NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453593 |
2ysz   |
10237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ysz
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 3009
_Distance_constraint_stats_list.Viol_count 668
_Distance_constraint_stats_list.Viol_total 245.896
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0184
_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 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.004 0.004 11 0 "[ . 1 . 2]"
1 10 PRO 0.238 0.238 19 0 "[ . 1 . 2]"
1 11 LYS 0.259 0.238 19 0 "[ . 1 . 2]"
1 12 THR 0.322 0.085 12 0 "[ . 1 . 2]"
1 13 GLU 0.261 0.085 12 0 "[ . 1 . 2]"
1 14 LEU 0.331 0.085 3 0 "[ . 1 . 2]"
1 15 VAL 0.234 0.088 14 0 "[ . 1 . 2]"
1 16 GLN 0.253 0.105 10 0 "[ . 1 . 2]"
1 17 LYS 0.105 0.035 15 0 "[ . 1 . 2]"
1 18 PHE 0.107 0.045 14 0 "[ . 1 . 2]"
1 19 ARG 0.020 0.011 19 0 "[ . 1 . 2]"
1 20 VAL 0.026 0.012 6 0 "[ . 1 . 2]"
1 21 GLN 0.054 0.036 16 0 "[ . 1 . 2]"
1 22 TYR 0.038 0.019 5 0 "[ . 1 . 2]"
1 23 LEU 0.096 0.028 5 0 "[ . 1 . 2]"
1 24 GLY 0.027 0.009 7 0 "[ . 1 . 2]"
1 25 MET 0.059 0.018 5 0 "[ . 1 . 2]"
1 26 LEU 0.027 0.007 7 0 "[ . 1 . 2]"
1 27 PRO 0.032 0.018 5 0 "[ . 1 . 2]"
1 28 VAL 0.064 0.017 5 0 "[ . 1 . 2]"
1 29 ASP 0.012 0.007 16 0 "[ . 1 . 2]"
1 30 ARG 0.643 0.262 18 0 "[ . 1 . 2]"
1 31 PRO 0.160 0.066 18 0 "[ . 1 . 2]"
1 32 VAL 0.119 0.019 8 0 "[ . 1 . 2]"
1 33 GLY 0.015 0.008 13 0 "[ . 1 . 2]"
1 34 MET 0.013 0.009 5 0 "[ . 1 . 2]"
1 35 ASP 0.038 0.023 15 0 "[ . 1 . 2]"
1 36 THR 0.276 0.037 17 0 "[ . 1 . 2]"
1 37 LEU 0.065 0.013 18 0 "[ . 1 . 2]"
1 38 ASN 0.030 0.011 17 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.009 0.004 16 0 "[ . 1 . 2]"
1 41 ILE 0.018 0.011 17 0 "[ . 1 . 2]"
1 42 GLU 0.021 0.018 6 0 "[ . 1 . 2]"
1 43 ASN 0.013 0.009 17 0 "[ . 1 . 2]"
1 44 LEU 0.077 0.016 5 0 "[ . 1 . 2]"
1 45 MET 0.131 0.032 5 0 "[ . 1 . 2]"
1 46 THR 0.844 0.158 12 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.003 0.003 18 0 "[ . 1 . 2]"
1 49 SER 0.144 0.034 20 0 "[ . 1 . 2]"
1 50 LYS 0.235 0.069 16 0 "[ . 1 . 2]"
1 51 GLU 0.256 0.038 9 0 "[ . 1 . 2]"
1 52 ASP 0.011 0.004 3 0 "[ . 1 . 2]"
1 53 TRP 0.171 0.023 16 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.016 0.008 20 0 "[ . 1 . 2]"
1 56 VAL 0.006 0.005 5 0 "[ . 1 . 2]"
1 57 ASN 0.046 0.021 20 0 "[ . 1 . 2]"
1 58 MET 0.090 0.023 18 0 "[ . 1 . 2]"
1 59 ASN 0.317 0.073 14 0 "[ . 1 . 2]"
1 60 VAL 0.123 0.045 14 0 "[ . 1 . 2]"
1 61 ALA 0.216 0.088 14 0 "[ . 1 . 2]"
1 62 ASP 0.043 0.012 20 0 "[ . 1 . 2]"
1 63 ALA 0.033 0.028 4 0 "[ . 1 . 2]"
1 64 THR 0.098 0.014 18 0 "[ . 1 . 2]"
1 65 VAL 0.173 0.042 18 0 "[ . 1 . 2]"
1 66 THR 0.042 0.005 14 0 "[ . 1 . 2]"
1 67 VAL 0.656 0.123 17 0 "[ . 1 . 2]"
1 68 ILE 0.061 0.021 17 0 "[ . 1 . 2]"
1 69 SER 0.064 0.023 5 0 "[ . 1 . 2]"
1 70 GLU 0.081 0.023 4 0 "[ . 1 . 2]"
1 71 LYS 0.025 0.010 2 0 "[ . 1 . 2]"
1 72 ASN 0.240 0.098 15 0 "[ . 1 . 2]"
1 73 GLU 0.204 0.054 20 0 "[ . 1 . 2]"
1 74 GLU 0.016 0.016 20 0 "[ . 1 . 2]"
1 75 GLU 0.072 0.026 18 0 "[ . 1 . 2]"
1 76 VAL 0.143 0.026 18 0 "[ . 1 . 2]"
1 77 LEU 0.692 0.123 17 0 "[ . 1 . 2]"
1 78 VAL 0.051 0.019 5 0 "[ . 1 . 2]"
1 79 GLU 0.017 0.006 19 0 "[ . 1 . 2]"
1 80 CYS 0.075 0.021 17 0 "[ . 1 . 2]"
1 81 ARG 0.027 0.017 14 0 "[ . 1 . 2]"
1 82 VAL 0.072 0.028 4 0 "[ . 1 . 2]"
1 83 ARG 0.094 0.063 16 0 "[ . 1 . 2]"
1 84 PHE 0.092 0.063 16 0 "[ . 1 . 2]"
1 85 LEU 0.011 0.009 10 0 "[ . 1 . 2]"
1 86 SER 0.026 0.012 20 0 "[ . 1 . 2]"
1 87 PHE 0.076 0.024 17 0 "[ . 1 . 2]"
1 88 MET 0.099 0.054 17 0 "[ . 1 . 2]"
1 89 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 90 VAL 0.008 0.004 14 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 0.073 0.022 2 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.049 0.022 12 0 "[ . 1 . 2]"
1 95 HIS 0.013 0.009 5 0 "[ . 1 . 2]"
1 96 THR 0.044 0.017 5 0 "[ . 1 . 2]"
1 97 PHE 0.027 0.017 5 0 "[ . 1 . 2]"
1 98 ALA 0.001 0.001 14 0 "[ . 1 . 2]"
1 99 PHE 0.028 0.018 6 0 "[ . 1 . 2]"
1 100 ILE 0.245 0.048 17 0 "[ . 1 . 2]"
1 101 MET 0.012 0.011 13 0 "[ . 1 . 2]"
1 102 ASP 0.011 0.007 10 0 "[ . 1 . 2]"
1 103 THR 0.016 0.009 5 0 "[ . 1 . 2]"
1 104 GLY 0.174 0.103 13 0 "[ . 1 . 2]"
1 105 ASN 0.031 0.018 3 0 "[ . 1 . 2]"
1 106 GLN 0.054 0.024 5 0 "[ . 1 . 2]"
1 107 ARG 0.424 0.103 13 0 "[ . 1 . 2]"
1 108 PHE 0.127 0.021 16 0 "[ . 1 . 2]"
1 109 GLU 0.044 0.023 17 0 "[ . 1 . 2]"
1 110 CYS 0.029 0.017 5 0 "[ . 1 . 2]"
1 111 HIS 0.001 0.001 17 0 "[ . 1 . 2]"
1 112 VAL 0.013 0.004 6 0 "[ . 1 . 2]"
1 113 PHE 0.029 0.004 6 0 "[ . 1 . 2]"
1 114 TRP 0.010 0.009 5 0 "[ . 1 . 2]"
1 115 CYS 0.013 0.005 17 0 "[ . 1 . 2]"
1 116 GLU 0.032 0.014 5 0 "[ . 1 . 2]"
1 117 PRO 0.004 0.003 10 0 "[ . 1 . 2]"
1 118 ASN 0.035 0.010 17 0 "[ . 1 . 2]"
1 119 ALA 0.012 0.007 5 0 "[ . 1 . 2]"
1 120 ALA 0.026 0.013 12 0 "[ . 1 . 2]"
1 121 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.005 0.003 10 0 "[ . 1 . 2]"
1 123 SER 0.003 0.003 10 0 "[ . 1 . 2]"
1 124 GLU 0.133 0.133 12 0 "[ . 1 . 2]"
1 125 ALA 0.014 0.006 11 0 "[ . 1 . 2]"
1 126 VAL 0.000 0.000 9 0 "[ . 1 . 2]"
1 127 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 0.005 0.003 8 0 "[ . 1 . 2]"
1 129 ALA 0.009 0.005 20 0 "[ . 1 . 2]"
1 130 CYS 0.000 0.000 9 0 "[ . 1 . 2]"
1 131 SER 0.069 0.050 17 0 "[ . 1 . 2]"
1 132 GLY 0.053 0.050 17 0 "[ . 1 . 2]"
1 133 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ILE 0.079 0.034 16 0 "[ . 1 . 2]"
1 138 GLU 0.249 0.156 16 0 "[ . 1 . 2]"
1 139 GLY 0.036 0.023 4 0 "[ . 1 . 2]"
1 140 ARG 0.135 0.048 12 0 "[ . 1 . 2]"
1 154 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 ALA 0.364 0.113 16 0 "[ . 1 . 2]"
1 156 ALA 0.766 0.113 16 0 "[ . 1 . 2]"
1 157 VAL 0.619 0.072 2 0 "[ . 1 . 2]"
1 158 THR 0.520 0.081 15 0 "[ . 1 . 2]"
1 159 PRO 0.301 0.081 15 0 "[ . 1 . 2]"
1 160 GLU 0.008 0.008 15 0 "[ . 1 . 2]"
1 161 GLU 0.249 0.207 15 0 "[ . 1 . 2]"
1 162 ARG 0.117 0.030 15 0 "[ . 1 . 2]"
1 163 HIS 0.002 0.001 12 0 "[ . 1 . 2]"
1 164 LEU 0.070 0.022 12 0 "[ . 1 . 2]"
1 165 SER 0.009 0.005 20 0 "[ . 1 . 2]"
1 166 LYS 0.042 0.021 20 0 "[ . 1 . 2]"
1 167 MET 0.049 0.021 20 0 "[ . 1 . 2]"
1 168 GLN 0.041 0.012 20 0 "[ . 1 . 2]"
1 169 GLN 0.067 0.033 20 0 "[ . 1 . 2]"
1 170 ASN 0.013 0.013 10 0 "[ . 1 . 2]"
1 171 GLY 0.017 0.013 10 0 "[ . 1 . 2]"
1 172 TYR 0.103 0.056 8 0 "[ . 1 . 2]"
1 173 GLU 0.526 0.143 8 0 "[ . 1 . 2]"
1 174 ASN 0.215 0.082 8 0 "[ . 1 . 2]"
1 175 PRO 0.084 0.084 10 0 "[ . 1 . 2]"
1 176 THR 0.180 0.084 10 0 "[ . 1 . 2]"
1 177 TYR 0.116 0.031 10 0 "[ . 1 . 2]"
1 178 LYS 0.354 0.134 16 0 "[ . 1 . 2]"
1 179 PHE 0.143 0.032 2 0 "[ . 1 . 2]"
1 180 PHE 0.366 0.092 20 0 "[ . 1 . 2]"
1 181 GLU 0.090 0.039 9 0 "[ . 1 . 2]"
1 182 GLN 0.699 0.153 7 0 "[ . 1 . 2]"
1 183 MET 0.329 0.195 11 0 "[ . 1 . 2]"
1 184 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 185 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 PRO HA 1 9 THR H . . 3.300 2.374 2.151 3.275 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR H 1 9 THR HB . . 3.830 3.229 2.525 3.834 0.004 11 0 "[ . 1 . 2]" 1
3 1 9 THR H 1 9 THR MG . . 4.780 3.016 1.841 3.932 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR HA 1 10 PRO HD2 . . 3.330 2.092 1.914 2.400 . 0 0 "[ . 1 . 2]" 1
5 1 9 THR HA 1 10 PRO QD . . 2.860 1.949 1.853 2.272 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR HA 1 10 PRO HD3 . . 3.330 2.403 2.256 3.212 . 0 0 "[ . 1 . 2]" 1
7 1 9 THR MG 1 10 PRO QD . . 4.010 3.038 1.944 3.981 . 0 0 "[ . 1 . 2]" 1
8 1 10 PRO HA 1 11 LYS H . . 2.910 2.320 2.150 3.148 0.238 19 0 "[ . 1 . 2]" 1
9 1 11 LYS H 1 11 LYS QB . . 3.290 2.529 2.124 3.111 . 0 0 "[ . 1 . 2]" 1
10 1 11 LYS H 1 11 LYS QG . . 3.980 2.908 1.943 4.001 0.021 10 0 "[ . 1 . 2]" 1
11 1 11 LYS HA 1 11 LYS HD2 . . 5.500 4.556 3.563 5.458 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS HA 1 11 LYS QD . . 4.770 3.849 2.387 4.384 . 0 0 "[ . 1 . 2]" 1
13 1 11 LYS HA 1 11 LYS HD3 . . 5.500 4.243 2.420 5.495 . 0 0 "[ . 1 . 2]" 1
14 1 11 LYS HA 1 11 LYS QG . . 3.500 2.643 2.291 3.342 . 0 0 "[ . 1 . 2]" 1
15 1 11 LYS HA 1 12 THR H . . 3.050 2.303 2.141 2.754 . 0 0 "[ . 1 . 2]" 1
16 1 11 LYS QB 1 12 THR H . . 4.210 3.179 2.294 4.034 . 0 0 "[ . 1 . 2]" 1
17 1 12 THR H 1 12 THR HB . . 3.930 3.300 2.456 3.814 . 0 0 "[ . 1 . 2]" 1
18 1 12 THR H 1 12 THR MG . . 4.050 3.043 1.922 4.005 . 0 0 "[ . 1 . 2]" 1
19 1 12 THR H 1 13 GLU H . . 4.420 4.062 2.884 4.412 . 0 0 "[ . 1 . 2]" 1
20 1 12 THR HA 1 12 THR MG . . 3.140 2.454 2.104 3.198 0.058 4 0 "[ . 1 . 2]" 1
21 1 12 THR HA 1 13 GLU H . . 2.830 2.256 2.144 2.905 0.075 12 0 "[ . 1 . 2]" 1
22 1 12 THR HB 1 13 GLU H . . 4.430 4.023 3.105 4.515 0.085 12 0 "[ . 1 . 2]" 1
23 1 12 THR MG 1 13 GLU H . . 4.250 3.690 2.469 4.250 . 0 0 "[ . 1 . 2]" 1
24 1 13 GLU H 1 13 GLU HB2 . . 3.730 2.714 2.261 3.678 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLU H 1 13 GLU QB . . 3.090 2.416 2.237 2.813 . 0 0 "[ . 1 . 2]" 1
26 1 13 GLU H 1 13 GLU HB3 . . 3.730 3.294 2.312 3.740 0.010 4 0 "[ . 1 . 2]" 1
27 1 13 GLU H 1 13 GLU QG . . 3.830 3.110 2.016 3.903 0.073 14 0 "[ . 1 . 2]" 1
28 1 13 GLU HA 1 14 LEU H . . 2.690 2.378 2.237 2.605 . 0 0 "[ . 1 . 2]" 1
29 1 13 GLU QB 1 14 LEU H . . 3.560 2.608 2.015 3.541 . 0 0 "[ . 1 . 2]" 1
30 1 13 GLU HB2 1 14 LEU H . . 4.070 3.593 2.312 4.067 . 0 0 "[ . 1 . 2]" 1
31 1 13 GLU HB3 1 14 LEU H . . 4.070 2.916 2.036 4.072 0.002 18 0 "[ . 1 . 2]" 1
32 1 13 GLU QG 1 14 LEU H . . 4.380 3.462 2.016 4.194 . 0 0 "[ . 1 . 2]" 1
33 1 14 LEU H 1 14 LEU HB2 . . 3.380 2.289 2.150 2.578 . 0 0 "[ . 1 . 2]" 1
34 1 14 LEU H 1 14 LEU QB . . 2.790 2.194 2.100 2.379 . 0 0 "[ . 1 . 2]" 1
35 1 14 LEU H 1 14 LEU HB3 . . 3.380 2.913 2.623 3.465 0.085 3 0 "[ . 1 . 2]" 1
36 1 14 LEU H 1 14 LEU MD1 . . 4.380 4.193 4.008 4.304 . 0 0 "[ . 1 . 2]" 1
37 1 14 LEU H 1 14 LEU QD . . 3.780 3.363 2.491 3.704 . 0 0 "[ . 1 . 2]" 1
38 1 14 LEU H 1 14 LEU MD2 . . 4.380 3.597 2.513 4.358 . 0 0 "[ . 1 . 2]" 1
39 1 14 LEU H 1 14 LEU HG . . 4.900 4.505 4.050 4.778 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU HA 1 14 LEU MD1 . . 3.510 2.592 2.025 3.530 0.020 8 0 "[ . 1 . 2]" 1
41 1 14 LEU HA 1 14 LEU QD . . 2.920 2.029 1.878 2.959 0.039 8 0 "[ . 1 . 2]" 1
42 1 14 LEU HA 1 14 LEU MD2 . . 3.510 2.160 1.930 3.177 . 0 0 "[ . 1 . 2]" 1
43 1 14 LEU HA 1 15 VAL H . . 2.640 2.174 2.140 2.250 . 0 0 "[ . 1 . 2]" 1
44 1 14 LEU QB 1 14 LEU QD . . 2.780 2.007 1.870 2.073 . 0 0 "[ . 1 . 2]" 1
45 1 14 LEU QB 1 15 VAL H . . 4.380 3.761 3.069 3.960 . 0 0 "[ . 1 . 2]" 1
46 1 14 LEU HB2 1 15 VAL H . . 5.040 4.491 4.146 4.606 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU HB3 1 15 VAL H . . 5.040 4.059 3.145 4.326 . 0 0 "[ . 1 . 2]" 1
48 1 14 LEU QD 1 15 VAL H . . 3.630 2.612 2.082 2.957 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU MD1 1 15 VAL H . . 4.130 2.834 2.121 4.153 0.023 8 0 "[ . 1 . 2]" 1
50 1 14 LEU MD2 1 15 VAL H . . 4.130 3.413 2.242 4.126 . 0 0 "[ . 1 . 2]" 1
51 1 14 LEU HG 1 15 VAL H . . 5.380 4.996 2.607 5.341 . 0 0 "[ . 1 . 2]" 1
52 1 15 VAL H 1 15 VAL HB . . 3.170 3.033 2.600 3.177 0.007 6 0 "[ . 1 . 2]" 1
53 1 15 VAL H 1 15 VAL MG1 . . 4.000 2.295 1.903 3.835 . 0 0 "[ . 1 . 2]" 1
54 1 15 VAL H 1 15 VAL QG . . 2.990 2.191 1.898 2.926 . 0 0 "[ . 1 . 2]" 1
55 1 15 VAL H 1 15 VAL MG2 . . 4.000 3.804 2.871 3.975 . 0 0 "[ . 1 . 2]" 1
56 1 15 VAL H 1 16 GLN H . . 4.720 4.440 4.259 4.531 . 0 0 "[ . 1 . 2]" 1
57 1 15 VAL HA 1 15 VAL MG1 . . 3.340 3.122 2.457 3.204 . 0 0 "[ . 1 . 2]" 1
58 1 15 VAL HA 1 15 VAL QG . . 2.910 2.224 2.054 2.376 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL HA 1 15 VAL MG2 . . 3.340 2.284 2.166 2.451 . 0 0 "[ . 1 . 2]" 1
60 1 15 VAL HA 1 16 GLN H . . 2.820 2.246 2.157 2.351 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL HA 1 61 ALA MB . . 3.650 3.422 2.821 3.653 0.003 3 0 "[ . 1 . 2]" 1
62 1 15 VAL HB 1 16 GLN H . . 4.270 4.020 3.846 4.272 0.002 19 0 "[ . 1 . 2]" 1
63 1 15 VAL HB 1 61 ALA MB . . 4.060 2.634 2.280 4.148 0.088 14 0 "[ . 1 . 2]" 1
64 1 15 VAL QG 1 16 GLN H . . 3.210 2.120 1.860 2.536 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL QG 1 17 LYS H . . 4.380 4.032 3.715 4.342 . 0 0 "[ . 1 . 2]" 1
66 1 15 VAL QG 1 59 ASN HA . . 3.820 2.872 2.290 3.138 . 0 0 "[ . 1 . 2]" 1
67 1 15 VAL QG 1 59 ASN QB . . 3.040 2.056 1.889 2.302 . 0 0 "[ . 1 . 2]" 1
68 1 15 VAL QG 1 60 VAL H . . 3.390 2.675 2.427 3.146 . 0 0 "[ . 1 . 2]" 1
69 1 15 VAL QG 1 61 ALA H . . 3.490 2.720 2.533 3.062 . 0 0 "[ . 1 . 2]" 1
70 1 15 VAL QG 1 61 ALA MB . . 3.110 2.191 1.702 2.568 . 0 0 "[ . 1 . 2]" 1
71 1 15 VAL QG 1 66 THR HB . . 4.940 4.301 4.011 4.634 . 0 0 "[ . 1 . 2]" 1
72 1 15 VAL MG1 1 16 GLN H . . 3.910 3.522 1.866 3.911 0.001 5 0 "[ . 1 . 2]" 1
73 1 15 VAL MG1 1 59 ASN HA . . 4.570 4.107 2.296 4.568 . 0 0 "[ . 1 . 2]" 1
74 1 15 VAL MG1 1 61 ALA MB . . 3.790 3.632 2.772 3.794 0.004 20 0 "[ . 1 . 2]" 1
75 1 15 VAL MG2 1 16 GLN H . . 3.910 2.309 1.880 3.909 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL MG2 1 59 ASN HA . . 4.570 3.153 2.672 4.643 0.073 14 0 "[ . 1 . 2]" 1
77 1 15 VAL MG2 1 61 ALA MB . . 3.790 2.212 1.717 2.612 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLN H 1 16 GLN QB . . 3.070 2.454 2.235 2.637 . 0 0 "[ . 1 . 2]" 1
79 1 16 GLN H 1 16 GLN QE . . 4.790 3.687 2.991 4.714 . 0 0 "[ . 1 . 2]" 1
80 1 16 GLN H 1 16 GLN HG2 . . 4.360 3.930 2.651 4.296 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLN H 1 16 GLN QG . . 3.530 2.835 2.285 3.635 0.105 10 0 "[ . 1 . 2]" 1
82 1 16 GLN H 1 16 GLN HG3 . . 4.360 3.000 2.313 4.391 0.031 10 0 "[ . 1 . 2]" 1
83 1 16 GLN H 1 17 LYS H . . 4.580 4.439 4.285 4.564 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLN H 1 18 PHE QE . . 5.500 4.765 4.225 5.498 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLN H 1 59 ASN HA . . 4.880 4.603 4.289 4.867 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLN H 1 60 VAL H . . 3.880 3.370 2.986 3.757 . 0 0 "[ . 1 . 2]" 1
