 1.793 1.741 1.828 0.059 27 0 "[ . 1 . 2 . 3]" 2
6 1 17 THR O 1 21 ALA N 3.300 . 3.300 2.753 2.689 2.799 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 18 VAL O 1 22 GLN H 2.300 . 2.300 1.858 1.777 2.037 0.023 16 0 "[ . 1 . 2 . 3]" 2
8 1 18 VAL O 1 22 GLN N 3.300 . 3.300 2.809 2.733 2.973 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 19 ASP O 1 23 LYS H 2.300 . 2.300 1.966 1.786 2.298 0.014 10 0 "[ . 1 . 2 . 3]" 2
10 1 19 ASP O 1 23 LYS N 3.300 . 3.300 2.915 2.737 3.241 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 20 VAL O 1 24 ASN H 2.300 . 2.300 1.844 1.776 1.977 0.024 28 0 "[ . 1 . 2 . 3]" 2
12 1 20 VAL O 1 24 ASN N 3.300 . 3.300 2.753 2.673 2.866 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 21 ALA O 1 25 LEU H 2.300 . 2.300 1.923 1.795 2.141 0.005 26 0 "[ . 1 . 2 . 3]" 2
14 1 21 ALA O 1 25 LEU N 3.300 . 3.300 2.855 2.715 3.099 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 22 GLN O 1 26 ASN H 2.300 . 2.300 2.034 1.797 2.210 0.003 21 0 "[ . 1 . 2 . 3]" 2
16 1 22 GLN O 1 26 ASN N 3.300 . 3.300 2.936 2.682 3.116 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 23 LYS O 1 27 VAL H 2.300 . 2.300 2.072 1.852 2.327 0.027 29 0 "[ . 1 . 2 . 3]" 2
18 1 23 LYS O 1 27 VAL N 3.300 . 3.300 2.946 2.754 3.137 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 25 LEU O 1 28 TYR H 2.300 . 2.300 2.304 2.026 2.384 0.084 20 0 "[ . 1 . 2 . 3]" 2
20 1 25 LEU O 1 28 TYR N 3.300 . 3.300 3.089 2.885 3.181 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 26 ASN O 1 29 GLY H 2.300 . 2.300 2.215 1.976 2.362 0.062 27 0 "[ . 1 . 2 . 3]" 2
22 1 26 ASN O 1 29 GLY N 3.300 . 3.300 3.116 2.905 3.240 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 34 SER H 1 64 ILE O 2.300 . 2.300 1.884 1.792 2.083 0.008 8 0 "[ . 1 . 2 . 3]" 2
24 1 34 SER N 1 64 ILE O 3.300 . 3.300 2.801 2.695 3.002 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 36 ALA H 1 66 LEU O 2.300 . 2.300 1.867 1.779 2.038 0.021 28 0 "[ . 1 . 2 . 3]" 2
26 1 36 ALA N 1 66 LEU O 3.300 . 3.300 2.829 2.753 2.972 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 38 VAL H 1 68 VAL O 2.300 . 2.300 1.832 1.746 1.976 0.054 21 0 "[ . 1 . 2 . 3]" 2
28 1 38 VAL N 1 68 VAL O 3.300 . 3.300 2.789 2.711 2.897 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 40 SER H 1 70 LYS O 2.300 . 2.300 1.951 1.816 2.166 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 40 SER N 1 70 LYS O 3.300 . 3.300 2.890 2.720 3.139 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 43 PRO O 1 46 GLU H 2.300 . 2.300 2.187 1.933 2.334 0.034 20 0 "[ . 1 . 2 . 3]" 2
32 1 43 PRO O 1 46 GLU N 3.300 . 3.300 3.155 2.897 3.311 0.011 20 0 "[ . 1 . 2 . 3]" 2
33 1 16 GLN O 1 47 VAL H 2.300 . 2.300 2.111 1.880 2.318 0.018 6 0 "[ . 1 . 2 . 3]" 2