87 1 16 GLN H 1 60 VAL HB . . 4.650 3.998 3.253 4.450 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN H 1 61 ALA MB . . 4.670 4.526 4.183 4.675 0.005 5 0 "[ . 1 . 2]" 1
89 1 16 GLN HA 1 16 GLN QE . . 5.230 4.560 4.385 5.086 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLN HA 1 16 GLN HG2 . . 3.680 2.758 2.317 3.703 0.023 10 0 "[ . 1 . 2]" 1
91 1 16 GLN HA 1 16 GLN QG . . 3.190 2.488 2.225 3.266 0.076 9 0 "[ . 1 . 2]" 1
92 1 16 GLN HA 1 16 GLN HG3 . . 3.680 2.956 2.449 3.687 0.007 9 0 "[ . 1 . 2]" 1
93 1 16 GLN HA 1 17 LYS H . . 2.830 2.181 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
94 1 16 GLN HA 1 17 LYS HA . . 4.690 4.388 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
95 1 16 GLN HA 1 17 LYS QB . . 4.600 4.303 4.143 4.459 . 0 0 "[ . 1 . 2]" 1
96 1 16 GLN QB 1 16 GLN QE . . 3.450 2.205 1.879 3.078 . 0 0 "[ . 1 . 2]" 1
97 1 16 GLN QB 1 17 LYS H . . 3.940 3.118 2.709 3.526 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLN QB 1 18 PHE QE . . 4.290 2.862 2.285 3.895 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLN QB 1 60 VAL H . . 4.430 3.806 3.502 4.430 0.000 9 0 "[ . 1 . 2]" 1
100 1 16 GLN QB 1 125 ALA MB . . 4.330 3.906 3.328 4.326 . 0 0 "[ . 1 . 2]" 1
101 1 16 GLN HB2 1 18 PHE QE . . 5.160 3.110 2.447 4.861 . 0 0 "[ . 1 . 2]" 1
102 1 16 GLN HB3 1 18 PHE QE . . 5.160 3.445 2.654 4.648 . 0 0 "[ . 1 . 2]" 1
103 1 16 GLN QE 1 60 VAL HB . . 4.670 3.961 1.922 4.494 . 0 0 "[ . 1 . 2]" 1
104 1 16 GLN QE 1 60 VAL QG . . 4.420 3.774 2.075 4.421 0.001 10 0 "[ . 1 . 2]" 1
105 1 16 GLN QE 1 125 ALA HA . . 5.160 4.226 3.373 4.904 . 0 0 "[ . 1 . 2]" 1
106 1 16 GLN QE 1 125 ALA MB . . 3.360 2.850 1.776 3.362 0.002 20 0 "[ . 1 . 2]" 1
107 1 16 GLN HE21 1 125 ALA MB . . 3.960 3.299 2.669 3.871 . 0 0 "[ . 1 . 2]" 1
108 1 16 GLN HE22 1 125 ALA MB . . 3.960 3.171 1.796 3.767 . 0 0 "[ . 1 . 2]" 1
109 1 16 GLN QG 1 17 LYS H . . 4.260 3.941 2.451 4.222 . 0 0 "[ . 1 . 2]" 1
110 1 16 GLN HG2 1 17 LYS H . . 5.120 4.298 3.747 4.903 . 0 0 "[ . 1 . 2]" 1
111 1 16 GLN HG3 1 17 LYS H . . 5.120 4.743 2.484 5.109 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS H 1 17 LYS HB2 . . 3.760 3.470 2.401 3.795 0.035 15 0 "[ . 1 . 2]" 1
113 1 17 LYS H 1 17 LYS QB . . 3.110 2.716 2.369 2.956 . 0 0 "[ . 1 . 2]" 1
114 1 17 LYS H 1 17 LYS HB3 . . 3.760 3.036 2.623 3.737 . 0 0 "[ . 1 . 2]" 1
115 1 17 LYS H 1 17 LYS HG2 . . 4.090 2.886 1.894 4.118 0.028 6 0 "[ . 1 . 2]" 1
116 1 17 LYS H 1 17 LYS QG . . 3.570 2.525 1.886 3.333 . 0 0 "[ . 1 . 2]" 1
117 1 17 LYS H 1 17 LYS HG3 . . 4.090 3.387 2.315 3.947 . 0 0 "[ . 1 . 2]" 1
118 1 17 LYS H 1 18 PHE H . . 4.740 4.503 4.390 4.572 . 0 0 "[ . 1 . 2]" 1
119 1 17 LYS H 1 59 ASN HA . . 4.860 4.554 4.246 4.766 . 0 0 "[ . 1 . 2]" 1
120 1 17 LYS H 1 60 VAL H . . 5.110 4.897 4.711 5.043 . 0 0 "[ . 1 . 2]" 1
121 1 17 LYS HA 1 17 LYS HD2 . . 5.320 4.418 3.559 5.317 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS HA 1 17 LYS QD . . 4.630 3.880 3.230 4.265 . 0 0 "[ . 1 . 2]" 1
123 1 17 LYS HA 1 17 LYS HD3 . . 5.320 4.469 3.359 5.018 . 0 0 "[ . 1 . 2]" 1
124 1 17 LYS HA 1 17 LYS HG2 . . 4.250 3.567 2.714 4.241 . 0 0 "[ . 1 . 2]" 1
125 1 17 LYS HA 1 17 LYS QG . . 3.740 3.206 2.322 3.458 . 0 0 "[ . 1 . 2]" 1
126 1 17 LYS HA 1 17 LYS HG3 . . 4.250 3.754 2.353 4.244 . 0 0 "[ . 1 . 2]" 1
127 1 17 LYS HA 1 18 PHE H . . 3.110 2.229 2.140 2.354 . 0 0 "[ . 1 . 2]" 1
128 1 17 LYS HA 1 58 MET H . . 4.580 4.378 3.784 4.580 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS HA 1 59 ASN HA . . 3.830 2.300 2.049 2.835 . 0 0 "[ . 1 . 2]" 1
130 1 17 LYS HA 1 60 VAL H . . 4.150 3.348 3.043 3.598 . 0 0 "[ . 1 . 2]" 1
131 1 17 LYS QB 1 17 LYS QE . . 4.310 3.034 2.044 3.781 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS QB 1 18 PHE H . . 3.610 2.892 2.507 3.338 . 0 0 "[ . 1 . 2]" 1
133 1 17 LYS QB 1 60 VAL H . . 5.340 4.833 4.436 5.334 . 0 0 "[ . 1 . 2]" 1
134 1 17 LYS HB2 1 17 LYS HE2 . . 5.500 4.271 2.181 5.385 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS HB2 1 17 LYS HE3 . . 5.500 4.113 2.076 5.468 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS HB2 1 18 PHE H . . 4.280 3.166 2.550 4.208 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS HB3 1 17 LYS HE2 . . 5.500 4.060 2.737 4.854 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS HB3 1 17 LYS HE3 . . 5.500 3.862 2.377 4.827 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS HB3 1 18 PHE H . . 4.280 3.866 2.892 4.298 0.018 3 0 "[ . 1 . 2]" 1
140 1 17 LYS QD 1 59 ASN HA . . 5.340 5.038 3.761 5.342 0.002 3 0 "[ . 1 . 2]" 1
141 1 17 LYS QE 1 17 LYS QG . . 3.260 2.236 2.019 2.598 . 0 0 "[ . 1 . 2]" 1
142 1 17 LYS QG 1 18 PHE H . . 4.300 3.887 3.589 4.242 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS QG 1 57 ASN HB3 . . 4.330 3.627 3.109 4.063 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS HG2 1 18 PHE H . . 5.040 4.403 3.714 4.959 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS HG2 1 57 ASN HB3 . . 5.070 4.433 3.357 5.005 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS HG3 1 18 PHE H . . 5.040 4.519 3.761 4.910 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS HG3 1 57 ASN HB3 . . 5.070 4.075 3.376 5.023 . 0 0 "[ . 1 . 2]" 1
148 1 18 PHE H 1 18 PHE HB2 . . 4.050 2.694 2.530 2.811 . 0 0 "[ . 1 . 2]" 1
149 1 18 PHE H 1 18 PHE QB . . 3.530 2.641 2.490 2.747 . 0 0 "[ . 1 . 2]" 1
150 1 18 PHE H 1 18 PHE HB3 . . 4.050 3.803 3.713 3.864 . 0 0 "[ . 1 . 2]" 1
151 1 18 PHE H 1 18 PHE QD . . 3.670 2.998 2.325 3.272 . 0 0 "[ . 1 . 2]" 1
152 1 18 PHE H 1 18 PHE QE . . 5.080 4.907 4.258 5.061 . 0 0 "[ . 1 . 2]" 1
153 1 18 PHE H 1 57 ASN HA . . 4.620 3.981 3.641 4.538 . 0 0 "[ . 1 . 2]" 1
154 1 18 PHE H 1 58 MET H . . 3.740 2.660 2.414 2.987 . 0 0 "[ . 1 . 2]" 1
155 1 18 PHE H 1 58 MET QB . . 4.250 3.010 2.447 3.228 . 0 0 "[ . 1 . 2]" 1
156 1 18 PHE H 1 58 MET HG2 . . 5.450 4.472 4.133 5.238 . 0 0 "[ . 1 . 2]" 1
157 1 18 PHE H 1 58 MET HG3 . . 5.500 5.138 4.088 5.506 0.006 5 0 "[ . 1 . 2]" 1
158 1 18 PHE H 1 59 ASN HA . . 4.120 3.847 3.613 4.165 0.045 14 0 "[ . 1 . 2]" 1
159 1 18 PHE H 1 60 VAL H . . 5.170 4.719 4.346 5.166 . 0 0 "[ . 1 . 2]" 1
160 1 18 PHE H 1 60 VAL QG . . 4.980 4.552 3.974 4.942 . 0 0 "[ . 1 . 2]" 1
161 1 18 PHE H 1 122 VAL MG2 . . 5.500 5.212 4.703 5.478 . 0 0 "[ . 1 . 2]" 1
162 1 18 PHE HA 1 19 ARG H . . 3.170 2.213 2.144 2.380 . 0 0 "[ . 1 . 2]" 1
163 1 18 PHE QB 1 19 ARG H . . 3.630 2.941 2.490 3.240 . 0 0 "[ . 1 . 2]" 1
164 1 18 PHE QB 1 58 MET QB . . 3.840 2.265 1.960 2.718 . 0 0 "[ . 1 . 2]" 1
165 1 18 PHE QB 1 58 MET ME . . 4.840 4.469 3.998 4.780 . 0 0 "[ . 1 . 2]" 1
166 1 18 PHE HB2 1 19 ARG H . . 4.230 4.020 3.488 4.227 . 0 0 "[ . 1 . 2]" 1
167 1 18 PHE HB2 1 20 VAL MG1 . . 3.980 3.023 2.763 3.241 . 0 0 "[ . 1 . 2]" 1
168 1 18 PHE HB2 1 122 VAL MG2 . . 3.760 2.974 2.598 3.204 . 0 0 "[ . 1 . 2]" 1
169 1 18 PHE HB3 1 19 ARG H . . 4.230 3.026 2.549 3.365 . 0 0 "[ . 1 . 2]" 1
170 1 18 PHE HB3 1 20 VAL MG1 . . 3.980 3.015 2.830 3.342 . 0 0 "[ . 1 . 2]" 1
171 1 18 PHE HB3 1 122 VAL MG2 . . 3.760 2.727 2.223 3.140 . 0 0 "[ . 1 . 2]" 1
172 1 18 PHE QD 1 19 ARG H . . 4.220 3.990 3.549 4.207 . 0 0 "[ . 1 . 2]" 1
173 1 18 PHE QD 1 20 VAL MG1 . . 4.510 4.384 4.257 4.522 0.012 6 0 "[ . 1 . 2]" 1
174 1 18 PHE QD 1 58 MET H . . 4.980 4.654 4.355 4.881 . 0 0 "[ . 1 . 2]" 1
175 1 18 PHE QD 1 58 MET QB . . 4.270 3.135 2.309 3.463 . 0 0 "[ . 1 . 2]" 1
176 1 18 PHE QD 1 58 MET HG2 . . 4.140 3.248 2.596 3.724 . 0 0 "[ . 1 . 2]" 1
177 1 18 PHE QD 1 60 VAL HB . . 4.630 3.774 3.097 4.497 . 0 0 "[ . 1 . 2]" 1
178 1 18 PHE QD 1 60 VAL QG . . 3.660 2.586 1.981 3.096 . 0 0 "[ . 1 . 2]" 1
179 1 18 PHE QD 1 122 VAL HA . . 4.680 3.988 3.478 4.349 . 0 0 "[ . 1 . 2]" 1
180 1 18 PHE QD 1 122 VAL MG2 . . 3.500 3.083 2.678 3.397 . 0 0 "[ . 1 . 2]" 1
181 1 18 PHE QD 1 125 ALA MB . . 4.560 4.333 3.992 4.566 0.006 11 0 "[ . 1 . 2]" 1
182 1 18 PHE QE 1 60 VAL HB . . 4.550 2.454 1.997 2.979 . 0 0 "[ . 1 . 2]" 1
183 1 18 PHE QE 1 60 VAL MG1 . . 4.230 3.659 2.873 4.108 . 0 0 "[ . 1 . 2]" 1
184 1 18 PHE QE 1 60 VAL QG . . 3.350 2.679 2.207 3.192 . 0 0 "[ . 1 . 2]" 1
185 1 18 PHE QE 1 60 VAL MG2 . . 4.230 2.766 2.278 3.388 . 0 0 "[ . 1 . 2]" 1
186 1 18 PHE QE 1 121 ASN HB2 . . 4.210 3.572 2.932 4.122 . 0 0 "[ . 1 . 2]" 1
187 1 18 PHE QE 1 121 ASN QB . . 3.660 2.740 2.149 3.273 . 0 0 "[ . 1 . 2]" 1
188 1 18 PHE QE 1 121 ASN HB3 . . 4.210 2.885 2.178 3.520 . 0 0 "[ . 1 . 2]" 1
189 1 18 PHE QE 1 122 VAL HA . . 4.420 3.827 3.271 4.255 . 0 0 "[ . 1 . 2]" 1
190 1 18 PHE QE 1 122 VAL MG2 . . 4.390 3.939 3.588 4.188 . 0 0 "[ . 1 . 2]" 1
191 1 18 PHE QE 1 125 ALA MB . . 4.050 2.853 2.505 3.172 . 0 0 "[ . 1 . 2]" 1
192 1 18 PHE HZ 1 122 VAL HA . . 4.990 4.342 3.842 4.795 . 0 0 "[ . 1 . 2]" 1
193 1 18 PHE HZ 1 125 ALA HA . . 5.500 5.138 4.544 5.427 . 0 0 "[ . 1 . 2]" 1
194 1 18 PHE HZ 1 125 ALA MB . . 4.030 2.740 2.237 3.102 . 0 0 "[ . 1 . 2]" 1
195 1 19 ARG H 1 19 ARG HB2 . . 3.510 2.581 2.336 2.866 . 0 0 "[ . 1 . 2]" 1
196 1 19 ARG H 1 19 ARG HB3 . . 3.510 2.562 2.359 2.740 . 0 0 "[ . 1 . 2]" 1
197 1 19 ARG H 1 19 ARG QD . . 4.700 4.380 4.176 4.561 . 0 0 "[ . 1 . 2]" 1
198 1 19 ARG H 1 19 ARG HG2 . . 5.260 4.474 4.315 4.685 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG H 1 19 ARG QG . . 4.540 4.003 3.924 4.047 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG H 1 19 ARG HG3 . . 5.260 4.530 4.291 4.667 . 0 0 "[ . 1 . 2]" 1
201 1 19 ARG H 1 20 VAL MG1 . . 4.440 3.822 3.653 3.997 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG H 1 122 VAL MG2 . . 5.500 5.056 4.655 5.501 0.001 17 0 "[ . 1 . 2]" 1
203 1 19 ARG HA 1 19 ARG QD . . 4.210 2.962 2.006 3.485 . 0 0 "[ . 1 . 2]" 1
204 1 19 ARG HA 1 19 ARG QG . . 3.380 2.486 2.227 2.941 . 0 0 "[ . 1 . 2]" 1
205 1 19 ARG HA 1 20 VAL H . . 3.080 2.149 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
206 1 19 ARG HA 1 20 VAL MG2 . . 4.320 3.897 3.780 4.190 . 0 0 "[ . 1 . 2]" 1
207 1 19 ARG HA 1 56 VAL H . . 5.500 5.148 4.995 5.294 . 0 0 "[ . 1 . 2]" 1
208 1 19 ARG HA 1 56 VAL MG2 . . 5.500 5.181 5.016 5.331 . 0 0 "[ . 1 . 2]" 1
209 1 19 ARG HA 1 57 ASN HA . . 3.860 3.033 2.901 3.362 . 0 0 "[ . 1 . 2]" 1
210 1 19 ARG HA 1 58 MET H . . 4.140 3.922 3.701 4.135 . 0 0 "[ . 1 . 2]" 1
211 1 19 ARG QB 1 19 ARG QD . . 3.310 2.353 2.079 2.722 . 0 0 "[ . 1 . 2]" 1
212 1 19 ARG QB 1 19 ARG HE . . 4.440 3.043 1.967 4.342 . 0 0 "[ . 1 . 2]" 1
213 1 19 ARG HB2 1 20 VAL H . . 4.510 4.415 4.278 4.521 0.011 19 0 "[ . 1 . 2]" 1
214 1 19 ARG HB3 1 20 VAL H . . 4.510 4.303 4.212 4.436 . 0 0 "[ . 1 . 2]" 1
215 1 19 ARG QD 1 20 VAL H . . 3.860 3.189 2.805 3.512 . 0 0 "[ . 1 . 2]" 1
216 1 19 ARG QD 1 20 VAL HA . . 4.580 3.444 2.696 4.575 . 0 0 "[ . 1 . 2]" 1
217 1 19 ARG QD 1 55 SER QB . . 4.680 3.480 2.450 4.662 . 0 0 "[ . 1 . 2]" 1
218 1 19 ARG QG 1 20 VAL H . . 3.430 3.235 2.869 3.433 0.003 9 0 "[ . 1 . 2]" 1
219 1 19 ARG QG 1 55 SER QB . . 4.130 3.844 3.307 4.134 0.004 16 0 "[ . 1 . 2]" 1
220 1 19 ARG QG 1 56 VAL H . . 5.330 4.992 4.561 5.252 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL H 1 20 VAL MG1 . . 3.800 3.063 2.865 3.228 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL H 1 20 VAL MG2 . . 3.380 2.287 2.111 2.489 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL H 1 21 GLN H . . 4.460 4.387 4.365 4.418 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL H 1 55 SER HA . . 5.410 4.901 4.566 5.162 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL H 1 55 SER QB . . 5.080 4.840 4.479 5.080 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL H 1 56 VAL H . . 3.730 3.596 3.410 3.730 0.000 16 0 "[ . 1 . 2]" 1
227 1 20 VAL H 1 56 VAL HA . . 5.500 5.163 4.904 5.338 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL H 1 56 VAL MG2 . . 4.170 3.696 3.463 3.867 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL H 1 57 ASN HA . . 4.140 3.262 2.897 3.585 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL H 1 58 MET H . . 4.500 3.795 3.518 4.278 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL HA 1 20 VAL MG1 . . 3.320 2.332 2.210 2.458 . 0 0 "[ . 1 . 2]" 1
232 1 20 VAL HA 1 20 VAL MG2 . . 3.640 3.190 3.172 3.202 . 0 0 "[ . 1 . 2]" 1
233 1 20 VAL HA 1 21 GLN H . . 3.450 2.568 2.404 2.645 . 0 0 "[ . 1 . 2]" 1
234 1 20 VAL HA 1 21 GLN HG3 . . 4.430 3.864 3.670 4.060 . 0 0 "[ . 1 . 2]" 1
235 1 20 VAL HA 1 56 VAL H . . 5.500 4.950 4.852 5.062 . 0 0 "[ . 1 . 2]" 1
236 1 20 VAL HA 1 56 VAL MG2 . . 5.500 4.974 4.686 5.198 . 0 0 "[ . 1 . 2]" 1
237 1 20 VAL HB 1 21 GLN H . . 3.290 2.091 1.947 2.407 . 0 0 "[ . 1 . 2]" 1
238 1 20 VAL HB 1 113 PHE QB . . 4.680 2.743 2.425 3.002 . 0 0 "[ . 1 . 2]" 1
239 1 20 VAL HB 1 114 TRP H . . 4.010 3.549 3.263 3.812 . 0 0 "[ . 1 . 2]" 1
240 1 20 VAL MG1 1 21 GLN H . . 3.760 3.624 3.504 3.754 . 0 0 "[ . 1 . 2]" 1
241 1 20 VAL MG1 1 58 MET H . . 4.470 3.801 3.037 4.216 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL MG1 1 113 PHE QD . . 5.180 4.839 4.606 5.098 . 0 0 "[ . 1 . 2]" 1
243 1 20 VAL MG1 1 114 TRP H . . 5.210 4.805 4.503 5.063 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL MG1 1 115 CYS H . . 4.560 4.212 3.765 4.523 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL MG1 1 115 CYS QB . . 4.640 3.282 3.002 3.497 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL MG1 1 116 GLU H . . 4.140 3.265 2.839 3.739 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL MG1 1 122 VAL MG2 . . 2.990 2.588 2.317 2.897 . 0 0 "[ . 1 . 2]" 1