34 1 16 GLN O 1 47 VAL N 3.300 . 3.300 3.089 2.839 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 50 THR HG1 1 52 PRO O 2.300 . 2.300 1.793 1.757 1.884 0.043 14 0 "[ . 1 . 2 . 3]" 2
36 1 50 THR OG1 1 52 PRO O 3.300 . 3.300 2.745 2.683 2.846 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 51 ASN H 1 65 GLU O 2.300 . 2.300 2.072 1.779 2.338 0.038 8 0 "[ . 1 . 2 . 3]" 2
38 1 51 ASN N 1 65 GLU O 3.300 . 3.300 2.992 2.733 3.243 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 53 PRO O 1 56 THR H 2.300 . 2.300 2.292 2.106 2.356 0.056 11 0 "[ . 1 . 2 . 3]" 2
40 1 53 PRO O 1 56 THR N 3.300 . 3.300 3.175 3.007 3.264 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 8 LYS O 1 58 VAL H 2.300 . 2.300 1.863 1.782 2.120 0.018 9 0 "[ . 1 . 2 . 3]" 2
42 1 8 LYS O 1 58 VAL N 3.300 . 3.300 2.838 2.742 3.100 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 59 PRO O 1 62 SER H 2.300 . 2.300 2.056 1.901 2.304 0.004 29 0 "[ . 1 . 2 . 3]" 2
44 1 59 PRO O 1 62 SER N 3.300 . 3.300 2.988 2.836 3.225 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 32 LYS O 1 64 ILE H 2.300 . 2.300 1.796 1.755 1.890 0.045 14 0 "[ . 1 . 2 . 3]" 2
46 1 32 LYS O 1 64 ILE N 3.300 . 3.300 2.759 2.715 2.860 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 34 SER O 1 66 LEU H 2.300 . 2.300 1.796 1.759 1.917 0.041 27 0 "[ . 1 . 2 . 3]" 2
48 1 34 SER O 1 66 LEU N 3.300 . 3.300 2.772 2.738 2.889 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 49 GLY O 1 67 GLN H 2.300 . 2.300 1.819 1.754 1.885 0.046 5 0 "[ . 1 . 2 . 3]" 2
50 1 49 GLY O 1 67 GLN N 3.300 . 3.300 2.763 2.710 2.804 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 36 ALA O 1 68 VAL H 2.300 . 2.300 1.771 1.734 1.801 0.066 11 0 "[ . 1 . 2 . 3]" 2
52 1 36 ALA O 1 68 VAL N 3.300 . 3.300 2.740 2.706 2.781 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 38 VAL O 1 70 LYS H 2.300 . 2.300 1.811 1.766 1.905 0.034 6 0 "[ . 1 . 2 . 3]" 2
54 1 38 VAL O 1 70 LYS N 3.300 . 3.300 2.782 2.740 2.859 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 74 PHE H 1 127 VAL O 2.300 . 2.300 1.922 1.795 2.198 0.005 4 0 "[ . 1 . 2 . 3]" 2
56 1 74 PHE N 1 127 VAL O 3.300 . 3.300 2.862 2.754 3.104 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 76 MET H 1 125 THR O 2.300 . 2.300 1.903 1.786 2.079 0.014 26 0 "[ . 1 . 2 . 3]" 2
58 1 76 MET N 1 125 THR O 3.300 . 3.300 2.875 2.740 3.055 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 83 PHE O 1 86 ASP H 2.300 . 2.300 2.143 1.894 2.308 0.008 14 0 "[ . 1 . 2 . 3]" 2
60 1 83 PHE O 1 86 ASP N 3.300 . 3.300 3.010 2.813 3.164 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 83 PHE O 1 87 ALA H 2.300 . 2.300 1.970 1.805 2.204 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 83 PHE O 1 87 ALA N 3.300 . 3.300 2.878 2.723 3.014 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 84 TRP O 1 88 GLU H 2.300 . 2.300 2.036 1.786 2.331 0.031 28 0 "[ . 1 . 2 . 3]" 2