248 1 20 VAL MG2 1 21 GLN H . . 3.740 3.014 2.637 3.288 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL MG2 1 56 VAL H . . 4.250 3.613 3.210 3.906 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL MG2 1 57 ASN HA . . 4.510 3.567 3.182 3.907 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL MG2 1 58 MET H . . 4.020 2.956 2.598 3.258 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL MG2 1 58 MET HB2 . . 4.070 2.098 1.962 2.356 . 0 0 "[ . 1 . 2]" 1
253 1 20 VAL MG2 1 58 MET HB3 . . 4.070 2.865 2.525 3.757 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL MG2 1 113 PHE QB . . 3.970 2.180 1.962 2.623 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL MG2 1 113 PHE QD . . 3.470 2.731 2.319 3.058 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL MG2 1 114 TRP H . . 4.380 4.165 3.818 4.378 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLN H 1 21 GLN HB2 . . 3.650 2.464 2.331 2.605 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLN H 1 21 GLN HG3 . . 4.230 3.255 3.037 3.419 . 0 0 "[ . 1 . 2]" 1
259 1 21 GLN H 1 22 TYR H . . 4.670 4.497 4.424 4.542 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLN H 1 56 VAL H . . 4.980 4.656 4.430 4.810 . 0 0 "[ . 1 . 2]" 1
261 1 21 GLN H 1 58 MET ME . . 5.500 5.253 5.005 5.456 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLN H 1 113 PHE QD . . 4.900 4.665 4.376 4.902 0.002 13 0 "[ . 1 . 2]" 1
263 1 21 GLN H 1 114 TRP H . . 3.880 2.794 2.557 3.023 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLN H 1 114 TRP HB3 . . 4.230 2.902 2.499 3.109 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLN HA 1 21 GLN HG2 . . 3.890 2.557 2.480 2.673 . 0 0 "[ . 1 . 2]" 1
266 1 21 GLN HA 1 21 GLN HG3 . . 4.180 2.757 2.604 2.918 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLN HA 1 22 TYR H . . 3.440 2.371 2.249 2.458 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLN HA 1 22 TYR HB2 . . 4.470 4.356 4.145 4.426 . 0 0 "[ . 1 . 2]" 1
269 1 21 GLN HA 1 55 SER HA . . 4.050 2.413 2.143 2.647 . 0 0 "[ . 1 . 2]" 1
270 1 21 GLN HA 1 56 VAL H . . 3.950 2.618 2.285 2.815 . 0 0 "[ . 1 . 2]" 1
271 1 21 GLN HA 1 56 VAL MG2 . . 4.590 3.027 2.521 3.484 . 0 0 "[ . 1 . 2]" 1
272 1 21 GLN HB2 1 23 LEU MD1 . . 4.120 3.722 3.249 3.988 . 0 0 "[ . 1 . 2]" 1
273 1 21 GLN HB2 1 53 TRP HB2 . . 5.070 3.641 3.375 3.871 . 0 0 "[ . 1 . 2]" 1
274 1 21 GLN HB2 1 53 TRP HB3 . . 4.790 3.943 3.574 4.265 . 0 0 "[ . 1 . 2]" 1
275 1 21 GLN HB2 1 53 TRP HE3 . . 4.360 3.170 2.799 3.546 . 0 0 "[ . 1 . 2]" 1
276 1 21 GLN HB2 1 114 TRP H . . 4.170 3.151 2.821 3.419 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLN HB2 1 114 TRP HB2 . . 4.430 3.329 3.042 3.613 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLN HB2 1 114 TRP HB3 . . 4.360 2.056 1.998 2.189 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLN HB3 1 21 GLN HE21 . . 4.130 2.613 2.050 2.974 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLN HB3 1 21 GLN HE22 . . 4.350 3.832 3.679 4.034 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLN HB3 1 22 TYR H . . 3.920 2.530 2.334 2.870 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLN HB3 1 23 LEU H . . 5.390 4.941 4.716 5.317 . 0 0 "[ . 1 . 2]" 1
283 1 21 GLN HB3 1 23 LEU MD1 . . 4.180 3.900 3.583 4.171 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLN HB3 1 53 TRP H . . 5.360 5.029 4.801 5.193 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLN HB3 1 53 TRP HA . . 4.950 4.412 4.123 4.718 . 0 0 "[ . 1 . 2]" 1
286 1 21 GLN HB3 1 53 TRP HB2 . . 4.600 2.368 2.019 2.619 . 0 0 "[ . 1 . 2]" 1
287 1 21 GLN HB3 1 53 TRP HB3 . . 4.450 2.459 2.181 2.842 . 0 0 "[ . 1 . 2]" 1
288 1 21 GLN HB3 1 53 TRP HE3 . . 4.600 3.188 2.845 3.489 . 0 0 "[ . 1 . 2]" 1
289 1 21 GLN HB3 1 114 TRP H . . 4.680 4.126 3.896 4.336 . 0 0 "[ . 1 . 2]" 1
290 1 21 GLN HE21 1 21 GLN HG2 . . 3.480 2.367 2.216 2.889 . 0 0 "[ . 1 . 2]" 1
291 1 21 GLN HE21 1 22 TYR H . . 4.980 4.488 4.221 4.759 . 0 0 "[ . 1 . 2]" 1
292 1 21 GLN HE21 1 53 TRP H . . 4.010 3.696 3.422 3.928 . 0 0 "[ . 1 . 2]" 1
293 1 21 GLN HE21 1 53 TRP HB2 . . 3.920 2.006 1.892 2.332 . 0 0 "[ . 1 . 2]" 1
294 1 21 GLN HE21 1 53 TRP HB3 . . 4.120 3.464 3.289 3.762 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLN HE22 1 21 GLN HG2 . . 3.730 3.536 3.475 3.766 0.036 16 0 "[ . 1 . 2]" 1
296 1 21 GLN HE22 1 50 LYS HB3 . . 5.330 5.124 4.841 5.324 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLN HE22 1 50 LYS QE . . 4.800 4.045 2.580 4.650 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLN HE22 1 50 LYS HG2 . . 4.390 3.709 2.869 4.295 . 0 0 "[ . 1 . 2]" 1
299 1 21 GLN HE22 1 50 LYS QG . . 3.780 2.831 2.533 3.183 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLN HE22 1 50 LYS HG3 . . 4.390 3.046 2.553 4.360 . 0 0 "[ . 1 . 2]" 1
301 1 21 GLN HE22 1 51 GLU HA . . 4.690 3.382 2.849 3.675 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLN HE22 1 53 TRP H . . 4.300 4.177 3.802 4.314 0.014 16 0 "[ . 1 . 2]" 1
303 1 21 GLN HE22 1 53 TRP HB2 . . 3.920 3.029 2.796 3.266 . 0 0 "[ . 1 . 2]" 1
304 1 21 GLN HE22 1 53 TRP HB3 . . 4.950 4.722 4.483 4.952 0.002 16 0 "[ . 1 . 2]" 1
305 1 21 GLN HG2 1 22 TYR H . . 3.840 3.683 3.480 3.836 . 0 0 "[ . 1 . 2]" 1
306 1 21 GLN HG2 1 53 TRP HB2 . . 4.710 3.631 3.309 3.975 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLN HG2 1 53 TRP HB3 . . 5.090 4.309 3.835 4.629 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLN HG2 1 55 SER HA . . 4.330 2.511 2.105 2.721 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLN HG2 1 55 SER QB . . 4.920 3.772 2.969 4.287 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLN HG2 1 56 VAL H . . 5.050 4.239 3.762 4.474 . 0 0 "[ . 1 . 2]" 1
311 1 21 GLN HG3 1 55 SER HA . . 4.740 3.122 2.887 3.600 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLN HG3 1 55 SER HB2 . . 5.500 5.062 4.059 5.488 . 0 0 "[ . 1 . 2]" 1
313 1 21 GLN HG3 1 55 SER HB3 . . 5.500 4.307 3.398 4.759 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLN HG3 1 56 VAL H . . 5.350 4.338 3.889 4.743 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLN HG3 1 114 TRP HB3 . . 4.600 4.002 3.723 4.341 . 0 0 "[ . 1 . 2]" 1
316 1 22 TYR H 1 22 TYR HB2 . . 3.890 2.934 2.567 3.078 . 0 0 "[ . 1 . 2]" 1
317 1 22 TYR H 1 22 TYR HB3 . . 4.070 2.594 2.519 2.855 . 0 0 "[ . 1 . 2]" 1
318 1 22 TYR H 1 22 TYR QD . . 4.320 4.293 4.245 4.332 0.012 4 0 "[ . 1 . 2]" 1
319 1 22 TYR H 1 23 LEU H . . 4.850 4.246 4.131 4.442 . 0 0 "[ . 1 . 2]" 1
320 1 22 TYR H 1 53 TRP HB2 . . 4.900 3.922 3.626 4.360 . 0 0 "[ . 1 . 2]" 1
321 1 22 TYR H 1 54 PRO QG . . 5.090 3.450 2.869 3.777 . 0 0 "[ . 1 . 2]" 1
322 1 22 TYR H 1 55 SER HA . . 4.090 3.975 3.738 4.093 0.003 17 0 "[ . 1 . 2]" 1
323 1 22 TYR H 1 56 VAL H . . 4.520 4.215 3.907 4.440 . 0 0 "[ . 1 . 2]" 1
324 1 22 TYR H 1 56 VAL MG1 . . 4.010 3.652 3.271 4.004 . 0 0 "[ . 1 . 2]" 1
325 1 22 TYR H 1 56 VAL MG2 . . 4.020 3.407 2.631 3.731 . 0 0 "[ . 1 . 2]" 1
326 1 22 TYR HA 1 22 TYR QD . . 3.770 2.046 1.991 2.141 . 0 0 "[ . 1 . 2]" 1
327 1 22 TYR HA 1 23 LEU MD1 . . 4.150 3.209 2.914 3.383 . 0 0 "[ . 1 . 2]" 1
328 1 22 TYR HA 1 24 GLY H . . 4.450 3.835 3.659 4.107 . 0 0 "[ . 1 . 2]" 1
329 1 22 TYR HA 1 113 PHE HA . . 4.100 3.034 2.717 3.320 . 0 0 "[ . 1 . 2]" 1
330 1 22 TYR HA 1 114 TRP H . . 4.440 4.099 3.798 4.380 . 0 0 "[ . 1 . 2]" 1
331 1 22 TYR HB2 1 23 LEU H . . 4.740 4.394 4.298 4.513 . 0 0 "[ . 1 . 2]" 1
332 1 22 TYR HB2 1 56 VAL MG1 . . 3.730 2.732 2.185 3.156 . 0 0 "[ . 1 . 2]" 1
333 1 22 TYR HB2 1 56 VAL MG2 . . 3.550 2.386 2.123 2.905 . 0 0 "[ . 1 . 2]" 1
334 1 22 TYR HB2 1 113 PHE QE . . 4.560 3.465 2.990 4.261 . 0 0 "[ . 1 . 2]" 1
335 1 22 TYR HB3 1 23 LEU H . . 5.070 4.331 4.110 4.419 . 0 0 "[ . 1 . 2]" 1
336 1 22 TYR HB3 1 54 PRO HG2 . . 4.200 2.420 2.168 2.647 . 0 0 "[ . 1 . 2]" 1
337 1 22 TYR HB3 1 54 PRO HG3 . . 4.200 3.825 3.264 4.081 . 0 0 "[ . 1 . 2]" 1
338 1 22 TYR HB3 1 56 VAL MG1 . . 4.200 3.205 2.821 3.983 . 0 0 "[ . 1 . 2]" 1
339 1 22 TYR QD 1 23 LEU H . . 3.900 2.735 2.020 3.048 . 0 0 "[ . 1 . 2]" 1
340 1 22 TYR QD 1 24 GLY H . . 4.030 2.954 2.079 3.402 . 0 0 "[ . 1 . 2]" 1
341 1 22 TYR QD 1 54 PRO HG2 . . 4.750 3.318 2.892 3.732 . 0 0 "[ . 1 . 2]" 1
342 1 22 TYR QD 1 54 PRO QG . . 4.150 3.142 2.752 3.510 . 0 0 "[ . 1 . 2]" 1
343 1 22 TYR QD 1 54 PRO HG3 . . 4.750 3.890 3.451 4.272 . 0 0 "[ . 1 . 2]" 1
344 1 22 TYR QD 1 56 VAL MG1 . . 4.130 3.847 3.379 4.130 0.000 17 0 "[ . 1 . 2]" 1
345 1 22 TYR QD 1 56 VAL MG2 . . 4.220 4.054 3.731 4.179 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR QD 1 77 LEU MD1 . . 4.570 3.521 2.665 3.973 . 0 0 "[ . 1 . 2]" 1
347 1 22 TYR QD 1 77 LEU QD . . 3.560 3.329 2.646 3.560 . 0 0 "[ . 1 . 2]" 1
348 1 22 TYR QD 1 77 LEU MD2 . . 4.570 4.247 3.638 4.589 0.019 5 0 "[ . 1 . 2]" 1
349 1 22 TYR QD 1 112 VAL H . . 4.350 4.117 3.750 4.314 . 0 0 "[ . 1 . 2]" 1
350 1 22 TYR QD 1 113 PHE QD . . 4.580 3.187 2.716 3.827 . 0 0 "[ . 1 . 2]" 1
351 1 22 TYR QD 1 113 PHE QE . . 4.130 2.977 2.497 3.540 . 0 0 "[ . 1 . 2]" 1
352 1 22 TYR QE 1 23 LEU H . . 4.510 4.333 4.050 4.506 . 0 0 "[ . 1 . 2]" 1
353 1 22 TYR QE 1 24 GLY H . . 4.250 3.022 2.751 3.397 . 0 0 "[ . 1 . 2]" 1
354 1 22 TYR QE 1 24 GLY QA . . 4.350 3.063 2.910 3.268 . 0 0 "[ . 1 . 2]" 1
355 1 22 TYR QE 1 25 MET H . . 4.570 4.248 4.002 4.530 . 0 0 "[ . 1 . 2]" 1
356 1 22 TYR QE 1 77 LEU QB . . 4.520 4.245 2.754 4.522 0.002 16 0 "[ . 1 . 2]" 1
357 1 22 TYR QE 1 77 LEU MD1 . . 4.890 4.410 3.206 4.826 . 0 0 "[ . 1 . 2]" 1
358 1 22 TYR QE 1 77 LEU QD . . 4.130 3.942 3.123 4.129 . 0 0 "[ . 1 . 2]" 1
359 1 22 TYR QE 1 77 LEU MD2 . . 4.890 4.510 3.854 4.801 . 0 0 "[ . 1 . 2]" 1
360 1 22 TYR QE 1 78 VAL MG2 . . 4.020 3.639 2.831 4.008 . 0 0 "[ . 1 . 2]" 1
361 1 22 TYR QE 1 111 HIS HB2 . . 5.500 4.903 4.423 5.380 . 0 0 "[ . 1 . 2]" 1
362 1 22 TYR QE 1 111 HIS HB3 . . 3.800 3.205 2.692 3.683 . 0 0 "[ . 1 . 2]" 1
363 1 22 TYR QE 1 112 VAL H . . 3.770 3.233 2.860 3.643 . 0 0 "[ . 1 . 2]" 1
364 1 23 LEU H 1 23 LEU HB2 . . 4.100 2.377 2.315 2.493 . 0 0 "[ . 1 . 2]" 1
365 1 23 LEU H 1 23 LEU HB3 . . 3.890 3.588 3.569 3.620 . 0 0 "[ . 1 . 2]" 1
366 1 23 LEU H 1 23 LEU MD1 . . 3.510 2.022 1.851 2.177 . 0 0 "[ . 1 . 2]" 1
367 1 23 LEU H 1 23 LEU MD2 . . 4.410 4.094 3.963 4.272 . 0 0 "[ . 1 . 2]" 1
368 1 23 LEU H 1 23 LEU HG . . 4.790 3.404 3.123 3.656 . 0 0 "[ . 1 . 2]" 1
369 1 23 LEU H 1 24 GLY H . . 3.420 2.459 2.236 2.653 . 0 0 "[ . 1 . 2]" 1
370 1 23 LEU H 1 24 GLY QA . . 5.340 4.399 4.250 4.471 . 0 0 "[ . 1 . 2]" 1
371 1 23 LEU H 1 44 LEU MD1 . . 4.930 4.598 4.109 4.797 . 0 0 "[ . 1 . 2]" 1
372 1 23 LEU H 1 112 VAL HB . . 4.740 3.800 3.527 4.030 . 0 0 "[ . 1 . 2]" 1
373 1 23 LEU H 1 113 PHE HA . . 3.830 3.133 2.834 3.312 . 0 0 "[ . 1 . 2]" 1
374 1 23 LEU H 1 113 PHE QD . . 4.750 4.388 4.086 4.746 . 0 0 "[ . 1 . 2]" 1
375 1 23 LEU H 1 114 TRP H . . 4.620 4.168 3.966 4.384 . 0 0 "[ . 1 . 2]" 1
376 1 23 LEU HA 1 23 LEU MD1 . . 3.550 3.251 3.124 3.360 . 0 0 "[ . 1 . 2]" 1
377 1 23 LEU HA 1 23 LEU MD2 . . 3.830 3.589 3.507 3.715 . 0 0 "[ . 1 . 2]" 1
378 1 23 LEU HA 1 23 LEU HG . . 3.610 2.418 2.334 2.531 . 0 0 "[ . 1 . 2]" 1
379 1 23 LEU HA 1 53 TRP HD1 . . 4.320 2.887 2.616 3.315 . 0 0 "[ . 1 . 2]" 1
380 1 23 LEU HA 1 53 TRP HE1 . . 4.540 3.614 3.311 4.053 . 0 0 "[ . 1 . 2]" 1
381 1 23 LEU HB2 1 23 LEU MD2 . . 3.660 2.615 2.514 2.704 . 0 0 "[ . 1 . 2]" 1
382 1 23 LEU HB2 1 24 GLY H . . 4.530 2.618 2.324 2.819 . 0 0 "[ . 1 . 2]" 1
383 1 23 LEU HB2 1 44 LEU MD1 . . 4.880 2.990 2.461 3.274 . 0 0 "[ . 1 . 2]" 1
384 1 23 LEU HB2 1 112 VAL HB . . 4.390 2.292 2.081 2.638 . 0 0 "[ . 1 . 2]" 1
385 1 23 LEU HB3 1 23 LEU MD2 . . 3.060 2.102 1.967 2.231 . 0 0 "[ . 1 . 2]" 1
386 1 23 LEU HB3 1 24 GLY H . . 4.430 3.558 3.259 3.835 . 0 0 "[ . 1 . 2]" 1
387 1 23 LEU HB3 1 44 LEU MD1 . . 3.680 3.221 2.949 3.520 . 0 0 "[ . 1 . 2]" 1
388 1 23 LEU HB3 1 45 MET HA . . 4.650 4.033 3.814 4.303 . 0 0 "[ . 1 . 2]" 1
389 1 23 LEU HB3 1 45 MET HG2 . . 3.920 3.912 3.868 3.948 0.028 5 0 "[ . 1 . 2]" 1
390 1 23 LEU HB3 1 53 TRP HE1 . . 4.910 4.015 3.469 4.568 . 0 0 "[ . 1 . 2]" 1
391 1 23 LEU MD1 1 24 GLY H . . 4.430 3.723 3.486 3.933 . 0 0 "[ . 1 . 2]" 1
392 1 23 LEU MD1 1 53 TRP HB3 . . 4.000 3.774 3.480 3.991 . 0 0 "[ . 1 . 2]" 1
393 1 23 LEU MD1 1 53 TRP HD1 . . 5.500 5.339 5.003 5.508 0.008 16 0 "[ . 1 . 2]" 1
394 1 23 LEU MD1 1 53 TRP HE3 . . 4.050 3.506 3.133 3.919 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU MD1 1 53 TRP HZ3 . . 4.490 3.881 3.496 4.240 . 0 0 "[ . 1 . 2]" 1
396 1 23 LEU MD1 1 96 THR MG . . 4.190 3.695 3.221 4.139 . 0 0 "[ . 1 . 2]" 1
397 1 23 LEU MD1 1 112 VAL HB . . 4.620 2.703 2.374 3.313 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU MD1 1 112 VAL MG1 . . 3.330 2.099 1.844 2.415 . 0 0 "[ . 1 . 2]" 1
399 1 23 LEU MD1 1 112 VAL MG2 . . 4.370 3.944 3.762 4.241 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU MD1 1 113 PHE H . . 4.620 3.323 3.099 3.547 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU MD1 1 113 PHE HA . . 3.730 2.349 2.108 2.619 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU MD1 1 114 TRP H . . 3.640 2.301 2.070 2.575 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU MD1 1 114 TRP HA . . 4.320 3.367 3.217 3.549 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU MD1 1 114 TRP HB2 . . 3.580 2.368 2.073 2.805 . 0 0 "[ . 1 . 2]" 1
405 1 23 LEU MD1 1 114 TRP HB3 . . 3.610 3.362 2.994 3.591 . 0 0 "[ . 1 . 2]" 1
406 1 23 LEU MD1 1 114 TRP HE3 . . 3.820 3.323 2.846 3.754 . 0 0 "[ . 1 . 2]" 1
407 1 23 LEU MD1 1 115 CYS H . . 5.260 5.147 4.988 5.257 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU MD2 1 24 GLY H . . 4.920 4.765 4.496 4.907 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU MD2 1 41 ILE MG . . 4.130 2.919 2.591 3.222 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU MD2 1 44 LEU H . . 5.140 5.032 4.916 5.128 . 0 0 "[ . 1 . 2]" 1
411 1 23 LEU MD2 1 44 LEU HA . . 5.440 5.420 5.338 5.447 0.007 16 0 "[ . 1 . 2]" 1
412 1 23 LEU MD2 1 44 LEU QB . . 3.200 3.101 2.976 3.203 0.003 12 0 "[ . 1 . 2]" 1
413 1 23 LEU MD2 1 44 LEU MD1 . . 3.820 3.589 3.391 3.765 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU MD2 1 45 MET H . . 4.020 3.399 3.106 3.821 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU MD2 1 45 MET HA . . 3.590 2.889 2.531 3.258 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU MD2 1 45 MET QB . . 4.300 3.616 3.421 3.836 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU MD2 1 45 MET ME . . 3.580 1.847 1.710 2.184 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU MD2 1 45 MET HG2 . . 3.640 1.916 1.818 2.172 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU MD2 1 45 MET HG3 . . 3.840 2.958 2.659 3.369 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU MD2 1 53 TRP HD1 . . 5.500 5.049 4.786 5.228 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU MD2 1 53 TRP HE1 . . 4.100 3.846 3.518 4.095 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU MD2 1 53 TRP HE3 . . 5.500 4.042 3.783 4.205 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU MD2 1 53 TRP HH2 . . 4.470 2.789 2.594 3.132 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU MD2 1 53 TRP HZ2 . . 3.810 2.757 2.560 2.935 . 0 0 "[ . 1 . 2]" 1
425 1 23 LEU MD2 1 53 TRP HZ3 . . 5.500 3.384 3.081 3.687 . 0 0 "[ . 1 . 2]" 1
426 1 23 LEU MD2 1 96 THR MG . . 3.970 3.305 3.138 3.504 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU MD2 1 112 VAL HB . . 3.940 3.310 3.071 3.546 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU MD2 1 112 VAL MG1 . . 3.210 2.260 1.977 2.683 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU MD2 1 112 VAL MG2 . . 3.930 3.800 3.583 3.912 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU MD2 1 114 TRP HE3 . . 5.220 3.133 2.729 3.407 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU HG 1 53 TRP HD1 . . 5.010 4.321 3.975 4.576 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU HG 1 53 TRP HE1 . . 4.250 4.014 3.638 4.255 0.005 9 0 "[ . 1 . 2]" 1
433 1 23 LEU HG 1 53 TRP HE3 . . 5.210 3.286 3.047 3.477 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLY H 1 25 MET H . . 4.430 4.414 4.387 4.439 0.009 7 0 "[ . 1 . 2]" 1
435 1 24 GLY H 1 44 LEU MD1 . . 4.370 3.130 2.553 3.493 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLY H 1 44 LEU MD2 . . 4.940 3.991 3.690 4.246 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLY H 1 112 VAL H . . 3.990 3.649 3.372 3.871 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLY H 1 112 VAL MG2 . . 5.500 4.482 4.169 4.963 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLY QA 1 44 LEU MD1 . . 4.380 2.946 2.524 3.340 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLY HA2 1 25 MET H . . 3.180 2.629 2.517 2.790 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLY HA2 1 44 LEU MD2 . . 4.680 3.520 3.299 3.838 . 0 0 "[ . 1 . 2]" 1
442 1 24 GLY HA3 1 25 MET H . . 3.180 2.502 2.360 2.611 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLY HA3 1 44 LEU MD2 . . 4.680 2.101 1.951 2.399 . 0 0 "[ . 1 . 2]" 1
444 1 25 MET H 1 25 MET HB2 . . 3.510 2.883 2.643 3.087 . 0 0 "[ . 1 . 2]" 1
445 1 25 MET H 1 25 MET HB3 . . 3.510 2.685 2.434 2.853 . 0 0 "[ . 1 . 2]" 1
446 1 25 MET H 1 25 MET ME . . 4.720 4.499 4.031 4.694 . 0 0 "[ . 1 . 2]" 1
447 1 25 MET H 1 25 MET HG2 . . 4.910 4.500 4.306 4.616 . 0 0 "[ . 1 . 2]" 1
448 1 25 MET H 1 25 MET QG . . 4.240 4.097 3.940 4.228 . 0 0 "[ . 1 . 2]" 1
449 1 25 MET H 1 25 MET HG3 . . 4.910 4.729 4.282 4.906 . 0 0 "[ . 1 . 2]" 1
450 1 25 MET H 1 26 LEU H . . 4.570 4.450 4.310 4.534 . 0 0 "[ . 1 . 2]" 1
451 1 25 MET H 1 26 LEU QD . . 5.410 4.861 4.612 5.223 . 0 0 "[ . 1 . 2]" 1
452 1 25 MET H 1 44 LEU MD1 . . 4.100 3.639 3.204 4.004 . 0 0 "[ . 1 . 2]" 1
453 1 25 MET H 1 44 LEU MD2 . . 3.630 2.583 2.224 2.968 . 0 0 "[ . 1 . 2]" 1
454 1 25 MET HA 1 25 MET ME . . 4.540 4.172 1.973 4.478 . 0 0 "[ . 1 . 2]" 1
455 1 25 MET HA 1 26 LEU H . . 3.170 2.198 2.148 2.273 . 0 0 "[ . 1 . 2]" 1
456 1 25 MET HA 1 44 LEU MD1 . . 4.310 3.138 2.845 3.347 . 0 0 "[ . 1 . 2]" 1
457 1 25 MET HA 1 44 LEU MD2 . . 4.650 3.432 3.176 3.697 . 0 0 "[ . 1 . 2]" 1
458 1 25 MET HA 1 111 HIS HA . . 4.350 2.933 2.647 3.334 . 0 0 "[ . 1 . 2]" 1
459 1 25 MET HA 1 112 VAL H . . 4.200 3.914 3.642 4.137 . 0 0 "[ . 1 . 2]" 1
460 1 25 MET QB 1 25 MET ME . . 3.150 2.347 1.988 3.025 . 0 0 "[ . 1 . 2]" 1
461 1 25 MET QB 1 26 LEU H . . 3.900 3.608 3.387 3.770 . 0 0 "[ . 1 . 2]" 1
462 1 25 MET HB2 1 25 MET ME . . 3.950 3.536 3.159 3.862 . 0 0 "[ . 1 . 2]" 1
463 1 25 MET HB2 1 26 LEU H . . 4.550 4.180 4.010 4.312 . 0 0 "[ . 1 . 2]" 1
464 1 25 MET HB3 1 25 MET ME . . 3.950 2.419 2.005 3.869 . 0 0 "[ . 1 . 2]" 1
465 1 25 MET HB3 1 26 LEU H . . 4.550 3.954 3.592 4.201 . 0 0 "[ . 1 . 2]" 1
466 1 25 MET ME 1 26 LEU H . . 4.200 3.897 1.773 4.168 . 0 0 "[ . 1 . 2]" 1
467 1 25 MET ME 1 27 PRO HD2 . . 4.740 4.065 3.688 4.758 0.018 5 0 "[ . 1 . 2]" 1
468 1 25 MET ME 1 27 PRO HD3 . . 3.890 2.609 2.229 3.904 0.014 5 0 "[ . 1 . 2]" 1
469 1 25 MET ME 1 110 CYS H . . 4.940 4.566 1.980 4.940 0.000 18 0 "[ . 1 . 2]" 1
470 1 25 MET QG 1 26 LEU H . . 3.710 2.542 2.203 2.961 . 0 0 "[ . 1 . 2]" 1
471 1 25 MET QG 1 111 HIS HE1 . . 4.670 2.659 2.268 4.109 . 0 0 "[ . 1 . 2]" 1
472 1 25 MET HG2 1 26 LEU H . . 4.280 2.674 2.245 4.273 . 0 0 "[ . 1 . 2]" 1
473 1 25 MET HG3 1 26 LEU H . . 4.280 3.610 2.636 4.265 . 0 0 "[ . 1 . 2]" 1
474 1 26 LEU H 1 26 LEU HB2 . . 3.780 2.989 2.823 3.159 . 0 0 "[ . 1 . 2]" 1
475 1 26 LEU H 1 26 LEU QB . . 3.250 2.673 2.564 2.805 . 0 0 "[ . 1 . 2]" 1
476 1 26 LEU H 1 26 LEU HB3 . . 3.780 3.019 2.823 3.167 . 0 0 "[ . 1 . 2]" 1
477 1 26 LEU H 1 26 LEU MD1 . . 4.690 4.204 4.085 4.265 . 0 0 "[ . 1 . 2]" 1
478 1 26 LEU H 1 26 LEU QD . . 4.060 3.741 3.684 3.769 . 0 0 "[ . 1 . 2]" 1
479 1 26 LEU H 1 26 LEU MD2 . . 4.690 4.201 4.054 4.373 . 0 0 "[ . 1 . 2]" 1
480 1 26 LEU H 1 26 LEU HG . . 5.500 5.059 4.952 5.184 . 0 0 "[ . 1 . 2]" 1
481 1 26 LEU H 1 27 PRO HD2 . . 4.810 4.647 4.562 4.721 . 0 0 "[ . 1 . 2]" 1
482 1 26 LEU H 1 27 PRO HD3 . . 4.750 4.274 4.108 4.434 . 0 0 "[ . 1 . 2]" 1
483 1 26 LEU H 1 44 LEU MD1 . . 4.190 3.337 2.879 3.764 . 0 0 "[ . 1 . 2]" 1
484 1 26 LEU H 1 44 LEU MD2 . . 4.100 3.758 3.429 4.030 . 0 0 "[ . 1 . 2]" 1
485 1 26 LEU H 1 44 LEU HG . . 5.500 5.043 4.636 5.375 . 0 0 "[ . 1 . 2]" 1
486 1 26 LEU H 1 110 CYS H . . 3.720 3.281 2.896 3.649 . 0 0 "[ . 1 . 2]" 1
487 1 26 LEU H 1 110 CYS HB2 . . 5.360 5.143 4.752 5.365 0.005 5 0 "[ . 1 . 2]" 1
488 1 26 LEU H 1 110 CYS HB3 . . 4.250 3.757 3.490 3.994 . 0 0 "[ . 1 . 2]" 1
489 1 26 LEU QB 1 27 PRO HD2 . . 3.850 3.736 3.675 3.767 . 0 0 "[ . 1 . 2]" 1
490 1 26 LEU QB 1 27 PRO HD3 . . 4.530 4.399 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
491 1 26 LEU QB 1 44 LEU MD1 . . 3.760 2.274 1.967 2.596 . 0 0 "[ . 1 . 2]" 1
492 1 26 LEU QB 1 44 LEU HG . . 4.030 2.437 2.259 2.716 . 0 0 "[ . 1 . 2]" 1
493 1 26 LEU QB 1 110 CYS H . . 4.540 4.296 3.993 4.487 . 0 0 "[ . 1 . 2]" 1
494 1 26 LEU HB2 1 27 PRO HD2 . . 4.420 4.222 4.113 4.274 . 0 0 "[ . 1 . 2]" 1
495 1 26 LEU HB2 1 27 PRO HD3 . . 5.150 4.930 4.861 4.959 . 0 0 "[ . 1 . 2]" 1
496 1 26 LEU HB2 1 44 LEU MD1 . . 4.550 2.332 2.000 2.646 . 0 0 "[ . 1 . 2]" 1
497 1 26 LEU HB3 1 27 PRO HD2 . . 4.420 4.171 4.069 4.292 . 0 0 "[ . 1 . 2]" 1
498 1 26 LEU HB3 1 27 PRO HD3 . . 5.150 4.948 4.901 5.009 . 0 0 "[ . 1 . 2]" 1
499 1 26 LEU HB3 1 44 LEU MD1 . . 4.550 3.182 2.787 3.756 . 0 0 "[ . 1 . 2]" 1
500 1 26 LEU QD 1 27 PRO HD2 . . 3.440 1.813 1.749 1.902 . 0 0 "[ . 1 . 2]" 1
501 1 26 LEU QD 1 27 PRO HD3 . . 3.700 3.020 2.933 3.087 . 0 0 "[ . 1 . 2]" 1
502 1 26 LEU QD 1 27 PRO QG . . 3.990 2.699 2.608 2.809 . 0 0 "[ . 1 . 2]" 1
503 1 26 LEU QD 1 40 ALA H . . 4.990 4.470 4.254 4.790 . 0 0 "[ . 1 . 2]" 1
504 1 26 LEU QD 1 40 ALA HA . . 3.230 2.540 2.201 2.886 . 0 0 "[ . 1 . 2]" 1
505 1 26 LEU QD 1 40 ALA MB . . 3.210 2.187 1.932 2.478 . 0 0 "[ . 1 . 2]" 1
506 1 26 LEU QD 1 43 ASN H . . 5.010 4.508 4.303 4.662 . 0 0 "[ . 1 . 2]" 1
507 1 26 LEU QD 1 43 ASN HB2 . . 3.180 2.787 2.567 2.965 . 0 0 "[ . 1 . 2]" 1
508 1 26 LEU QD 1 43 ASN HB3 . . 3.210 2.140 1.930 2.386 . 0 0 "[ . 1 . 2]" 1
509 1 26 LEU QD 1 43 ASN QD . . 3.050 2.039 1.806 2.525 . 0 0 "[ . 1 . 2]" 1
510 1 26 LEU QD 1 44 LEU H . . 4.020 3.999 3.852 4.027 0.007 7 0 "[ . 1 . 2]" 1
511 1 26 LEU QD 1 44 LEU HA . . 4.720 4.096 3.831 4.395 . 0 0 "[ . 1 . 2]" 1
512 1 26 LEU QD 1 44 LEU MD1 . . 3.680 3.554 3.353 3.675 . 0 0 "[ . 1 . 2]" 1
513 1 26 LEU QD 1 44 LEU MD2 . . 2.750 2.345 2.073 2.616 . 0 0 "[ . 1 . 2]" 1
514 1 26 LEU MD1 1 27 PRO HD2 . . 3.960 2.006 1.950 2.272 . 0 0 "[ . 1 . 2]" 1
515 1 26 LEU MD1 1 27 PRO HD3 . . 4.720 3.417 3.313 3.619 . 0 0 "[ . 1 . 2]" 1
516 1 26 LEU MD1 1 40 ALA HA . . 3.950 2.583 2.214 2.976 . 0 0 "[ . 1 . 2]" 1
517 1 26 LEU MD1 1 43 ASN HB2 . . 3.890 3.553 3.284 3.826 . 0 0 "[ . 1 . 2]" 1
518 1 26 LEU MD1 1 43 ASN HB3 . . 4.110 3.783 3.471 4.087 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU MD1 1 43 ASN HD21 . . 4.180 2.149 1.873 2.789 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU MD1 1 43 ASN HD22 . . 4.180 3.183 2.930 3.626 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU MD1 1 44 LEU MD1 . . 4.970 4.568 4.396 4.932 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU MD2 1 27 PRO HD2 . . 3.960 2.091 1.973 2.493 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU MD2 1 27 PRO HD3 . . 4.720 3.373 3.199 3.559 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU MD2 1 40 ALA HA . . 3.950 3.842 3.660 3.954 0.004 5 0 "[ . 1 . 2]" 1
525 1 26 LEU MD2 1 43 ASN HB2 . . 3.890 2.921 2.646 3.145 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU MD2 1 43 ASN HB3 . . 4.110 2.152 1.935 2.404 . 0 0 "[ . 1 . 2]" 1
527 1 26 LEU MD2 1 43 ASN HD21 . . 4.180 2.838 2.222 3.487 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU MD2 1 43 ASN HD22 . . 4.180 3.927 3.397 4.172 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU MD2 1 44 LEU MD1 . . 4.970 3.709 3.477 3.858 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU HG 1 40 ALA HA . . 4.180 2.209 2.003 2.452 . 0 0 "[ . 1 . 2]" 1
531 1 26 LEU HG 1 43 ASN H . . 5.450 4.407 4.185 4.629 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU HG 1 43 ASN HB2 . . 4.540 2.201 1.997 2.473 . 0 0 "[ . 1 . 2]" 1
533 1 26 LEU HG 1 43 ASN HB3 . . 4.250 2.827 2.508 3.063 . 0 0 "[ . 1 . 2]" 1
534 1 27 PRO HA 1 28 VAL H . . 3.110 2.226 2.178 2.323 . 0 0 "[ . 1 . 2]" 1
535 1 27 PRO HA 1 28 VAL MG2 . . 4.260 3.705 3.497 3.871 . 0 0 "[ . 1 . 2]" 1
536 1 27 PRO HA 1 110 CYS H . . 4.090 3.030 2.642 3.319 . 0 0 "[ . 1 . 2]" 1
537 1 27 PRO QB 1 28 VAL H . . 3.380 2.994 2.721 3.158 . 0 0 "[ . 1 . 2]" 1
538 1 27 PRO QB 1 110 CYS H . . 5.340 4.728 4.326 5.001 . 0 0 "[ . 1 . 2]" 1
539 1 27 PRO HB2 1 28 VAL H . . 3.930 3.148 2.822 3.346 . 0 0 "[ . 1 . 2]" 1
540 1 27 PRO HB3 1 28 VAL H . . 3.930 3.755 3.564 3.877 . 0 0 "[ . 1 . 2]" 1
541 1 27 PRO QG 1 28 VAL H . . 4.690 4.484 4.302 4.583 . 0 0 "[ . 1 . 2]" 1
542 1 28 VAL H 1 28 VAL HB . . 4.160 3.782 3.730 3.887 . 0 0 "[ . 1 . 2]" 1
543 1 28 VAL H 1 28 VAL MG1 . . 3.630 2.869 2.699 3.104 . 0 0 "[ . 1 . 2]" 1
544 1 28 VAL H 1 28 VAL MG2 . . 3.270 1.979 1.879 2.221 . 0 0 "[ . 1 . 2]" 1
545 1 28 VAL H 1 29 ASP H . . 4.520 4.468 4.371 4.527 0.007 16 0 "[ . 1 . 2]" 1
546 1 28 VAL H 1 108 PHE H . . 4.650 3.956 3.480 4.439 . 0 0 "[ . 1 . 2]" 1
547 1 28 VAL H 1 108 PHE HB2 . . 4.300 3.907 3.711 4.103 . 0 0 "[ . 1 . 2]" 1
548 1 28 VAL H 1 108 PHE HB3 . . 5.250 5.233 5.123 5.264 0.014 5 0 "[ . 1 . 2]" 1
549 1 28 VAL H 1 109 GLU H . . 5.290 5.087 4.829 5.277 . 0 0 "[ . 1 . 2]" 1
550 1 28 VAL H 1 109 GLU HA . . 3.800 3.330 2.953 3.788 . 0 0 "[ . 1 . 2]" 1
551 1 28 VAL H 1 110 CYS H . . 4.260 4.119 3.678 4.277 0.017 5 0 "[ . 1 . 2]" 1
552 1 28 VAL HB 1 29 ASP H . . 3.340 2.467 1.950 2.986 . 0 0 "[ . 1 . 2]" 1
553 1 28 VAL HB 1 30 ARG H . . 3.590 2.834 2.351 3.043 . 0 0 "[ . 1 . 2]" 1
554 1 28 VAL HB 1 36 THR MG . . 3.330 2.043 1.795 2.477 . 0 0 "[ . 1 . 2]" 1
555 1 28 VAL MG1 1 29 ASP H . . 3.880 3.685 3.459 3.876 . 0 0 "[ . 1 . 2]" 1
556 1 28 VAL MG1 1 30 ARG H . . 4.550 4.398 3.989 4.556 0.006 8 0 "[ . 1 . 2]" 1
557 1 28 VAL MG1 1 36 THR MG . . 3.110 2.376 2.085 2.726 . 0 0 "[ . 1 . 2]" 1
558 1 28 VAL MG1 1 40 ALA HA . . 4.980 4.362 3.969 4.644 . 0 0 "[ . 1 . 2]" 1
559 1 28 VAL MG1 1 40 ALA MB . . 3.210 2.434 2.245 2.596 . 0 0 "[ . 1 . 2]" 1
560 1 28 VAL MG1 1 110 CYS H . . 3.980 3.557 3.148 3.906 . 0 0 "[ . 1 . 2]" 1
561 1 28 VAL MG1 1 110 CYS HB2 . . 3.580 2.064 1.806 2.434 . 0 0 "[ . 1 . 2]" 1
562 1 28 VAL MG1 1 110 CYS HB3 . . 3.600 2.716 2.397 3.118 . 0 0 "[ . 1 . 2]" 1
563 1 28 VAL MG2 1 29 ASP H . . 3.970 3.470 2.984 3.945 . 0 0 "[ . 1 . 2]" 1
564 1 28 VAL MG2 1 30 ARG H . . 3.390 3.265 2.389 3.391 0.001 2 0 "[ . 1 . 2]" 1
565 1 28 VAL MG2 1 36 THR MG . . 3.240 3.163 2.911 3.246 0.006 5 0 "[ . 1 . 2]" 1
566 1 28 VAL MG2 1 40 ALA MB . . 4.750 4.503 3.920 4.737 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL MG2 1 108 PHE H . . 4.330 3.472 2.984 3.760 . 0 0 "[ . 1 . 2]" 1
568 1 28 VAL MG2 1 108 PHE HA . . 4.660 4.357 4.209 4.574 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL MG2 1 108 PHE HB2 . . 3.700 2.227 2.008 2.426 . 0 0 "[ . 1 . 2]" 1
570 1 28 VAL MG2 1 108 PHE HB3 . . 3.620 3.405 3.174 3.587 . 0 0 "[ . 1 . 2]" 1
571 1 28 VAL MG2 1 108 PHE QD . . 4.260 2.841 2.364 3.295 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL MG2 1 109 GLU H . . 4.550 4.321 3.914 4.509 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL MG2 1 109 GLU HA . . 4.600 3.758 3.346 4.177 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL MG2 1 110 CYS H . . 4.340 4.087 3.552 4.339 . 0 0 "[ . 1 . 2]" 1