64 1 84 TRP O 1 88 GLU N 3.300 . 3.300 2.995 2.762 3.284 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 86 ASP O 1 90 ARG H 2.300 . 2.300 2.215 1.987 2.399 0.099 11 0 "[ . 1 . 2 . 3]" 2
66 1 86 ASP O 1 90 ARG N 3.300 . 3.300 3.110 2.867 3.314 0.014 11 0 "[ . 1 . 2 . 3]" 2
67 1 87 ALA O 1 91 LEU H 2.300 . 2.300 2.042 1.858 2.375 0.075 8 0 "[ . 1 . 2 . 3]" 2
68 1 87 ALA O 1 91 LEU N 3.300 . 3.300 2.896 2.716 3.223 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 89 PRO O 1 93 ALA H 2.300 . 2.300 2.026 1.856 2.234 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 89 PRO O 1 93 ALA N 3.300 . 3.300 2.927 2.798 3.143 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 90 ARG O 1 94 LEU H 2.300 . 2.300 1.919 1.797 2.079 0.003 28 0 "[ . 1 . 2 . 3]" 2
72 1 90 ARG O 1 94 LEU N 3.300 . 3.300 2.807 2.712 2.949 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 91 LEU O 1 96 TRP H 2.300 . 2.300 1.905 1.771 2.214 0.029 13 0 "[ . 1 . 2 . 3]" 2
74 1 91 LEU O 1 96 TRP N 3.300 . 3.300 2.862 2.752 3.097 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 110 GLY O 1 113 HIS H 2.300 . 2.300 2.163 1.906 2.327 0.027 23 0 "[ . 1 . 2 . 3]" 2
76 1 110 GLY O 1 113 HIS N 3.300 . 3.300 3.038 2.814 3.196 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 113 HIS O 1 115 ARG H 2.300 . 2.300 2.196 1.868 2.393 0.093 3 0 "[ . 1 . 2 . 3]" 2
78 1 113 HIS O 1 115 ARG N 3.300 . 3.300 2.929 2.712 3.149 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 82 MET O 1 116 VAL H 2.300 . 2.300 1.856 1.757 2.266 0.043 2 0 "[ . 1 . 2 . 3]" 2
80 1 82 MET O 1 116 VAL N 3.300 . 3.300 2.788 2.708 2.970 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 117 VAL H 1 136 ARG O 2.300 . 2.300 2.079 1.909 2.321 0.021 29 0 "[ . 1 . 2 . 3]" 2
82 1 117 VAL N 1 136 ARG O 3.300 . 3.300 3.015 2.841 3.263 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 119 GLN HE21 1 121 PRO O 2.300 . 2.300 1.952 1.774 2.369 0.069 12 0 "[ . 1 . 2 . 3]" 2
84 1 119 GLN NE2 1 121 PRO O 3.300 . 3.300 2.837 2.740 3.126 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 76 MET O 1 124 GLY H 2.300 . 2.300 1.921 1.792 2.273 0.008 22 0 "[ . 1 . 2 . 3]" 2
86 1 76 MET O 1 124 GLY N 3.300 . 3.300 2.849 2.749 3.229 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 122 PRO O 1 125 THR H 2.300 . 2.300 2.292 2.178 2.365 0.065 8 0 "[ . 1 . 2 . 3]" 2
88 1 122 PRO O 1 125 THR N 3.300 . 3.300 3.143 3.016 3.249 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 74 PHE O 1 127 VAL H 2.300 . 2.300 1.864 1.768 2.088 0.032 19 0 "[ . 1 . 2 . 3]" 2
90 1 74 PHE O 1 127 VAL N 3.300 . 3.300 2.821 2.736 3.032 . 0 0 "[ . 1 . 2 . 3]" 2
91 1 128 ASN O 1 131 GLY H 2.300 . 2.300 1.874 1.784 2.136 0.016 23 0 "[ . 1 . 2 . 3]" 2
92 1 128 ASN O 1 131 GLY N 3.300 . 3.300 2.712 2.647 2.847 . 0 0 "[ . 1 . 2 . 3]" 2
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