575 1 28 VAL MG2 1 110 CYS HB2 . . 4.010 2.922 2.355 3.328 . 0 0 "[ . 1 . 2]" 1
576 1 29 ASP H 1 29 ASP QB . . 3.600 2.420 2.228 3.071 . 0 0 "[ . 1 . 2]" 1
577 1 29 ASP H 1 30 ARG H . . 3.170 2.271 1.971 2.692 . 0 0 "[ . 1 . 2]" 1
578 1 29 ASP H 1 36 THR MG . . 3.790 2.661 2.157 3.385 . 0 0 "[ . 1 . 2]" 1
579 1 29 ASP QB 1 30 ARG H . . 4.340 2.820 2.507 3.978 . 0 0 "[ . 1 . 2]" 1
580 1 29 ASP HB2 1 30 ARG H . . 5.090 3.266 2.569 4.436 . 0 0 "[ . 1 . 2]" 1
581 1 29 ASP HB3 1 30 ARG H . . 5.090 3.477 2.684 4.497 . 0 0 "[ . 1 . 2]" 1
582 1 30 ARG H 1 30 ARG HB2 . . 3.940 2.583 2.244 3.764 . 0 0 "[ . 1 . 2]" 1
583 1 30 ARG H 1 30 ARG QB . . 3.380 2.481 2.171 3.156 . 0 0 "[ . 1 . 2]" 1
584 1 30 ARG H 1 30 ARG HB3 . . 3.940 3.573 2.890 3.762 . 0 0 "[ . 1 . 2]" 1
585 1 30 ARG H 1 30 ARG HD2 . . 5.500 4.871 2.043 5.509 0.009 8 0 "[ . 1 . 2]" 1
586 1 30 ARG H 1 30 ARG HD3 . . 5.500 4.838 3.506 5.466 . 0 0 "[ . 1 . 2]" 1
587 1 30 ARG H 1 30 ARG QG . . 3.790 3.083 1.890 4.052 0.262 18 0 "[ . 1 . 2]" 1
588 1 30 ARG H 1 31 PRO HA . . 5.420 5.239 4.913 5.486 0.066 18 0 "[ . 1 . 2]" 1
589 1 30 ARG H 1 31 PRO HD2 . . 5.500 4.827 4.749 4.842 . 0 0 "[ . 1 . 2]" 1
590 1 30 ARG H 1 31 PRO HD3 . . 4.930 4.878 4.596 4.967 0.037 14 0 "[ . 1 . 2]" 1
591 1 30 ARG H 1 32 VAL H . . 5.500 5.276 4.781 5.516 0.016 13 0 "[ . 1 . 2]" 1
592 1 30 ARG H 1 36 THR MG . . 3.420 2.351 1.892 3.046 . 0 0 "[ . 1 . 2]" 1
593 1 30 ARG HA 1 30 ARG HD2 . . 5.320 4.036 2.746 5.422 0.102 14 0 "[ . 1 . 2]" 1
594 1 30 ARG HA 1 30 ARG QD . . 4.640 3.174 1.961 4.556 . 0 0 "[ . 1 . 2]" 1
595 1 30 ARG HA 1 30 ARG HD3 . . 5.320 3.400 2.009 4.917 . 0 0 "[ . 1 . 2]" 1
596 1 30 ARG HA 1 30 ARG QG . . 3.700 2.523 2.120 3.343 . 0 0 "[ . 1 . 2]" 1
597 1 30 ARG HA 1 31 PRO HD3 . . 3.810 2.266 2.254 2.343 . 0 0 "[ . 1 . 2]" 1
598 1 30 ARG HA 1 32 VAL H . . 4.450 3.969 3.545 4.289 . 0 0 "[ . 1 . 2]" 1
599 1 30 ARG QB 1 30 ARG QD . . 3.030 2.180 2.059 2.521 . 0 0 "[ . 1 . 2]" 1
600 1 30 ARG QB 1 32 VAL H . . 3.390 2.641 2.294 3.398 0.008 18 0 "[ . 1 . 2]" 1
601 1 30 ARG HB2 1 31 PRO HD2 . . 4.310 3.794 2.059 4.306 . 0 0 "[ . 1 . 2]" 1
602 1 30 ARG HB3 1 31 PRO HD2 . . 4.310 2.656 2.185 4.135 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG HD2 1 32 VAL H . . 5.500 4.674 3.447 5.519 0.019 8 0 "[ . 1 . 2]" 1
604 1 30 ARG HD3 1 32 VAL H . . 5.500 4.529 3.570 5.497 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG QG 1 31 PRO HD2 . . 4.120 3.390 2.462 4.097 . 0 0 "[ . 1 . 2]" 1
606 1 30 ARG QG 1 32 VAL H . . 4.890 4.361 2.337 4.877 . 0 0 "[ . 1 . 2]" 1
607 1 31 PRO HA 1 86 SER HG . . 4.190 3.114 2.540 3.427 . 0 0 "[ . 1 . 2]" 1
608 1 31 PRO HA 1 100 ILE HB . . 4.940 4.319 3.702 4.942 0.002 19 0 "[ . 1 . 2]" 1
609 1 31 PRO HA 1 100 ILE MD . . 4.180 3.512 2.708 4.200 0.020 17 0 "[ . 1 . 2]" 1
610 1 31 PRO HA 1 100 ILE MG . . 3.560 2.637 1.952 3.164 . 0 0 "[ . 1 . 2]" 1
611 1 31 PRO HA 1 108 PHE QD . . 4.740 2.592 2.148 3.453 . 0 0 "[ . 1 . 2]" 1
612 1 31 PRO HA 1 108 PHE QE . . 4.800 3.502 2.529 4.559 . 0 0 "[ . 1 . 2]" 1
613 1 31 PRO QB 1 32 VAL MG1 . . 4.700 2.728 2.445 2.958 . 0 0 "[ . 1 . 2]" 1
614 1 31 PRO QB 1 108 PHE QE . . 4.200 2.437 2.033 3.380 . 0 0 "[ . 1 . 2]" 1
615 1 31 PRO QB 1 108 PHE HZ . . 4.550 3.578 2.902 4.121 . 0 0 "[ . 1 . 2]" 1
616 1 31 PRO HB2 1 108 PHE QE . . 4.940 4.023 3.587 4.939 . 0 0 "[ . 1 . 2]" 1
617 1 31 PRO HB3 1 108 PHE QE . . 4.940 2.460 2.044 3.442 . 0 0 "[ . 1 . 2]" 1
618 1 31 PRO HD2 1 32 VAL H . . 3.750 2.676 2.646 2.784 . 0 0 "[ . 1 . 2]" 1
619 1 31 PRO HD2 1 32 VAL MG2 . . 4.160 3.512 3.287 3.778 . 0 0 "[ . 1 . 2]" 1
620 1 31 PRO HD2 1 108 PHE QE . . 4.650 3.809 3.534 4.413 . 0 0 "[ . 1 . 2]" 1
621 1 31 PRO HD3 1 32 VAL H . . 4.280 3.854 3.835 3.916 . 0 0 "[ . 1 . 2]" 1
622 1 31 PRO HD3 1 108 PHE QE . . 4.570 2.166 1.996 2.779 . 0 0 "[ . 1 . 2]" 1
623 1 31 PRO HD3 1 108 PHE HZ . . 4.600 4.258 3.803 4.529 . 0 0 "[ . 1 . 2]" 1
624 1 31 PRO HG2 1 32 VAL H . . 3.340 2.508 2.165 2.929 . 0 0 "[ . 1 . 2]" 1
625 1 31 PRO HG2 1 32 VAL MG1 . . 3.510 3.018 2.673 3.376 . 0 0 "[ . 1 . 2]" 1
626 1 31 PRO HG2 1 32 VAL MG2 . . 3.600 2.595 2.297 2.895 . 0 0 "[ . 1 . 2]" 1
627 1 31 PRO HG3 1 32 VAL H . . 4.300 3.985 3.729 4.299 . 0 0 "[ . 1 . 2]" 1
628 1 31 PRO HG3 1 32 VAL MG1 . . 4.710 4.284 4.046 4.572 . 0 0 "[ . 1 . 2]" 1
629 1 31 PRO HG3 1 32 VAL MG2 . . 4.430 4.161 3.902 4.423 . 0 0 "[ . 1 . 2]" 1
630 1 31 PRO HG3 1 108 PHE QE . . 5.020 2.955 2.030 4.268 . 0 0 "[ . 1 . 2]" 1
631 1 32 VAL H 1 32 VAL HB . . 4.040 3.847 3.710 3.925 . 0 0 "[ . 1 . 2]" 1
632 1 32 VAL H 1 32 VAL MG1 . . 3.810 2.994 2.691 3.214 . 0 0 "[ . 1 . 2]" 1
633 1 32 VAL H 1 32 VAL MG2 . . 3.310 2.231 2.023 2.371 . 0 0 "[ . 1 . 2]" 1
634 1 32 VAL H 1 33 GLY H . . 4.490 4.430 4.377 4.498 0.008 13 0 "[ . 1 . 2]" 1
635 1 32 VAL HA 1 32 VAL MG1 . . 3.350 2.325 2.211 2.460 . 0 0 "[ . 1 . 2]" 1
636 1 32 VAL HA 1 32 VAL MG2 . . 3.650 3.199 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
637 1 32 VAL HA 1 33 GLY H . . 3.420 2.445 2.244 2.649 . 0 0 "[ . 1 . 2]" 1
638 1 32 VAL HA 1 87 PHE HB2 . . 4.300 3.074 2.492 3.546 . 0 0 "[ . 1 . 2]" 1
639 1 32 VAL HA 1 87 PHE QD . . 5.000 2.941 2.610 3.359 . 0 0 "[ . 1 . 2]" 1
640 1 32 VAL HA 1 87 PHE HZ . . 5.500 5.462 5.272 5.507 0.007 13 0 "[ . 1 . 2]" 1
641 1 32 VAL HA 1 100 ILE MD . . 4.220 3.269 2.811 3.680 . 0 0 "[ . 1 . 2]" 1
642 1 32 VAL HB 1 33 GLY H . . 3.510 2.343 1.896 2.830 . 0 0 "[ . 1 . 2]" 1
643 1 32 VAL MG1 1 33 GLY H . . 3.860 3.670 3.399 3.861 0.001 15 0 "[ . 1 . 2]" 1
644 1 32 VAL MG1 1 86 SER HA . . 5.500 4.966 4.667 5.265 . 0 0 "[ . 1 . 2]" 1
645 1 32 VAL MG1 1 86 SER QB . . 4.460 3.895 3.451 4.472 0.012 20 0 "[ . 1 . 2]" 1
646 1 32 VAL MG1 1 86 SER HG . . 4.180 3.502 2.792 4.145 . 0 0 "[ . 1 . 2]" 1
647 1 32 VAL MG1 1 87 PHE HB2 . . 4.260 2.023 1.874 2.243 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL MG1 1 87 PHE HB3 . . 3.860 2.927 2.335 3.672 . 0 0 "[ . 1 . 2]" 1
649 1 32 VAL MG1 1 87 PHE QD . . 4.250 2.947 2.042 3.382 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL MG1 1 87 PHE QE . . 4.720 4.293 3.889 4.611 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL MG1 1 173 GLU HG2 . . 3.660 2.616 1.985 3.480 . 0 0 "[ . 1 . 2]" 1
652 1 32 VAL MG1 1 173 GLU HG3 . . 3.660 3.253 2.227 3.676 0.016 20 0 "[ . 1 . 2]" 1
653 1 32 VAL MG2 1 33 GLY H . . 3.750 3.323 2.907 3.751 0.001 20 0 "[ . 1 . 2]" 1
654 1 32 VAL MG2 1 33 GLY QA . . 4.050 3.383 3.154 3.655 . 0 0 "[ . 1 . 2]" 1
655 1 32 VAL MG2 1 173 GLU QG . . 4.290 4.056 3.382 4.289 . 0 0 "[ . 1 . 2]" 1
656 1 33 GLY H 1 34 MET H . . 4.260 3.355 3.120 3.637 . 0 0 "[ . 1 . 2]" 1
657 1 33 GLY H 1 87 PHE QE . . 4.540 3.472 2.950 3.897 . 0 0 "[ . 1 . 2]" 1
658 1 33 GLY H 1 87 PHE HZ . . 4.540 4.173 3.779 4.462 . 0 0 "[ . 1 . 2]" 1
659 1 33 GLY QA 1 35 ASP H . . 3.980 3.347 3.097 3.676 . 0 0 "[ . 1 . 2]" 1
660 1 33 GLY QA 1 36 THR H . . 3.890 3.258 3.121 3.480 . 0 0 "[ . 1 . 2]" 1
661 1 33 GLY QA 1 87 PHE QE . . 4.720 4.477 4.082 4.713 . 0 0 "[ . 1 . 2]" 1
662 1 33 GLY HA2 1 35 ASP H . . 4.530 3.688 3.437 4.020 . 0 0 "[ . 1 . 2]" 1
663 1 33 GLY HA2 1 36 THR H . . 4.500 4.321 4.219 4.499 . 0 0 "[ . 1 . 2]" 1
664 1 33 GLY HA3 1 35 ASP H . . 4.530 3.838 3.519 4.314 . 0 0 "[ . 1 . 2]" 1
665 1 33 GLY HA3 1 36 THR H . . 4.500 3.371 3.216 3.623 . 0 0 "[ . 1 . 2]" 1
666 1 34 MET H 1 34 MET QB . . 3.370 2.259 2.177 2.477 . 0 0 "[ . 1 . 2]" 1
667 1 34 MET H 1 34 MET ME . . 4.540 4.032 3.474 4.268 . 0 0 "[ . 1 . 2]" 1
668 1 34 MET H 1 34 MET HG2 . . 3.970 2.725 2.208 2.927 . 0 0 "[ . 1 . 2]" 1
669 1 34 MET H 1 34 MET HG3 . . 3.970 3.582 3.291 3.709 . 0 0 "[ . 1 . 2]" 1
670 1 34 MET H 1 87 PHE QE . . 4.380 3.958 3.421 4.357 . 0 0 "[ . 1 . 2]" 1
671 1 34 MET HA 1 37 LEU H . . 3.990 3.224 2.990 3.404 . 0 0 "[ . 1 . 2]" 1
672 1 34 MET QB 1 35 ASP H . . 4.000 2.696 2.428 2.970 . 0 0 "[ . 1 . 2]" 1
673 1 34 MET QB 1 38 ASN QD . . 4.060 2.776 1.862 3.261 . 0 0 "[ . 1 . 2]" 1
674 1 34 MET HB2 1 36 THR H . . 5.500 5.074 4.849 5.227 . 0 0 "[ . 1 . 2]" 1
675 1 34 MET HB3 1 36 THR H . . 5.500 5.175 4.886 5.504 0.004 15 0 "[ . 1 . 2]" 1
676 1 34 MET ME 1 34 MET HG2 . . 3.570 2.349 2.074 3.389 . 0 0 "[ . 1 . 2]" 1
677 1 34 MET ME 1 34 MET QG . . 3.110 2.232 2.050 2.549 . 0 0 "[ . 1 . 2]" 1
678 1 34 MET ME 1 34 MET HG3 . . 3.570 3.229 2.584 3.390 . 0 0 "[ . 1 . 2]" 1
679 1 34 MET ME 1 36 THR H . . 5.500 5.290 4.901 5.498 . 0 0 "[ . 1 . 2]" 1
680 1 34 MET ME 1 37 LEU H . . 4.480 4.073 3.640 4.456 . 0 0 "[ . 1 . 2]" 1
681 1 34 MET ME 1 37 LEU QD . . 3.110 1.910 1.685 2.259 . 0 0 "[ . 1 . 2]" 1
682 1 34 MET ME 1 38 ASN H . . 4.200 3.562 2.896 4.003 . 0 0 "[ . 1 . 2]" 1
683 1 34 MET ME 1 38 ASN HD21 . . 3.540 2.817 2.183 3.450 . 0 0 "[ . 1 . 2]" 1
684 1 34 MET ME 1 38 ASN QD . . 3.100 2.407 1.909 2.919 . 0 0 "[ . 1 . 2]" 1
685 1 34 MET ME 1 38 ASN HD22 . . 3.540 2.706 2.108 3.335 . 0 0 "[ . 1 . 2]" 1
686 1 34 MET ME 1 87 PHE QE . . 4.340 2.332 1.979 3.497 . 0 0 "[ . 1 . 2]" 1
687 1 34 MET ME 1 89 GLY H . . 4.620 3.972 3.593 4.435 . 0 0 "[ . 1 . 2]" 1
688 1 34 MET ME 1 89 GLY HA2 . . 3.870 3.372 2.992 3.693 . 0 0 "[ . 1 . 2]" 1
689 1 34 MET ME 1 89 GLY QA . . 3.350 2.010 1.789 2.311 . 0 0 "[ . 1 . 2]" 1
690 1 34 MET ME 1 89 GLY HA3 . . 3.870 2.026 1.803 2.335 . 0 0 "[ . 1 . 2]" 1
691 1 34 MET ME 1 90 VAL H . . 3.440 2.627 2.120 3.263 . 0 0 "[ . 1 . 2]" 1
692 1 34 MET ME 1 172 TYR H . . 5.500 5.026 4.278 5.483 . 0 0 "[ . 1 . 2]" 1
693 1 34 MET QG 1 87 PHE QE . . 4.020 3.073 2.439 3.612 . 0 0 "[ . 1 . 2]" 1
694 1 34 MET HG2 1 87 PHE QE . . 4.750 3.123 2.457 3.749 . 0 0 "[ . 1 . 2]" 1
695 1 34 MET HG3 1 87 PHE QE . . 4.750 4.626 4.135 4.759 0.009 5 0 "[ . 1 . 2]" 1
696 1 35 ASP H 1 35 ASP HB2 . . 3.690 2.562 2.230 3.583 . 0 0 "[ . 1 . 2]" 1
697 1 35 ASP H 1 35 ASP QB . . 3.210 2.325 2.167 2.661 . 0 0 "[ . 1 . 2]" 1
698 1 35 ASP H 1 35 ASP HB3 . . 3.690 3.162 2.334 3.593 . 0 0 "[ . 1 . 2]" 1
699 1 35 ASP H 1 36 THR H . . 3.220 2.720 2.466 2.891 . 0 0 "[ . 1 . 2]" 1
700 1 35 ASP H 1 36 THR HA . . 5.460 5.328 5.112 5.460 0.000 2 0 "[ . 1 . 2]" 1
701 1 35 ASP H 1 36 THR HB . . 5.260 5.009 4.717 5.191 . 0 0 "[ . 1 . 2]" 1
702 1 35 ASP H 1 37 LEU H . . 4.370 4.294 4.145 4.369 . 0 0 "[ . 1 . 2]" 1
703 1 35 ASP HA 1 37 LEU H . . 5.030 4.785 4.585 5.016 . 0 0 "[ . 1 . 2]" 1
704 1 35 ASP HA 1 38 ASN H . . 4.390 4.115 3.866 4.321 . 0 0 "[ . 1 . 2]" 1
705 1 35 ASP HA 1 38 ASN QB . . 4.240 3.307 2.991 3.721 . 0 0 "[ . 1 . 2]" 1
706 1 35 ASP HA 1 38 ASN QD . . 4.680 3.997 2.450 4.683 0.003 17 0 "[ . 1 . 2]" 1
707 1 35 ASP QB 1 36 THR H . . 3.380 2.900 2.529 3.403 0.023 15 0 "[ . 1 . 2]" 1
708 1 35 ASP HB2 1 36 THR H . . 3.900 3.328 2.577 3.900 . 14 0 "[ . 1 . 2]" 1
709 1 35 ASP HB3 1 36 THR H . . 3.900 3.506 2.743 3.903 0.003 13 0 "[ . 1 . 2]" 1
710 1 36 THR H 1 36 THR HB . . 3.180 2.504 2.392 2.600 . 0 0 "[ . 1 . 2]" 1
711 1 36 THR H 1 36 THR MG . . 3.780 3.780 3.743 3.817 0.037 17 0 "[ . 1 . 2]" 1
712 1 36 THR H 1 37 LEU H . . 3.380 2.432 2.242 2.577 . 0 0 "[ . 1 . 2]" 1
713 1 36 THR H 1 37 LEU HB2 . . 4.870 4.683 4.498 4.871 0.001 9 0 "[ . 1 . 2]" 1
714 1 36 THR H 1 37 LEU HB3 . . 4.870 4.630 4.368 4.882 0.012 15 0 "[ . 1 . 2]" 1
715 1 36 THR H 1 38 ASN H . . 4.650 4.104 3.849 4.624 . 0 0 "[ . 1 . 2]" 1
716 1 36 THR H 1 100 ILE MD . . 5.500 5.377 5.118 5.513 0.013 17 0 "[ . 1 . 2]" 1
717 1 36 THR HA 1 36 THR MG . . 3.250 2.373 2.268 2.475 . 0 0 "[ . 1 . 2]" 1
718 1 36 THR HA 1 37 LEU H . . 3.550 3.548 3.533 3.563 0.013 18 0 "[ . 1 . 2]" 1
719 1 36 THR HA 1 39 SER H . . 4.100 3.492 3.335 3.784 . 0 0 "[ . 1 . 2]" 1
720 1 36 THR HA 1 39 SER QB . . 3.910 2.518 2.125 2.720 . 0 0 "[ . 1 . 2]" 1
721 1 36 THR HB 1 37 LEU H . . 3.390 2.543 2.374 2.655 . 0 0 "[ . 1 . 2]" 1
722 1 36 THR HB 1 100 ILE MD . . 4.320 3.907 3.655 4.324 0.004 17 0 "[ . 1 . 2]" 1
723 1 36 THR MG 1 37 LEU H . . 4.090 3.427 3.201 3.576 . 0 0 "[ . 1 . 2]" 1
724 1 37 LEU H 1 37 LEU HB2 . . 3.630 2.419 2.286 2.561 . 0 0 "[ . 1 . 2]" 1
725 1 37 LEU H 1 37 LEU HB3 . . 3.630 2.596 2.446 2.785 . 0 0 "[ . 1 . 2]" 1
726 1 37 LEU H 1 37 LEU QD . . 4.250 3.693 3.602 3.721 . 0 0 "[ . 1 . 2]" 1
727 1 37 LEU H 1 37 LEU HG . . 4.570 4.427 4.381 4.484 . 0 0 "[ . 1 . 2]" 1
728 1 37 LEU H 1 38 ASN H . . 3.740 2.825 2.701 3.152 . 0 0 "[ . 1 . 2]" 1
729 1 37 LEU H 1 39 SER H . . 4.320 4.089 3.848 4.316 . 0 0 "[ . 1 . 2]" 1
730 1 37 LEU H 1 100 ILE MD . . 3.840 3.728 3.487 3.841 0.001 10 0 "[ . 1 . 2]" 1
731 1 37 LEU HA 1 37 LEU QD . . 3.670 3.033 2.443 3.112 . 0 0 "[ . 1 . 2]" 1
732 1 37 LEU HA 1 37 LEU HG . . 3.780 2.471 2.402 2.659 . 0 0 "[ . 1 . 2]" 1
733 1 37 LEU HA 1 40 ALA H . . 4.130 3.795 3.494 4.026 . 0 0 "[ . 1 . 2]" 1
734 1 37 LEU HA 1 40 ALA MB . . 3.990 3.134 2.925 3.387 . 0 0 "[ . 1 . 2]" 1
735 1 37 LEU HA 1 98 ALA MB . . 4.920 4.587 4.247 4.867 . 0 0 "[ . 1 . 2]" 1
736 1 37 LEU HA 1 100 ILE MD . . 4.320 2.926 2.510 3.148 . 0 0 "[ . 1 . 2]" 1
737 1 37 LEU HA 1 100 ILE QG . . 5.140 3.688 3.330 3.840 . 0 0 "[ . 1 . 2]" 1
738 1 37 LEU QB 1 38 ASN H . . 3.460 2.349 2.022 2.497 . 0 0 "[ . 1 . 2]" 1
739 1 37 LEU QB 1 100 ILE MD . . 4.650 2.436 1.953 3.067 . 0 0 "[ . 1 . 2]" 1
740 1 37 LEU HB2 1 38 ASN H . . 4.020 3.721 3.482 3.849 . 0 0 "[ . 1 . 2]" 1
741 1 37 LEU HB3 1 38 ASN H . . 4.020 2.375 2.036 2.529 . 0 0 "[ . 1 . 2]" 1
742 1 37 LEU QD 1 38 ASN H . . 4.050 2.924 2.663 3.245 . 0 0 "[ . 1 . 2]" 1
743 1 37 LEU QD 1 39 SER H . . 5.420 4.663 4.307 4.952 . 0 0 "[ . 1 . 2]" 1
744 1 37 LEU QD 1 87 PHE HB2 . . 5.500 5.293 4.888 5.418 . 0 0 "[ . 1 . 2]" 1
745 1 37 LEU QD 1 87 PHE QD . . 4.150 2.480 2.148 2.789 . 0 0 "[ . 1 . 2]" 1
746 1 37 LEU QD 1 87 PHE QE . . 4.450 2.439 2.123 2.748 . 0 0 "[ . 1 . 2]" 1
747 1 37 LEU QD 1 87 PHE HZ . . 4.450 4.043 3.813 4.286 . 0 0 "[ . 1 . 2]" 1
748 1 37 LEU QD 1 88 MET HA . . 4.240 2.806 2.342 3.201 . 0 0 "[ . 1 . 2]" 1
749 1 37 LEU QD 1 89 GLY H . . 3.810 2.413 2.078 2.797 . 0 0 "[ . 1 . 2]" 1
750 1 37 LEU QD 1 89 GLY QA . . 3.630 2.343 1.925 2.735 . 0 0 "[ . 1 . 2]" 1
751 1 37 LEU QD 1 90 VAL H . . 4.400 3.592 3.097 3.886 . 0 0 "[ . 1 . 2]" 1
752 1 37 LEU QD 1 91 GLY H . . 4.650 3.873 3.439 4.251 . 0 0 "[ . 1 . 2]" 1
753 1 37 LEU QD 1 98 ALA H . . 3.790 3.294 3.121 3.527 . 0 0 "[ . 1 . 2]" 1
754 1 37 LEU QD 1 98 ALA MB . . 3.050 2.029 1.799 2.398 . 0 0 "[ . 1 . 2]" 1
755 1 37 LEU QD 1 99 PHE H . . 4.590 4.037 3.677 4.271 . 0 0 "[ . 1 . 2]" 1
756 1 37 LEU QD 1 99 PHE HA . . 4.020 2.820 2.379 3.120 . 0 0 "[ . 1 . 2]" 1
757 1 37 LEU QD 1 100 ILE H . . 4.380 3.468 3.120 3.778 . 0 0 "[ . 1 . 2]" 1
758 1 37 LEU QD 1 100 ILE QG . . 3.470 2.714 2.232 3.394 . 0 0 "[ . 1 . 2]" 1
759 1 37 LEU HG 1 38 ASN H . . 4.570 4.434 3.763 4.580 0.010 17 0 "[ . 1 . 2]" 1
760 1 37 LEU HG 1 98 ALA MB . . 3.630 2.753 2.483 3.043 . 0 0 "[ . 1 . 2]" 1
761 1 38 ASN H 1 38 ASN HB2 . . 3.610 2.315 2.182 2.589 . 0 0 "[ . 1 . 2]" 1
762 1 38 ASN H 1 38 ASN HB3 . . 3.610 3.544 3.492 3.603 . 0 0 "[ . 1 . 2]" 1
763 1 38 ASN H 1 38 ASN HD21 . . 4.470 2.246 1.863 3.490 . 0 0 "[ . 1 . 2]" 1
764 1 38 ASN H 1 38 ASN QD . . 3.700 2.213 1.857 3.275 . 0 0 "[ . 1 . 2]" 1
765 1 38 ASN H 1 38 ASN HD22 . . 4.470 3.698 3.314 3.965 . 0 0 "[ . 1 . 2]" 1
766 1 38 ASN H 1 39 SER H . . 3.380 2.656 2.540 2.805 . 0 0 "[ . 1 . 2]" 1
767 1 38 ASN H 1 39 SER HB2 . . 5.500 4.852 4.538 5.166 . 0 0 "[ . 1 . 2]" 1
768 1 38 ASN H 1 39 SER HB3 . . 5.500 5.030 4.608 5.363 . 0 0 "[ . 1 . 2]" 1
769 1 38 ASN H 1 40 ALA H . . 4.680 4.070 3.916 4.345 . 0 0 "[ . 1 . 2]" 1
770 1 38 ASN H 1 41 ILE HG13 . . 5.350 4.562 4.245 4.775 . 0 0 "[ . 1 . 2]" 1
771 1 38 ASN HA 1 41 ILE H . . 3.990 3.046 2.913 3.259 . 0 0 "[ . 1 . 2]" 1
772 1 38 ASN HA 1 41 ILE HB . . 4.190 2.995 2.600 3.202 . 0 0 "[ . 1 . 2]" 1
773 1 38 ASN HA 1 41 ILE MD . . 3.640 2.069 1.939 2.318 . 0 0 "[ . 1 . 2]" 1
774 1 38 ASN HA 1 41 ILE MG . . 4.280 4.178 3.901 4.291 0.011 17 0 "[ . 1 . 2]" 1
775 1 38 ASN HA 1 42 GLU H . . 4.630 4.287 3.990 4.508 . 0 0 "[ . 1 . 2]" 1
776 1 38 ASN QB 1 38 ASN QD . . 3.090 2.287 2.064 2.430 . 0 0 "[ . 1 . 2]" 1
777 1 38 ASN QB 1 40 ALA H . . 4.820 4.405 4.275 4.704 . 0 0 "[ . 1 . 2]" 1
778 1 38 ASN HB2 1 39 SER H . . 3.900 2.792 2.453 3.121 . 0 0 "[ . 1 . 2]" 1
779 1 38 ASN HB3 1 39 SER H . . 3.900 3.508 3.136 3.883 . 0 0 "[ . 1 . 2]" 1
780 1 39 SER H 1 39 SER HB2 . . 3.370 2.403 2.182 2.710 . 0 0 "[ . 1 . 2]" 1
781 1 39 SER H 1 39 SER QB . . 2.940 2.220 2.136 2.285 . 0 0 "[ . 1 . 2]" 1
782 1 39 SER H 1 39 SER HB3 . . 3.370 2.705 2.405 3.038 . 0 0 "[ . 1 . 2]" 1
783 1 39 SER H 1 40 ALA H . . 3.220 2.704 2.508 2.896 . 0 0 "[ . 1 . 2]" 1
784 1 39 SER H 1 41 ILE H . . 4.610 4.216 3.999 4.426 . 0 0 "[ . 1 . 2]" 1
785 1 39 SER HA 1 42 GLU H . . 4.300 4.154 3.926 4.300 . 0 0 "[ . 1 . 2]" 1
786 1 39 SER HA 1 42 GLU HB2 . . 3.800 3.618 3.435 3.794 . 0 0 "[ . 1 . 2]" 1
787 1 39 SER QB 1 40 ALA H . . 3.400 2.988 2.817 3.118 . 0 0 "[ . 1 . 2]" 1
788 1 40 ALA H 1 40 ALA MB . . 2.980 2.153 2.073 2.258 . 0 0 "[ . 1 . 2]" 1
789 1 40 ALA H 1 41 ILE H . . 3.320 2.309 2.208 2.419 . 0 0 "[ . 1 . 2]" 1
790 1 40 ALA H 1 41 ILE HB . . 4.980 4.612 4.476 4.838 . 0 0 "[ . 1 . 2]" 1
791 1 40 ALA H 1 41 ILE MD . . 4.910 4.775 4.527 4.899 . 0 0 "[ . 1 . 2]" 1
792 1 40 ALA H 1 41 ILE HG12 . . 5.500 5.192 4.788 5.454 . 0 0 "[ . 1 . 2]" 1
793 1 40 ALA H 1 41 ILE HG13 . . 4.120 3.655 3.355 3.826 . 0 0 "[ . 1 . 2]" 1
794 1 40 ALA H 1 42 GLU H . . 4.570 4.422 4.257 4.569 . 0 0 "[ . 1 . 2]" 1
795 1 40 ALA HA 1 43 ASN H . . 3.940 3.737 3.549 3.860 . 0 0 "[ . 1 . 2]" 1
796 1 40 ALA HA 1 43 ASN HB2 . . 3.810 2.607 2.308 2.758 . 0 0 "[ . 1 . 2]" 1
797 1 40 ALA HA 1 43 ASN HB3 . . 4.150 4.061 3.782 4.150 . 0 0 "[ . 1 . 2]" 1
798 1 40 ALA HA 1 43 ASN HD21 . . 4.600 2.377 1.943 2.686 . 0 0 "[ . 1 . 2]" 1
799 1 40 ALA HA 1 43 ASN QD . . 3.920 2.344 1.935 2.655 . 0 0 "[ . 1 . 2]" 1
800 1 40 ALA HA 1 43 ASN HD22 . . 4.600 3.645 3.198 4.150 . 0 0 "[ . 1 . 2]" 1
801 1 40 ALA HA 1 44 LEU H . . 4.720 4.631 4.407 4.724 0.004 16 0 "[ . 1 . 2]" 1
802 1 40 ALA MB 1 41 ILE H . . 3.510 2.808 2.592 3.038 . 0 0 "[ . 1 . 2]" 1
803 1 40 ALA MB 1 110 CYS H . . 5.140 4.506 4.220 4.868 . 0 0 "[ . 1 . 2]" 1
804 1 40 ALA MB 1 110 CYS HB2 . . 4.200 3.567 3.061 3.988 . 0 0 "[ . 1 . 2]" 1
805 1 40 ALA MB 1 110 CYS HB3 . . 3.920 2.639 2.249 3.007 . 0 0 "[ . 1 . 2]" 1
806 1 40 ALA MB 1 112 VAL MG2 . . 3.500 3.321 3.043 3.497 . 0 0 "[ . 1 . 2]" 1
807 1 41 ILE H 1 41 ILE HB . . 3.430 2.602 2.487 2.683 . 0 0 "[ . 1 . 2]" 1
808 1 41 ILE H 1 41 ILE MD . . 3.630 3.523 3.360 3.614 . 0 0 "[ . 1 . 2]" 1
809 1 41 ILE H 1 41 ILE HG12 . . 3.470 3.254 2.974 3.444 . 0 0 "[ . 1 . 2]" 1
810 1 41 ILE H 1 41 ILE HG13 . . 3.590 1.997 1.919 2.195 . 0 0 "[ . 1 . 2]" 1
811 1 41 ILE H 1 41 ILE MG . . 3.850 3.765 3.758 3.775 . 0 0 "[ . 1 . 2]" 1
812 1 41 ILE H 1 42 GLU H . . 3.660 2.884 2.732 3.077 . 0 0 "[ . 1 . 2]" 1
813 1 41 ILE H 1 43 ASN H . . 4.470 4.228 3.770 4.472 0.002 12 0 "[ . 1 . 2]" 1
814 1 41 ILE H 1 112 VAL MG1 . . 5.170 5.012 4.589 5.167 . 0 0 "[ . 1 . 2]" 1
815 1 41 ILE H 1 112 VAL MG2 . . 4.410 3.876 3.513 4.110 . 0 0 "[ . 1 . 2]" 1
816 1 41 ILE HA 1 41 ILE MD . . 4.210 3.843 3.807 3.894 . 0 0 "[ . 1 . 2]" 1
817 1 41 ILE HA 1 41 ILE HG12 . . 4.130 2.574 2.488 2.683 . 0 0 "[ . 1 . 2]" 1
818 1 41 ILE HA 1 41 ILE MG . . 3.410 2.362 2.250 2.458 . 0 0 "[ . 1 . 2]" 1
819 1 41 ILE HA 1 43 ASN H . . 5.160 4.690 4.265 4.973 . 0 0 "[ . 1 . 2]" 1
820 1 41 ILE HA 1 44 LEU H . . 4.620 3.845 3.639 3.978 . 0 0 "[ . 1 . 2]" 1
821 1 41 ILE HA 1 44 LEU MD1 . . 4.300 2.903 2.672 3.164 . 0 0 "[ . 1 . 2]" 1
822 1 41 ILE HA 1 44 LEU HG . . 4.450 4.187 3.894 4.399 . 0 0 "[ . 1 . 2]" 1
823 1 41 ILE HA 1 112 VAL MG1 . . 3.650 3.151 2.532 3.503 . 0 0 "[ . 1 . 2]" 1
824 1 41 ILE HA 1 112 VAL MG2 . . 3.410 2.174 1.952 2.637 . 0 0 "[ . 1 . 2]" 1
825 1 41 ILE HB 1 41 ILE MD . . 3.570 2.394 2.231 2.536 . 0 0 "[ . 1 . 2]" 1
826 1 41 ILE HB 1 42 GLU H . . 3.280 2.185 2.080 2.299 . 0 0 "[ . 1 . 2]" 1
827 1 41 ILE MD 1 41 ILE MG . . 2.900 2.029 1.920 2.191 . 0 0 "[ . 1 . 2]" 1
828 1 41 ILE MD 1 42 GLU H . . 4.300 4.213 4.030 4.292 . 0 0 "[ . 1 . 2]" 1
829 1 41 ILE MD 1 45 MET ME . . 4.850 4.412 3.867 4.837 . 0 0 "[ . 1 . 2]" 1
830 1 41 ILE MD 1 91 GLY H . . 3.770 2.793 2.437 3.130 . 0 0 "[ . 1 . 2]" 1
831 1 41 ILE MD 1 91 GLY HA2 . . 3.740 2.436 2.027 2.851 . 0 0 "[ . 1 . 2]" 1
832 1 41 ILE MD 1 91 GLY HA3 . . 3.740 2.105 1.841 2.389 . 0 0 "[ . 1 . 2]" 1
833 1 41 ILE MD 1 92 LYS H . . 4.200 3.553 2.919 4.127 . 0 0 "[ . 1 . 2]" 1
834 1 41 ILE MD 1 93 ASP H . . 4.960 4.732 4.275 4.947 . 0 0 "[ . 1 . 2]" 1
835 1 41 ILE MD 1 96 THR HB . . 3.970 3.390 2.969 3.804 . 0 0 "[ . 1 . 2]" 1
836 1 41 ILE MD 1 96 THR MG . . 4.120 3.858 3.497 4.103 . 0 0 "[ . 1 . 2]" 1
837 1 41 ILE MD 1 97 PHE H . . 5.020 4.736 4.430 5.000 . 0 0 "[ . 1 . 2]" 1
838 1 41 ILE HG12 1 41 ILE MG . . 3.670 2.331 2.265 2.417 . 0 0 "[ . 1 . 2]" 1
839 1 41 ILE HG12 1 42 GLU H . . 5.400 4.777 4.632 4.860 . 0 0 "[ . 1 . 2]" 1
840 1 41 ILE HG12 1 112 VAL MG2 . . 3.830 2.234 1.958 2.565 . 0 0 "[ . 1 . 2]" 1
841 1 41 ILE MG 1 42 GLU H . . 3.710 3.169 2.881 3.399 . 0 0 "[ . 1 . 2]" 1
842 1 41 ILE MG 1 42 GLU HA . . 3.750 3.408 3.071 3.694 . 0 0 "[ . 1 . 2]" 1
843 1 41 ILE MG 1 42 GLU QG . . 4.120 3.731 3.482 3.974 . 0 0 "[ . 1 . 2]" 1
844 1 41 ILE MG 1 45 MET H . . 4.680 3.764 3.612 3.954 . 0 0 "[ . 1 . 2]" 1
845 1 41 ILE MG 1 45 MET ME . . 3.530 2.597 1.976 3.181 . 0 0 "[ . 1 . 2]" 1
846 1 41 ILE MG 1 45 MET HG2 . . 4.480 3.171 2.585 3.434 . 0 0 "[ . 1 . 2]" 1
847 1 41 ILE MG 1 45 MET HG3 . . 3.790 2.174 1.996 2.366 . 0 0 "[ . 1 . 2]" 1
848 1 41 ILE MG 1 91 GLY H . . 4.900 4.502 4.042 4.886 . 0 0 "[ . 1 . 2]" 1
849 1 41 ILE MG 1 91 GLY QA . . 4.150 3.307 2.933 3.533 . 0 0 "[ . 1 . 2]" 1
850 1 41 ILE MG 1 93 ASP H . . 5.260 4.981 4.624 5.259 . 0 0 "[ . 1 . 2]" 1
851 1 41 ILE MG 1 96 THR HB . . 3.700 3.164 2.820 3.483 . 0 0 "[ . 1 . 2]" 1
852 1 41 ILE MG 1 96 THR MG . . 3.290 3.024 2.744 3.294 0.004 14 0 "[ . 1 . 2]" 1
853 1 41 ILE MG 1 97 PHE H . . 5.410 4.866 4.552 5.249 . 0 0 "[ . 1 . 2]" 1
854 1 42 GLU H 1 42 GLU HB2 . . 3.070 2.269 2.222 2.487 . 0 0 "[ . 1 . 2]" 1
855 1 42 GLU H 1 42 GLU HG2 . . 3.740 3.260 2.697 3.743 0.003 4 0 "[ . 1 . 2]" 1
856 1 42 GLU H 1 42 GLU QG . . 3.220 2.706 2.501 3.087 . 0 0 "[ . 1 . 2]" 1
857 1 42 GLU H 1 42 GLU HG3 . . 3.740 3.150 2.547 3.720 . 0 0 "[ . 1 . 2]" 1
858 1 42 GLU H 1 43 ASN H . . 3.450 2.871 2.766 3.018 . 0 0 "[ . 1 . 2]" 1
859 1 42 GLU H 1 44 LEU H . . 4.680 4.366 4.091 4.631 . 0 0 "[ . 1 . 2]" 1
860 1 42 GLU HA 1 42 GLU HG2 . . 3.820 2.406 2.167 3.665 . 0 0 "[ . 1 . 2]" 1
861 1 42 GLU HA 1 42 GLU QG . . 3.270 2.298 2.129 2.554 . 0 0 "[ . 1 . 2]" 1
862 1 42 GLU HA 1 42 GLU HG3 . . 3.820 3.266 2.432 3.658 . 0 0 "[ . 1 . 2]" 1
863 1 42 GLU HA 1 45 MET H . . 3.830 3.305 2.875 3.668 . 0 0 "[ . 1 . 2]" 1
864 1 42 GLU HA 1 45 MET HB2 . . 4.400 2.220 2.050 2.411 . 0 0 "[ . 1 . 2]" 1
865 1 42 GLU HA 1 45 MET QB . . 3.790 2.207 2.040 2.393 . 0 0 "[ . 1 . 2]" 1
866 1 42 GLU HA 1 45 MET HB3 . . 4.400 3.835 3.587 4.007 . 0 0 "[ . 1 . 2]" 1
867 1 42 GLU HA 1 45 MET HG2 . . 4.550 4.277 3.423 4.548 . 0 0 "[ . 1 . 2]" 1
868 1 42 GLU HA 1 46 THR H . . 4.380 3.646 3.376 3.862 . 0 0 "[ . 1 . 2]" 1
869 1 42 GLU HA 1 46 THR MG . . 4.370 3.675 3.298 4.388 0.018 6 0 "[ . 1 . 2]" 1
870 1 42 GLU HB2 1 43 ASN H . . 3.430 2.620 2.395 2.817 . 0 0 "[ . 1 . 2]" 1
871 1 42 GLU HB3 1 46 THR MG . . 3.930 3.186 2.857 3.804 . 0 0 "[ . 1 . 2]" 1
872 1 42 GLU QG 1 43 ASN H . . 4.770 4.254 4.134 4.515 . 0 0 "[ . 1 . 2]" 1
873 1 43 ASN H 1 43 ASN HB2 . . 3.090 2.376 2.271 2.513 . 0 0 "[ . 1 . 2]" 1
874 1 43 ASN H 1 43 ASN HB3 . . 3.730 3.584 3.546 3.617 . 0 0 "[ . 1 . 2]" 1
875 1 43 ASN H 1 43 ASN HD21 . . 4.560 3.943 3.233 4.236 . 0 0 "[ . 1 . 2]" 1
876 1 43 ASN H 1 43 ASN QD . . 3.870 3.677 3.132 3.872 0.002 17 0 "[ . 1 . 2]" 1
877 1 43 ASN H 1 43 ASN HD22 . . 4.560 4.422 4.194 4.547 . 0 0 "[ . 1 . 2]" 1
878 1 43 ASN H 1 44 LEU HG . . 5.500 4.737 4.537 4.866 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASN HA 1 43 ASN HD21 . . 4.750 4.354 4.123 4.425 . 0 0 "[ . 1 . 2]" 1
880 1 43 ASN HA 1 43 ASN QD . . 4.080 3.943 3.761 4.018 . 0 0 "[ . 1 . 2]" 1
881 1 43 ASN HA 1 43 ASN HD22 . . 4.750 4.508 4.340 4.607 . 0 0 "[ . 1 . 2]" 1
882 1 43 ASN HB2 1 43 ASN QD . . 3.170 2.287 2.100 2.412 . 0 0 "[ . 1 . 2]" 1
883 1 43 ASN HB2 1 43 ASN HD22 . . 3.740 3.514 3.435 3.568 . 0 0 "[ . 1 . 2]" 1
884 1 43 ASN HB2 1 44 LEU H . . 3.730 2.742 2.410 3.038 . 0 0 "[ . 1 . 2]" 1
885 1 43 ASN HB2 1 44 LEU HG . . 5.020 3.323 3.095 3.522 . 0 0 "[ . 1 . 2]" 1
886 1 43 ASN HB3 1 43 ASN QD . . 3.470 2.734 2.578 3.050 . 0 0 "[ . 1 . 2]" 1
887 1 43 ASN HB3 1 44 LEU H . . 3.580 3.365 3.052 3.589 0.009 17 0 "[ . 1 . 2]" 1
888 1 43 ASN HB3 1 44 LEU HA . . 4.680 4.176 4.033 4.302 . 0 0 "[ . 1 . 2]" 1
889 1 43 ASN HB3 1 44 LEU MD2 . . 4.230 3.988 3.684 4.198 . 0 0 "[ . 1 . 2]" 1
890 1 43 ASN HB3 1 44 LEU HG . . 4.640 3.682 3.432 3.927 . 0 0 "[ . 1 . 2]" 1
891 1 44 LEU H 1 44 LEU MD1 . . 3.870 3.401 3.174 3.617 . 0 0 "[ . 1 . 2]" 1
892 1 44 LEU H 1 44 LEU MD2 . . 3.860 3.640 3.418 3.793 . 0 0 "[ . 1 . 2]" 1
893 1 44 LEU H 1 44 LEU HG . . 3.130 2.332 2.085 2.570 . 0 0 "[ . 1 . 2]" 1
894 1 44 LEU H 1 45 MET H . . 3.390 2.549 2.304 2.794 . 0 0 "[ . 1 . 2]" 1
895 1 44 LEU HA 1 44 LEU MD1 . . 4.090 3.939 3.911 3.964 . 0 0 "[ . 1 . 2]" 1
896 1 44 LEU HA 1 44 LEU MD2 . . 2.940 2.388 2.115 2.628 . 0 0 "[ . 1 . 2]" 1
897 1 44 LEU HA 1 46 THR H . . 4.490 4.213 3.855 4.506 0.016 5 0 "[ . 1 . 2]" 1
898 1 44 LEU HA 1 47 SER H . . 4.220 3.262 2.988 3.517 . 0 0 "[ . 1 . 2]" 1
899 1 44 LEU QB 1 44 LEU MD2 . . 2.940 2.124 1.993 2.274 . 0 0 "[ . 1 . 2]" 1
900 1 44 LEU QB 1 112 VAL MG2 . . 4.490 3.600 3.228 3.975 . 0 0 "[ . 1 . 2]" 1
901 1 44 LEU HB2 1 45 MET H . . 3.830 2.318 2.137 2.612 . 0 0 "[ . 1 . 2]" 1
902 1 44 LEU HB3 1 45 MET H . . 3.830 3.479 3.334 3.659 . 0 0 "[ . 1 . 2]" 1
903 1 44 LEU MD1 1 45 MET H . . 4.670 4.010 3.703 4.399 . 0 0 "[ . 1 . 2]" 1
904 1 44 LEU MD1 1 112 VAL H . . 4.090 3.323 3.036 3.548 . 0 0 "[ . 1 . 2]" 1
905 1 44 LEU MD1 1 112 VAL HB . . 3.400 2.626 2.259 3.052 . 0 0 "[ . 1 . 2]" 1
906 1 44 LEU MD1 1 112 VAL MG1 . . 3.840 3.456 3.128 3.837 . 0 0 "[ . 1 . 2]" 1
907 1 44 LEU MD1 1 112 VAL MG2 . . 3.150 1.922 1.730 2.362 . 0 0 "[ . 1 . 2]" 1
908 1 44 LEU MD2 1 45 MET H . . 4.780 4.680 4.616 4.754 . 0 0 "[ . 1 . 2]" 1
909 1 44 LEU MD2 1 47 SER H . . 5.500 5.113 4.991 5.300 . 0 0 "[ . 1 . 2]" 1
910 1 45 MET H 1 45 MET HB2 . . 3.810 2.589 2.504 2.722 . 0 0 "[ . 1 . 2]" 1
911 1 45 MET H 1 45 MET QB . . 3.100 2.533 2.459 2.643 . 0 0 "[ . 1 . 2]" 1
912 1 45 MET H 1 45 MET HB3 . . 3.810 3.600 3.585 3.617 . 0 0 "[ . 1 . 2]" 1
913 1 45 MET H 1 45 MET ME . . 4.950 4.533 4.363 4.657 . 0 0 "[ . 1 . 2]" 1
914 1 45 MET H 1 45 MET HG2 . . 3.830 2.847 2.202 3.007 . 0 0 "[ . 1 . 2]" 1
915 1 45 MET H 1 45 MET HG3 . . 3.600 2.353 1.938 3.297 . 0 0 "[ . 1 . 2]" 1
916 1 45 MET H 1 46 THR H . . 3.280 2.899 2.681 3.136 . 0 0 "[ . 1 . 2]" 1
917 1 45 MET H 1 47 SER H . . 4.630 4.306 3.974 4.628 . 0 0 "[ . 1 . 2]" 1
918 1 45 MET HA 1 45 MET ME . . 4.180 3.927 3.588 4.194 0.014 5 0 "[ . 1 . 2]" 1
919 1 45 MET HA 1 45 MET HG2 . . 3.700 2.403 2.322 2.613 . 0 0 "[ . 1 . 2]" 1
920 1 45 MET HA 1 45 MET HG3 . . 4.170 3.384 3.267 3.728 . 0 0 "[ . 1 . 2]" 1
921 1 45 MET HA 1 53 TRP HH2 . . 4.690 4.139 3.283 4.589 . 0 0 "[ . 1 . 2]" 1
922 1 45 MET HA 1 53 TRP HZ2 . . 3.950 2.209 2.009 2.490 . 0 0 "[ . 1 . 2]" 1
923 1 45 MET QB 1 53 TRP HZ2 . . 4.550 3.223 2.779 3.457 . 0 0 "[ . 1 . 2]" 1
924 1 45 MET HB2 1 46 THR H . . 3.820 2.616 2.341 2.849 . 0 0 "[ . 1 . 2]" 1
925 1 45 MET HB3 1 46 THR H . . 3.820 3.635 3.235 3.813 . 0 0 "[ . 1 . 2]" 1
926 1 45 MET ME 1 53 TRP HH2 . . 3.480 2.187 1.850 2.871 . 0 0 "[ . 1 . 2]" 1
927 1 45 MET ME 1 53 TRP HZ2 . . 5.500 3.440 2.750 4.019 . 0 0 "[ . 1 . 2]" 1
928 1 45 MET ME 1 53 TRP HZ3 . . 4.450 3.325 3.029 3.757 . 0 0 "[ . 1 . 2]" 1
929 1 45 MET ME 1 96 THR HB . . 3.920 3.463 3.131 3.872 . 0 0 "[ . 1 . 2]" 1
930 1 45 MET ME 1 96 THR MG . . 3.080 1.930 1.770 2.213 . 0 0 "[ . 1 . 2]" 1
931 1 45 MET ME 1 114 TRP HE3 . . 3.430 2.531 2.172 2.825 . 0 0 "[ . 1 . 2]" 1
932 1 45 MET ME 1 114 TRP HH2 . . 4.310 4.128 3.715 4.319 0.009 5 0 "[ . 1 . 2]" 1
933 1 45 MET ME 1 114 TRP HZ3 . . 3.160 2.078 1.831 2.304 . 0 0 "[ . 1 . 2]" 1
934 1 45 MET HG2 1 46 THR H . . 4.990 4.786 4.429 4.912 . 0 0 "[ . 1 . 2]" 1
935 1 45 MET HG2 1 53 TRP HZ2 . . 4.770 3.111 2.603 3.944 . 0 0 "[ . 1 . 2]" 1
936 1 45 MET HG2 1 96 THR MG . . 4.910 4.610 4.249 4.904 . 0 0 "[ . 1 . 2]" 1
937 1 45 MET HG3 1 46 THR H . . 4.530 4.334 4.018 4.562 0.032 5 0 "[ . 1 . 2]" 1
938 1 45 MET HG3 1 46 THR MG . . 5.500 5.183 4.859 5.456 . 0 0 "[ . 1 . 2]" 1
939 1 45 MET HG3 1 53 TRP HH2 . . 5.190 5.045 4.790 5.198 0.008 16 0 "[ . 1 . 2]" 1
940 1 45 MET HG3 1 53 TRP HZ2 . . 5.250 4.658 4.264 5.097 . 0 0 "[ . 1 . 2]" 1
941 1 45 MET HG3 1 96 THR MG . . 5.500 4.821 4.429 5.232 . 0 0 "[ . 1 . 2]" 1
942 1 46 THR H 1 46 THR HG1 . . 4.270 3.314 1.906 4.264 . 0 0 "[ . 1 . 2]" 1
943 1 46 THR H 1 46 THR MG . . 3.240 2.229 1.952 2.419 . 0 0 "[ . 1 . 2]" 1
944 1 46 THR HA 1 46 THR MG . . 3.040 2.549 2.252 3.198 0.158 12 0 "[ . 1 . 2]" 1
945 1 46 THR HB 1 47 SER H . . 4.120 3.704 3.271 4.107 . 0 0 "[ . 1 . 2]" 1
946 1 46 THR MG 1 47 SER H . . 3.950 3.438 1.958 3.947 . 0 0 "[ . 1 . 2]" 1
947 1 47 SER H 1 47 SER QB . . 3.160 2.338 2.179 2.717 . 0 0 "[ . 1 . 2]" 1
948 1 47 SER QB 1 48 SER H . . 3.040 2.223 1.913 3.031 . 0 0 "[ . 1 . 2]" 1
949 1 48 SER H 1 48 SER QB . . 3.150 2.528 2.266 2.995 . 0 0 "[ . 1 . 2]" 1
950 1 48 SER H 1 48 SER HG . . 4.330 3.401 2.668 4.333 0.003 18 0 "[ . 1 . 2]" 1
951 1 48 SER H 1 49 SER H . . 4.670 4.525 4.409 4.606 . 0 0 "[ . 1 . 2]" 1
952 1 48 SER H 1 53 TRP HE1 . . 4.350 3.584 3.164 3.898 . 0 0 "[ . 1 . 2]" 1
953 1 48 SER HA 1 49 SER H . . 3.090 2.337 2.199 2.634 . 0 0 "[ . 1 . 2]" 1
954 1 48 SER QB 1 49 SER H . . 2.990 2.625 2.094 2.958 . 0 0 "[ . 1 . 2]" 1
955 1 48 SER QB 1 52 ASP H . . 4.810 4.450 4.141 4.807 . 0 0 "[ . 1 . 2]" 1
956 1 48 SER QB 1 52 ASP QB . . 4.030 2.150 1.989 2.599 . 0 0 "[ . 1 . 2]" 1
957 1 48 SER QB 1 53 TRP HD1 . . 4.540 2.321 1.984 3.125 . 0 0 "[ . 1 . 2]" 1
958 1 48 SER QB 1 53 TRP HE1 . . 3.490 2.233 1.901 3.046 . 0 0 "[ . 1 . 2]" 1
959 1 48 SER HB2 1 53 TRP HD1 . . 5.220 2.821 2.001 4.148 . 0 0 "[ . 1 . 2]" 1
960 1 48 SER HB2 1 53 TRP HE1 . . 4.260 2.403 1.953 3.494 . 0 0 "[ . 1 . 2]" 1
961 1 48 SER HB3 1 53 TRP HD1 . . 5.220 2.714 2.071 4.290 . 0 0 "[ . 1 . 2]" 1
962 1 48 SER HB3 1 53 TRP HE1 . . 4.260 2.951 2.033 4.229 . 0 0 "[ . 1 . 2]" 1
963 1 48 SER HG 1 53 TRP HE1 . . 4.770 4.050 1.928 4.744 . 0 0 "[ . 1 . 2]" 1
964 1 49 SER H 1 49 SER HB2 . . 3.600 2.486 2.198 3.628 0.028 14 0 "[ . 1 . 2]" 1
965 1 49 SER H 1 49 SER HB3 . . 3.600 3.418 2.352 3.610 0.010 10 0 "[ . 1 . 2]" 1
966 1 49 SER H 1 50 LYS H . . 4.780 4.547 4.494 4.603 . 0 0 "[ . 1 . 2]" 1
967 1 49 SER H 1 52 ASP H . . 3.750 3.487 3.077 3.749 . 0 0 "[ . 1 . 2]" 1
968 1 49 SER H 1 52 ASP HB2 . . 4.090 2.354 1.903 2.736 . 0 0 "[ . 1 . 2]" 1
969 1 49 SER H 1 52 ASP QB . . 3.540 1.965 1.744 2.327 . 0 0 "[ . 1 . 2]" 1
970 1 49 SER H 1 52 ASP HB3 . . 4.090 2.126 1.897 2.583 . 0 0 "[ . 1 . 2]" 1
971 1 49 SER H 1 53 TRP HD1 . . 4.810 4.423 4.156 4.739 . 0 0 "[ . 1 . 2]" 1
972 1 49 SER H 1 53 TRP HE1 . . 4.210 3.810 3.415 4.105 . 0 0 "[ . 1 . 2]" 1
973 1 49 SER HA 1 50 LYS H . . 2.870 2.466 2.357 2.613 . 0 0 "[ . 1 . 2]" 1
974 1 49 SER HA 1 50 LYS HB3 . . 5.110 4.922 4.715 5.041 . 0 0 "[ . 1 . 2]" 1
975 1 49 SER HA 1 51 GLU H . . 4.800 4.469 3.951 4.818 0.018 16 0 "[ . 1 . 2]" 1
976 1 49 SER HA 1 53 TRP HE1 . . 5.070 3.847 3.375 4.396 . 0 0 "[ . 1 . 2]" 1
977 1 49 SER HA 1 53 TRP HZ2 . . 5.040 3.791 3.267 4.372 . 0 0 "[ . 1 . 2]" 1
978 1 49 SER QB 1 50 LYS H . . 3.330 2.365 2.014 3.291 . 0 0 "[ . 1 . 2]" 1
979 1 49 SER QB 1 51 GLU H . . 3.400 2.702 2.297 3.113 . 0 0 "[ . 1 . 2]" 1
980 1 49 SER QB 1 52 ASP H . . 3.860 2.735 2.515 3.226 . 0 0 "[ . 1 . 2]" 1
981 1 49 SER HB2 1 50 LYS H . . 3.880 3.555 2.401 3.834 . 0 0 "[ . 1 . 2]" 1
982 1 49 SER HB2 1 51 GLU H . . 4.020 3.598 2.364 4.054 0.034 20 0 "[ . 1 . 2]" 1
983 1 49 SER HB2 1 52 ASP H . . 4.440 3.035 2.593 4.270 . 0 0 "[ . 1 . 2]" 1
984 1 49 SER HB3 1 50 LYS H . . 3.880 2.532 2.026 3.747 . 0 0 "[ . 1 . 2]" 1
985 1 49 SER HB3 1 51 GLU H . . 4.020 2.948 2.311 4.054 0.034 14 0 "[ . 1 . 2]" 1
986 1 49 SER HB3 1 52 ASP H . . 4.440 3.348 2.624 4.357 . 0 0 "[ . 1 . 2]" 1
987 1 50 LYS H 1 50 LYS HB2 . . 3.090 2.589 2.455 2.762 . 0 0 "[ . 1 . 2]" 1
988 1 50 LYS H 1 50 LYS HB3 . . 3.240 2.467 2.313 2.624 . 0 0 "[ . 1 . 2]" 1
989 1 50 LYS H 1 50 LYS HD2 . . 5.380 4.927 4.662 5.193 . 0 0 "[ . 1 . 2]" 1
990 1 50 LYS H 1 50 LYS QD . . 4.660 4.355 4.101 4.460 . 0 0 "[ . 1 . 2]" 1
991 1 50 LYS H 1 50 LYS HD3 . . 5.380 4.889 4.419 5.294 . 0 0 "[ . 1 . 2]" 1
992 1 50 LYS H 1 50 LYS HG2 . . 4.620 4.475 4.316 4.628 0.008 3 0 "[ . 1 . 2]" 1
993 1 50 LYS H 1 50 LYS HG3 . . 4.620 4.432 4.341 4.570 . 0 0 "[ . 1 . 2]" 1
994 1 50 LYS H 1 51 GLU H . . 3.500 2.781 2.582 3.044 . 0 0 "[ . 1 . 2]" 1
995 1 50 LYS H 1 53 TRP HZ2 . . 4.660 4.214 3.778 4.582 . 0 0 "[ . 1 . 2]" 1
996 1 50 LYS HA 1 50 LYS QG . . 3.620 2.553 2.384 2.871 . 0 0 "[ . 1 . 2]" 1
997 1 50 LYS HA 1 52 ASP H . . 4.610 4.227 3.965 4.509 . 0 0 "[ . 1 . 2]" 1
998 1 50 LYS HA 1 53 TRP H . . 3.970 3.777 3.618 3.880 . 0 0 "[ . 1 . 2]" 1
999 1 50 LYS HA 1 53 TRP HE1 . . 5.030 4.298 3.993 4.609 . 0 0 "[ . 1 . 2]" 1
1000 1 50 LYS HA 1 53 TRP HE3 . . 4.430 3.030 2.851 3.393 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LYS HA 1 53 TRP HH2 . . 4.970 3.514 3.078 3.741 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LYS HA 1 53 TRP HZ2 . . 4.860 3.659 3.144 3.978 . 0 0 "[ . 1 . 2]" 1
1003 1 50 LYS HA 1 53 TRP HZ3 . . 4.970 3.207 3.070 3.485 . 0 0 "[ . 1 . 2]" 1
1004 1 50 LYS HB2 1 50 LYS HD2 . . 3.750 2.567 2.097 3.486 . 0 0 "[ . 1 . 2]" 1
1005 1 50 LYS HB2 1 50 LYS QD . . 3.150 2.215 2.065 3.219 0.069 16 0 "[ . 1 . 2]" 1
1006 1 50 LYS HB2 1 50 LYS HD3 . . 3.750 2.665 2.127 3.783 0.033 16 0 "[ . 1 . 2]" 1
1007 1 50 LYS HB2 1 51 GLU H . . 4.250 3.945 3.657 4.288 0.038 9 0 "[ . 1 . 2]" 1
1008 1 50 LYS HB2 1 53 TRP HE3 . . 5.260 4.742 4.406 5.115 . 0 0 "[ . 1 . 2]" 1
1009 1 50 LYS HB2 1 53 TRP HH2 . . 4.860 3.577 2.931 3.850 . 0 0 "[ . 1 . 2]" 1
1010 1 50 LYS HB2 1 53 TRP HZ3 . . 4.940 3.694 3.283 4.119 . 0 0 "[ . 1 . 2]" 1
1011 1 50 LYS HB3 1 51 GLU H . . 3.600 2.643 2.194 3.209 . 0 0 "[ . 1 . 2]" 1
1012 1 50 LYS HB3 1 53 TRP HH2 . . 5.500 5.241 4.649 5.493 . 0 0 "[ . 1 . 2]" 1
1013 1 50 LYS QD 1 53 TRP HH2 . . 5.340 3.915 3.265 5.351 0.011 16 0 "[ . 1 . 2]" 1
1014 1 50 LYS QE 1 50 LYS QG . . 3.020 2.213 2.059 2.330 . 0 0 "[ . 1 . 2]" 1
1015 1 50 LYS QE 1 53 TRP HZ3 . . 4.810 3.528 3.066 4.433 . 0 0 "[ . 1 . 2]" 1
1016 1 50 LYS QE 1 114 TRP HD1 . . 4.580 3.941 3.059 4.558 . 0 0 "[ . 1 . 2]" 1
1017 1 50 LYS QE 1 114 TRP HE1 . . 3.790 3.166 2.626 3.675 . 0 0 "[ . 1 . 2]" 1
1018 1 50 LYS QE 1 114 TRP HZ2 . . 4.390 3.417 2.632 4.380 . 0 0 "[ . 1 . 2]" 1
1019 1 50 LYS HE2 1 50 LYS HG2 . . 4.020 2.942 2.189 3.633 . 0 0 "[ . 1 . 2]" 1
1020 1 50 LYS HE2 1 50 LYS HG3 . . 4.020 2.896 2.264 3.917 . 0 0 "[ . 1 . 2]" 1
1021 1 50 LYS HE2 1 114 TRP HE1 . . 4.390 3.795 2.694 4.388 . 0 0 "[ . 1 . 2]" 1
1022 1 50 LYS HE3 1 50 LYS HG2 . . 4.020 3.278 2.253 3.917 . 0 0 "[ . 1 . 2]" 1
1023 1 50 LYS HE3 1 50 LYS HG3 . . 4.020 3.237 2.318 3.757 . 0 0 "[ . 1 . 2]" 1
1024 1 50 LYS HE3 1 114 TRP HE1 . . 4.390 3.590 2.671 4.324 . 0 0 "[ . 1 . 2]" 1
1025 1 50 LYS QG 1 51 GLU H . . 3.940 3.522 3.318 3.829 . 0 0 "[ . 1 . 2]" 1
1026 1 50 LYS QG 1 53 TRP HE3 . . 4.310 3.293 2.938 4.024 . 0 0 "[ . 1 . 2]" 1
1027 1 50 LYS QG 1 53 TRP HZ3 . . 4.390 3.238 2.354 4.167 . 0 0 "[ . 1 . 2]" 1
1028 1 50 LYS HG2 1 51 GLU H . . 4.480 3.891 3.473 4.363 . 0 0 "[ . 1 . 2]" 1
1029 1 50 LYS HG3 1 51 GLU H . . 4.480 4.185 3.513 4.500 0.020 16 0 "[ . 1 . 2]" 1
1030 1 51 GLU H 1 51 GLU HB2 . . 3.760 3.293 2.446 3.665 . 0 0 "[ . 1 . 2]" 1
1031 1 51 GLU H 1 51 GLU QB . . 3.000 2.547 2.407 2.741 . 0 0 "[ . 1 . 2]" 1
1032 1 51 GLU H 1 51 GLU HB3 . . 3.760 2.924 2.550 3.608 . 0 0 "[ . 1 . 2]" 1
1033 1 51 GLU H 1 51 GLU HG2 . . 3.760 2.305 1.937 3.020 . 0 0 "[ . 1 . 2]" 1
1034 1 51 GLU H 1 51 GLU QG . . 3.290 2.136 1.922 2.321 . 0 0 "[ . 1 . 2]" 1
1035 1 51 GLU H 1 51 GLU HG3 . . 3.760 3.030 2.248 3.548 . 0 0 "[ . 1 . 2]" 1
1036 1 51 GLU H 1 52 ASP H . . 3.130 2.453 2.188 2.572 . 0 0 "[ . 1 . 2]" 1
1037 1 51 GLU H 1 52 ASP HA . . 5.350 5.062 4.822 5.179 . 0 0 "[ . 1 . 2]" 1
1038 1 51 GLU H 1 52 ASP HB2 . . 4.960 4.705 4.477 4.955 . 0 0 "[ . 1 . 2]" 1
1039 1 51 GLU H 1 52 ASP HB3 . . 4.960 4.765 4.268 4.928 . 0 0 "[ . 1 . 2]" 1
1040 1 51 GLU H 1 53 TRP H . . 4.170 4.086 3.872 4.193 0.023 16 0 "[ . 1 . 2]" 1
1041 1 51 GLU HA 1 51 GLU HG2 . . 3.830 3.411 2.437 3.833 0.003 13 0 "[ . 1 . 2]" 1
1042 1 51 GLU HA 1 51 GLU HG3 . . 3.830 3.672 3.420 3.808 . 0 0 "[ . 1 . 2]" 1
1043 1 51 GLU HA 1 53 TRP H . . 4.230 3.883 3.721 4.072 . 0 0 "[ . 1 . 2]" 1
1044 1 51 GLU QB 1 52 ASP H . . 3.720 3.346 2.620 3.668 . 0 0 "[ . 1 . 2]" 1
1045 1 51 GLU HB2 1 52 ASP H . . 4.280 3.651 2.677 4.093 . 0 0 "[ . 1 . 2]" 1
1046 1 51 GLU HB3 1 52 ASP H . . 4.280 4.010 3.697 4.158 . 0 0 "[ . 1 . 2]" 1
1047 1 51 GLU QG 1 52 ASP H . . 4.090 2.876 2.096 4.084 . 0 0 "[ . 1 . 2]" 1
1048 1 51 GLU HG2 1 52 ASP H . . 4.810 3.382 2.333 4.814 0.004 3 0 "[ . 1 . 2]" 1
1049 1 51 GLU HG3 1 52 ASP H . . 4.810 3.177 2.138 4.810 0.000 17 0 "[ . 1 . 2]" 1
1050 1 52 ASP H 1 52 ASP HB2 . . 3.500 2.517 2.396 2.769 . 0 0 "[ . 1 . 2]" 1
1051 1 52 ASP H 1 52 ASP QB . . 3.040 2.253 2.217 2.274 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASP H 1 52 ASP HB3 . . 3.500 2.564 2.333 2.674 . 0 0 "[ . 1 . 2]" 1
1053 1 52 ASP H 1 53 TRP H . . 2.880 2.588 2.445 2.759 . 0 0 "[ . 1 . 2]" 1
1054 1 52 ASP H 1 53 TRP HB2 . . 5.500 5.102 4.874 5.269 . 0 0 "[ . 1 . 2]" 1
1055 1 52 ASP QB 1 53 TRP H . . 3.610 2.871 2.677 3.021 . 0 0 "[ . 1 . 2]" 1
1056 1 52 ASP QB 1 53 TRP HD1 . . 4.420 2.975 2.652 3.269 . 0 0 "[ . 1 . 2]" 1
1057 1 52 ASP QB 1 53 TRP HE1 . . 4.620 3.643 3.301 3.949 . 0 0 "[ . 1 . 2]" 1
1058 1 53 TRP H 1 53 TRP HB2 . . 3.570 2.714 2.598 2.815 . 0 0 "[ . 1 . 2]" 1
1059 1 53 TRP H 1 53 TRP HB3 . . 3.600 3.594 3.554 3.618 0.018 8 0 "[ . 1 . 2]" 1
1060 1 53 TRP H 1 53 TRP HE1 . . 4.820 4.370 4.069 4.637 . 0 0 "[ . 1 . 2]" 1
1061 1 53 TRP H 1 54 PRO QD . . 4.620 4.157 4.092 4.300 . 0 0 "[ . 1 . 2]" 1
1062 1 53 TRP HA 1 53 TRP HD1 . . 3.780 2.487 2.356 2.571 . 0 0 "[ . 1 . 2]" 1
1063 1 53 TRP HA 1 53 TRP HE1 . . 5.230 4.986 4.863 5.067 . 0 0 "[ . 1 . 2]" 1
1064 1 53 TRP HA 1 54 PRO HD2 . . 3.720 1.969 1.936 2.107 . 0 0 "[ . 1 . 2]" 1
1065 1 53 TRP HA 1 54 PRO HD3 . . 3.720 2.345 2.261 2.385 . 0 0 "[ . 1 . 2]" 1
1066 1 53 TRP HA 1 54 PRO HG2 . . 4.720 4.168 4.142 4.279 . 0 0 "[ . 1 . 2]" 1
1067 1 53 TRP HA 1 54 PRO QG . . 4.040 3.778 3.768 3.837 . 0 0 "[ . 1 . 2]" 1
1068 1 53 TRP HA 1 54 PRO HG3 . . 4.720 4.324 4.317 4.336 . 0 0 "[ . 1 . 2]" 1
1069 1 53 TRP HB3 1 53 TRP HE1 . . 5.250 5.028 5.003 5.055 . 0 0 "[ . 1 . 2]" 1
1070 1 53 TRP HD1 1 54 PRO HD2 . . 4.570 4.092 3.851 4.264 . 0 0 "[ . 1 . 2]" 1
1071 1 53 TRP HD1 1 54 PRO QD . . 3.950 3.770 3.577 3.902 . 0 0 "[ . 1 . 2]" 1
1072 1 53 TRP HD1 1 54 PRO HD3 . . 4.570 4.414 4.245 4.522 . 0 0 "[ . 1 . 2]" 1
1073 1 53 TRP HE3 1 114 TRP HB3 . . 5.070 3.426 3.010 3.856 . 0 0 "[ . 1 . 2]" 1
1074 1 53 TRP HZ3 1 114 TRP HB2 . . 4.720 3.048 2.350 3.585 . 0 0 "[ . 1 . 2]" 1
1075 1 53 TRP HZ3 1 114 TRP HB3 . . 5.160 4.068 3.399 4.620 . 0 0 "[ . 1 . 2]" 1
1076 1 53 TRP HZ3 1 114 TRP HE3 . . 4.430 2.788 2.154 3.269 . 0 0 "[ . 1 . 2]" 1
1077 1 54 PRO HA 1 55 SER H . . 2.890 2.227 2.157 2.415 . 0 0 "[ . 1 . 2]" 1
1078 1 54 PRO HB2 1 55 SER H . . 3.710 3.185 2.576 3.501 . 0 0 "[ . 1 . 2]" 1
1079 1 54 PRO HB2 1 56 VAL MG1 . . 3.760 3.033 2.943 3.159 . 0 0 "[ . 1 . 2]" 1
1080 1 54 PRO HB3 1 55 SER H . . 3.990 3.783 3.434 3.979 . 0 0 "[ . 1 . 2]" 1
1081 1 54 PRO HB3 1 56 VAL MG1 . . 4.650 4.489 4.385 4.626 . 0 0 "[ . 1 . 2]" 1
1082 1 54 PRO QG 1 55 SER H . . 4.760 4.492 4.141 4.647 . 0 0 "[ . 1 . 2]" 1
1083 1 54 PRO QG 1 56 VAL MG1 . . 3.670 2.986 2.801 3.107 . 0 0 "[ . 1 . 2]" 1
1084 1 54 PRO QG 1 77 LEU QD . . 4.430 3.841 3.620 4.105 . 0 0 "[ . 1 . 2]" 1
1085 1 54 PRO HG2 1 56 VAL MG1 . . 4.360 3.051 2.852 3.185 . 0 0 "[ . 1 . 2]" 1
1086 1 54 PRO HG3 1 56 VAL MG1 . . 4.360 4.244 4.086 4.352 . 0 0 "[ . 1 . 2]" 1
1087 1 55 SER H 1 55 SER QB . . 3.010 2.459 2.181 2.942 . 0 0 "[ . 1 . 2]" 1
1088 1 55 SER H 1 56 VAL H . . 4.600 4.479 4.242 4.550 . 0 0 "[ . 1 . 2]" 1
1089 1 55 SER HA 1 56 VAL H . . 3.060 2.145 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
1090 1 55 SER HA 1 56 VAL MG2 . . 4.230 3.848 3.723 3.987 . 0 0 "[ . 1 . 2]" 1
1091 1 55 SER QB 1 56 VAL H . . 3.580 3.284 3.169 3.550 . 0 0 "[ . 1 . 2]" 1
1092 1 55 SER QB 1 70 GLU QB . . 4.270 3.433 2.739 4.278 0.008 20 0 "[ . 1 . 2]" 1
1093 1 55 SER QB 1 70 GLU QG . . 4.000 3.618 2.614 3.994 . 0 0 "[ . 1 . 2]" 1
1094 1 56 VAL H 1 56 VAL MG1 . . 3.620 2.869 2.699 2.991 . 0 0 "[ . 1 . 2]" 1
1095 1 56 VAL H 1 56 VAL MG2 . . 3.330 2.258 1.983 2.438 . 0 0 "[ . 1 . 2]" 1
1096 1 56 VAL H 1 57 ASN H . . 4.730 4.439 4.382 4.493 . 0 0 "[ . 1 . 2]" 1
1097 1 56 VAL HA 1 56 VAL MG1 . . 3.420 2.398 2.290 2.497 . 0 0 "[ . 1 . 2]" 1
1098 1 56 VAL HA 1 57 ASN H . . 3.410 2.443 2.275 2.645 . 0 0 "[ . 1 . 2]" 1
1099 1 56 VAL HA 1 69 SER HA . . 4.260 3.107 2.776 3.581 . 0 0 "[ . 1 . 2]" 1
1100 1 56 VAL HA 1 70 GLU H . . 3.540 2.594 1.910 3.256 . 0 0 "[ . 1 . 2]" 1
1101 1 56 VAL HA 1 70 GLU HB2 . . 4.570 2.626 2.159 3.078 . 0 0 "[ . 1 . 2]" 1
1102 1 56 VAL HA 1 70 GLU HB3 . . 4.570 4.039 3.486 4.575 0.005 5 0 "[ . 1 . 2]" 1
1103 1 56 VAL HA 1 70 GLU HG2 . . 5.500 4.854 3.616 5.442 . 0 0 "[ . 1 . 2]" 1
1104 1 56 VAL HA 1 70 GLU QG . . 4.810 3.945 2.118 4.607 . 0 0 "[ . 1 . 2]" 1
1105 1 56 VAL HA 1 70 GLU HG3 . . 5.500 4.259 2.133 5.327 . 0 0 "[ . 1 . 2]" 1
1106 1 56 VAL HB 1 57 ASN H . . 3.460 2.336 1.995 2.725 . 0 0 "[ . 1 . 2]" 1
1107 1 56 VAL HB 1 67 VAL MG1 . . 3.530 3.032 2.606 3.440 . 0 0 "[ . 1 . 2]" 1
1108 1 56 VAL HB 1 68 ILE H . . 4.700 4.342 3.518 4.701 0.001 10 0 "[ . 1 . 2]" 1
1109 1 56 VAL MG1 1 57 ASN H . . 3.960 3.717 3.559 3.861 . 0 0 "[ . 1 . 2]" 1
1110 1 56 VAL MG1 1 69 SER HA . . 3.650 2.353 1.972 2.728 . 0 0 "[ . 1 . 2]" 1
1111 1 56 VAL MG1 1 69 SER HB3 . . 5.200 4.617 4.201 5.196 . 0 0 "[ . 1 . 2]" 1
1112 1 56 VAL MG1 1 70 GLU H . . 3.660 3.009 2.717 3.537 . 0 0 "[ . 1 . 2]" 1
1113 1 56 VAL MG2 1 57 ASN H . . 3.650 3.241 2.660 3.598 . 0 0 "[ . 1 . 2]" 1
1114 1 56 VAL MG2 1 113 PHE QD . . 4.310 3.005 2.692 3.216 . 0 0 "[ . 1 . 2]" 1
1115 1 56 VAL MG2 1 113 PHE QE . . 4.210 3.264 2.719 3.630 . 0 0 "[ . 1 . 2]" 1
1116 1 57 ASN H 1 57 ASN HB2 . . 3.790 2.773 2.616 2.950 . 0 0 "[ . 1 . 2]" 1
1117 1 57 ASN H 1 57 ASN HB3 . . 3.980 3.723 3.667 3.825 . 0 0 "[ . 1 . 2]" 1
1118 1 57 ASN H 1 57 ASN HD21 . . 4.570 3.730 3.172 4.036 . 0 0 "[ . 1 . 2]" 1
1119 1 57 ASN H 1 57 ASN QD . . 3.920 3.449 3.009 3.689 . 0 0 "[ . 1 . 2]" 1
1120 1 57 ASN H 1 57 ASN HD22 . . 4.570 4.070 3.713 4.328 . 0 0 "[ . 1 . 2]" 1
1121 1 57 ASN H 1 58 MET H . . 4.430 4.378 4.292 4.451 0.021 20 0 "[ . 1 . 2]" 1
1122 1 57 ASN H 1 69 SER HA . . 4.630 3.417 3.092 4.149 . 0 0 "[ . 1 . 2]" 1
1123 1 57 ASN H 1 70 GLU H . . 4.180 3.884 2.989 4.187 0.007 5 0 "[ . 1 . 2]" 1
1124 1 57 ASN HA 1 58 MET H . . 3.190 2.145 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
1125 1 57 ASN HB2 1 57 ASN QD . . 3.250 2.162 2.095 2.247 . 0 0 "[ . 1 . 2]" 1
1126 1 57 ASN HB2 1 57 ASN HD22 . . 3.780 3.460 3.434 3.496 . 0 0 "[ . 1 . 2]" 1
1127 1 57 ASN HB2 1 58 MET H . . 4.250 4.086 3.970 4.224 . 0 0 "[ . 1 . 2]" 1
1128 1 57 ASN HB2 1 59 ASN HD22 . . 4.530 2.677 2.416 3.150 . 0 0 "[ . 1 . 2]" 1
1129 1 57 ASN HB2 1 68 ILE H . . 4.770 3.821 3.570 4.093 . 0 0 "[ . 1 . 2]" 1
1130 1 57 ASN HB2 1 68 ILE HB . . 4.130 2.889 2.525 3.235 . 0 0 "[ . 1 . 2]" 1
1131 1 57 ASN HB2 1 68 ILE MD . . 4.240 4.077 3.645 4.238 . 0 0 "[ . 1 . 2]" 1
1132 1 57 ASN HB3 1 57 ASN QD . . 3.430 2.910 2.769 3.100 . 0 0 "[ . 1 . 2]" 1
1133 1 57 ASN HB3 1 57 ASN HD22 . . 3.960 3.826 3.748 3.938 . 0 0 "[ . 1 . 2]" 1
1134 1 57 ASN HB3 1 58 MET H . . 4.080 3.462 3.268 3.583 . 0 0 "[ . 1 . 2]" 1
1135 1 57 ASN HB3 1 59 ASN HD22 . . 4.690 3.801 3.354 4.483 . 0 0 "[ . 1 . 2]" 1
1136 1 57 ASN HB3 1 68 ILE HB . . 4.980 4.551 4.140 4.977 . 0 0 "[ . 1 . 2]" 1
1137 1 57 ASN QD 1 68 ILE MD . . 4.310 4.175 3.945 4.323 0.013 20 0 "[ . 1 . 2]" 1
1138 1 57 ASN QD 1 68 ILE MG . . 4.100 3.172 2.896 3.653 . 0 0 "[ . 1 . 2]" 1
1139 1 57 ASN QD 1 70 GLU QG . . 3.680 2.980 1.934 3.544 . 0 0 "[ . 1 . 2]" 1
1140 1 57 ASN HD21 1 68 ILE MG . . 4.780 3.283 2.975 3.840 . 0 0 "[ . 1 . 2]" 1
1141 1 57 ASN HD21 1 70 GLU HA . . 3.960 3.334 2.901 3.857 . 0 0 "[ . 1 . 2]" 1
1142 1 57 ASN HD22 1 68 ILE MG . . 4.780 4.215 3.843 4.575 . 0 0 "[ . 1 . 2]" 1
1143 1 57 ASN HD22 1 70 GLU HA . . 3.960 2.111 1.910 2.638 . 0 0 "[ . 1 . 2]" 1
1144 1 58 MET H 1 58 MET HB2 . . 3.930 2.786 2.526 2.921 . 0 0 "[ . 1 . 2]" 1
1145 1 58 MET H 1 58 MET QB . . 3.420 2.289 2.253 2.348 . 0 0 "[ . 1 . 2]" 1
1146 1 58 MET H 1 58 MET HB3 . . 3.930 2.445 2.362 2.667 . 0 0 "[ . 1 . 2]" 1
1147 1 58 MET H 1 58 MET ME . . 4.630 4.463 4.042 4.626 . 0 0 "[ . 1 . 2]" 1
1148 1 58 MET H 1 58 MET HG2 . . 5.030 4.431 4.286 4.653 . 0 0 "[ . 1 . 2]" 1
1149 1 58 MET H 1 58 MET HG3 . . 5.380 4.491 4.308 4.586 . 0 0 "[ . 1 . 2]" 1
1150 1 58 MET H 1 59 ASN H . . 4.430 4.272 4.140 4.402 . 0 0 "[ . 1 . 2]" 1
1151 1 58 MET HA 1 58 MET ME . . 4.040 3.598 3.207 3.821 . 0 0 "[ . 1 . 2]" 1
1152 1 58 MET HA 1 58 MET HG3 . . 4.220 2.608 2.284 2.889 . 0 0 "[ . 1 . 2]" 1
1153 1 58 MET HA 1 59 ASN H . . 3.240 2.171 2.142 2.201 . 0 0 "[ . 1 . 2]" 1
1154 1 58 MET HA 1 59 ASN HD21 . . 4.980 3.404 3.121 3.681 . 0 0 "[ . 1 . 2]" 1
1155 1 58 MET QB 1 60 VAL QG . . 4.490 3.609 3.079 3.938 . 0 0 "[ . 1 . 2]" 1
1156 1 58 MET HB2 1 58 MET ME . . 3.340 2.072 1.980 2.261 . 0 0 "[ . 1 . 2]" 1
1157 1 58 MET HB2 1 59 ASN H . . 4.700 4.422 4.327 4.573 . 0 0 "[ . 1 . 2]" 1
1158 1 58 MET HB3 1 58 MET ME . . 3.340 3.218 3.079 3.342 0.002 3 0 "[ . 1 . 2]" 1
1159 1 58 MET HB3 1 59 ASN H . . 4.700 4.426 4.289 4.506 . 0 0 "[ . 1 . 2]" 1
1160 1 58 MET ME 1 58 MET HG2 . . 3.830 3.125 2.355 3.399 . 0 0 "[ . 1 . 2]" 1
1161 1 58 MET ME 1 97 PHE QD . . 3.110 2.606 2.259 2.859 . 0 0 "[ . 1 . 2]" 1
1162 1 58 MET ME 1 97 PHE QE . . 3.300 2.767 2.157 3.175 . 0 0 "[ . 1 . 2]" 1
1163 1 58 MET ME 1 99 PHE QE . . 3.230 3.031 2.404 3.227 . 0 0 "[ . 1 . 2]" 1
1164 1 58 MET ME 1 113 PHE H . . 4.510 4.417 4.268 4.512 0.002 7 0 "[ . 1 . 2]" 1
1165 1 58 MET ME 1 113 PHE HA . . 4.430 4.331 4.194 4.432 0.002 10 0 "[ . 1 . 2]" 1
1166 1 58 MET ME 1 113 PHE HB2 . . 3.970 2.213 1.980 2.490 . 0 0 "[ . 1 . 2]" 1
1167 1 58 MET ME 1 113 PHE HB3 . . 3.970 2.555 2.426 2.762 . 0 0 "[ . 1 . 2]" 1
1168 1 58 MET ME 1 113 PHE QD . . 3.470 2.438 2.322 2.626 . 0 0 "[ . 1 . 2]" 1
1169 1 58 MET ME 1 113 PHE QE . . 4.280 3.206 3.074 3.458 . 0 0 "[ . 1 . 2]" 1
1170 1 58 MET ME 1 113 PHE HZ . . 4.400 4.052 3.742 4.335 . 0 0 "[ . 1 . 2]" 1
1171 1 58 MET ME 1 122 VAL MG1 . . 3.290 3.080 2.640 3.288 . 0 0 "[ . 1 . 2]" 1
1172 1 58 MET ME 1 122 VAL MG2 . . 4.170 4.001 3.580 4.166 . 0 0 "[ . 1 . 2]" 1
1173 1 58 MET HG2 1 59 ASN H . . 4.910 4.138 3.796 4.892 . 0 0 "[ . 1 . 2]" 1
1174 1 58 MET HG2 1 59 ASN HA . . 5.500 4.720 4.227 5.523 0.023 18 0 "[ . 1 . 2]" 1
1175 1 58 MET HG2 1 122 VAL MG1 . . 4.530 3.560 2.580 4.378 . 0 0 "[ . 1 . 2]" 1
1176 1 58 MET HG3 1 59 ASN H . . 3.800 3.506 2.994 3.797 . 0 0 "[ . 1 . 2]" 1
1177 1 58 MET HG3 1 59 ASN HA . . 5.500 4.938 4.011 5.502 0.002 3 0 "[ . 1 . 2]" 1
1178 1 58 MET HG3 1 65 VAL MG1 . . 3.870 2.904 2.514 3.214 . 0 0 "[ . 1 . 2]" 1
1179 1 58 MET HG3 1 66 THR H . . 5.500 5.342 4.962 5.498 . 0 0 "[ . 1 . 2]" 1
1180 1 59 ASN H 1 59 ASN HB2 . . 3.870 2.495 2.391 2.635 . 0 0 "[ . 1 . 2]" 1
1181 1 59 ASN H 1 59 ASN QB . . 3.360 2.454 2.359 2.583 . 0 0 "[ . 1 . 2]" 1
1182 1 59 ASN H 1 59 ASN HB3 . . 3.870 3.642 3.603 3.714 . 0 0 "[ . 1 . 2]" 1
1183 1 59 ASN H 1 59 ASN HD21 . . 4.270 1.927 1.798 2.195 . 0 0 "[ . 1 . 2]" 1
1184 1 59 ASN H 1 59 ASN HD22 . . 4.570 3.439 3.192 3.676 . 0 0 "[ . 1 . 2]" 1
1185 1 59 ASN H 1 60 VAL H . . 4.540 4.334 4.169 4.474 . 0 0 "[ . 1 . 2]" 1
1186 1 59 ASN H 1 60 VAL QG . . 4.600 4.216 4.068 4.348 . 0 0 "[ . 1 . 2]" 1
1187 1 59 ASN H 1 65 VAL MG1 . . 4.660 4.209 3.715 4.647 . 0 0 "[ . 1 . 2]" 1
1188 1 59 ASN H 1 66 THR H . . 4.350 4.120 3.755 4.327 . 0 0 "[ . 1 . 2]" 1
1189 1 59 ASN H 1 66 THR HB . . 4.520 4.304 4.088 4.453 . 0 0 "[ . 1 . 2]" 1
1190 1 59 ASN H 1 66 THR MG . . 5.150 4.744 4.451 5.015 . 0 0 "[ . 1 . 2]" 1
1191 1 59 ASN H 1 67 VAL MG1 . . 5.490 4.633 4.395 5.002 . 0 0 "[ . 1 . 2]" 1
1192 1 59 ASN H 1 67 VAL MG2 . . 4.840 3.934 3.631 4.240 . 0 0 "[ . 1 . 2]" 1
1193 1 59 ASN H 1 68 ILE H . . 4.460 3.294 3.059 3.872 . 0 0 "[ . 1 . 2]" 1
1194 1 59 ASN HA 1 59 ASN HD21 . . 4.920 3.621 3.290 3.895 . 0 0 "[ . 1 . 2]" 1
1195 1 59 ASN HA 1 60 VAL H . . 3.160 2.158 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
1196 1 59 ASN HA 1 60 VAL HB . . 4.810 4.660 4.572 4.741 . 0 0 "[ . 1 . 2]" 1
1197 1 59 ASN HA 1 60 VAL QG . . 4.150 3.771 3.568 3.948 . 0 0 "[ . 1 . 2]" 1
1198 1 59 ASN QB 1 61 ALA MB . . 5.190 4.309 3.978 4.519 . 0 0 "[ . 1 . 2]" 1
1199 1 59 ASN QB 1 66 THR H . . 3.880 3.018 2.433 3.305 . 0 0 "[ . 1 . 2]" 1
1200 1 59 ASN QB 1 68 ILE HB . . 5.340 4.645 4.356 5.020 . 0 0 "[ . 1 . 2]" 1
1201 1 59 ASN HB2 1 60 VAL H . . 4.410 4.354 4.164 4.455 0.045 14 0 "[ . 1 . 2]" 1
1202 1 59 ASN HB2 1 66 THR H . . 4.560 3.121 2.486 3.422 . 0 0 "[ . 1 . 2]" 1
1203 1 59 ASN HB2 1 66 THR HB . . 3.920 2.454 2.064 2.645 . 0 0 "[ . 1 . 2]" 1
1204 1 59 ASN HB2 1 68 ILE MD . . 4.160 3.244 2.857 3.868 . 0 0 "[ . 1 . 2]" 1
1205 1 59 ASN HB3 1 60 VAL H . . 4.410 3.640 3.299 3.956 . 0 0 "[ . 1 . 2]" 1
1206 1 59 ASN HB3 1 66 THR H . . 4.560 4.027 3.460 4.362 . 0 0 "[ . 1 . 2]" 1
1207 1 59 ASN HB3 1 66 THR HB . . 3.920 3.660 3.036 3.923 0.003 12 0 "[ . 1 . 2]" 1
1208 1 59 ASN HB3 1 68 ILE MD . . 4.160 3.588 3.210 4.011 . 0 0 "[ . 1 . 2]" 1
1209 1 59 ASN HD21 1 66 THR H . . 5.190 4.979 4.189 5.195 0.005 5 0 "[ . 1 . 2]" 1
1210 1 59 ASN HD21 1 66 THR HB . . 4.740 4.027 3.349 4.343 . 0 0 "[ . 1 . 2]" 1
1211 1 59 ASN HD21 1 66 THR MG . . 4.700 4.187 3.402 4.537 . 0 0 "[ . 1 . 2]" 1
1212 1 59 ASN HD21 1 68 ILE H . . 4.930 2.320 2.103 2.728 . 0 0 "[ . 1 . 2]" 1
1213 1 59 ASN HD21 1 68 ILE HB . . 4.720 2.961 2.635 3.598 . 0 0 "[ . 1 . 2]" 1
1214 1 59 ASN HD21 1 68 ILE MD . . 3.730 2.970 2.610 3.414 . 0 0 "[ . 1 . 2]" 1
1215 1 59 ASN HD21 1 68 ILE HG12 . . 4.500 4.233 3.900 4.491 . 0 0 "[ . 1 . 2]" 1
1216 1 59 ASN HD21 1 68 ILE QG . . 3.900 2.546 2.145 2.876 . 0 0 "[ . 1 . 2]" 1
1217 1 59 ASN HD21 1 68 ILE HG13 . . 4.500 2.567 2.155 2.910 . 0 0 "[ . 1 . 2]" 1
1218 1 59 ASN HD22 1 68 ILE H . . 4.990 2.967 2.522 3.409 . 0 0 "[ . 1 . 2]" 1
1219 1 59 ASN HD22 1 68 ILE HB . . 4.640 1.981 1.896 2.180 . 0 0 "[ . 1 . 2]" 1
1220 1 59 ASN HD22 1 68 ILE MD . . 3.750 2.200 1.888 2.436 . 0 0 "[ . 1 . 2]" 1
1221 1 59 ASN HD22 1 68 ILE HG12 . . 4.430 4.044 3.493 4.420 . 0 0 "[ . 1 . 2]" 1
1222 1 59 ASN HD22 1 68 ILE QG . . 3.880 2.785 2.083 3.319 . 0 0 "[ . 1 . 2]" 1
1223 1 59 ASN HD22 1 68 ILE HG13 . . 4.430 2.842 2.099 3.431 . 0 0 "[ . 1 . 2]" 1
1224 1 60 VAL H 1 60 VAL HB . . 3.600 2.586 2.513 2.696 . 0 0 "[ . 1 . 2]" 1
1225 1 60 VAL H 1 60 VAL QG . . 3.460 2.644 2.415 2.862 . 0 0 "[ . 1 . 2]" 1
1226 1 60 VAL H 1 61 ALA H . . 4.380 4.075 3.920 4.186 . 0 0 "[ . 1 . 2]" 1
1227 1 60 VAL H 1 61 ALA MB . . 5.500 5.048 4.723 5.270 . 0 0 "[ . 1 . 2]" 1
1228 1 60 VAL H 1 66 THR H . . 5.440 4.912 4.721 5.162 . 0 0 "[ . 1 . 2]" 1
1229 1 60 VAL H 1 125 ALA MB . . 5.500 5.245 4.798 5.445 . 0 0 "[ . 1 . 2]" 1
1230 1 60 VAL HA 1 60 VAL MG1 . . 3.610 2.367 2.307 2.460 . 0 0 "[ . 1 . 2]" 1
1231 1 60 VAL HA 1 60 VAL QG . . 3.130 2.087 2.040 2.131 . 0 0 "[ . 1 . 2]" 1
1232 1 60 VAL HA 1 60 VAL MG2 . . 3.610 2.326 2.243 2.451 . 0 0 "[ . 1 . 2]" 1
1233 1 60 VAL HA 1 61 ALA H . . 2.980 2.193 2.176 2.201 . 0 0 "[ . 1 . 2]" 1
1234 1 60 VAL HA 1 61 ALA MB . . 4.130 4.053 3.997 4.115 . 0 0 "[ . 1 . 2]" 1
1235 1 60 VAL HA 1 64 THR H . . 5.500 4.879 4.446 5.223 . 0 0 "[ . 1 . 2]" 1
1236 1 60 VAL HA 1 65 VAL MG1 . . 4.270 3.130 2.804 3.500 . 0 0 "[ . 1 . 2]" 1
1237 1 60 VAL HA 1 65 VAL MG2 . . 4.440 2.650 2.343 2.935 . 0 0 "[ . 1 . 2]" 1
1238 1 60 VAL HA 1 66 THR H . . 4.220 3.401 3.137 3.852 . 0 0 "[ . 1 . 2]" 1
1239 1 60 VAL HB 1 61 ALA H . . 4.450 4.433 4.399 4.454 0.004 12 0 "[ . 1 . 2]" 1
1240 1 60 VAL HB 1 125 ALA MB . . 4.420 3.175 2.691 3.461 . 0 0 "[ . 1 . 2]" 1
1241 1 60 VAL QG 1 61 ALA H . . 3.430 3.069 2.935 3.190 . 0 0 "[ . 1 . 2]" 1
1242 1 60 VAL QG 1 64 THR H . . 4.600 3.877 3.299 4.425 . 0 0 "[ . 1 . 2]" 1
1243 1 60 VAL QG 1 66 THR H . . 4.810 4.111 3.872 4.502 . 0 0 "[ . 1 . 2]" 1
1244 1 60 VAL QG 1 125 ALA HA . . 5.160 4.158 3.554 4.371 . 0 0 "[ . 1 . 2]" 1
1245 1 60 VAL QG 1 125 ALA MB . . 2.890 2.318 1.748 2.610 . 0 0 "[ . 1 . 2]" 1
1246 1 60 VAL QG 1 126 VAL HA . . 3.260 2.667 1.916 3.056 . 0 0 "[ . 1 . 2]" 1
1247 1 60 VAL QG 1 129 ALA H . . 5.440 4.536 4.192 4.792 . 0 0 "[ . 1 . 2]" 1
1248 1 60 VAL QG 1 129 ALA HA . . 5.280 4.911 4.645 5.100 . 0 0 "[ . 1 . 2]" 1
1249 1 60 VAL QG 1 129 ALA MB . . 3.030 2.904 2.550 3.035 0.005 20 0 "[ . 1 . 2]" 1
1250 1 60 VAL MG1 1 61 ALA H . . 4.240 3.156 2.996 3.305 . 0 0 "[ . 1 . 2]" 1
1251 1 60 VAL MG1 1 125 ALA MB . . 3.400 2.416 1.778 2.724 . 0 0 "[ . 1 . 2]" 1
1252 1 60 VAL MG1 1 126 VAL HA . . 4.560 2.706 1.922 3.175 . 0 0 "[ . 1 . 2]" 1
1253 1 60 VAL MG2 1 61 ALA H . . 4.240 4.200 4.155 4.251 0.011 14 0 "[ . 1 . 2]" 1
1254 1 60 VAL MG2 1 125 ALA MB . . 3.400 3.112 2.579 3.381 . 0 0 "[ . 1 . 2]" 1
1255 1 60 VAL MG2 1 126 VAL HA . . 4.560 4.106 3.720 4.553 . 0 0 "[ . 1 . 2]" 1
1256 1 61 ALA H 1 61 ALA MB . . 3.290 2.191 2.057 2.356 . 0 0 "[ . 1 . 2]" 1
1257 1 61 ALA H 1 62 ASP H . . 4.570 4.516 4.478 4.575 0.005 19 0 "[ . 1 . 2]" 1
1258 1 61 ALA H 1 64 THR H . . 3.820 3.575 3.441 3.742 . 0 0 "[ . 1 . 2]" 1
1259 1 61 ALA H 1 64 THR HB . . 4.460 3.551 3.006 4.081 . 0 0 "[ . 1 . 2]" 1
1260 1 61 ALA H 1 64 THR MG . . 4.640 4.010 3.392 4.646 0.006 2 0 "[ . 1 . 2]" 1
1261 1 61 ALA H 1 65 VAL H . . 4.620 4.594 4.515 4.662 0.042 18 0 "[ . 1 . 2]" 1
1262 1 61 ALA H 1 65 VAL MG2 . . 3.910 3.580 3.160 3.851 . 0 0 "[ . 1 . 2]" 1
1263 1 61 ALA H 1 66 THR H . . 4.420 3.645 3.459 3.991 . 0 0 "[ . 1 . 2]" 1
1264 1 61 ALA HA 1 62 ASP H . . 3.370 2.590 2.491 2.648 . 0 0 "[ . 1 . 2]" 1
1265 1 61 ALA MB 1 62 ASP H . . 3.210 2.081 1.928 2.356 . 0 0 "[ . 1 . 2]" 1
1266 1 61 ALA MB 1 62 ASP QB . . 3.910 3.474 3.310 3.829 . 0 0 "[ . 1 . 2]" 1
1267 1 61 ALA MB 1 64 THR H . . 3.870 3.042 2.662 3.870 0.000 3 0 "[ . 1 . 2]" 1
1268 1 61 ALA MB 1 64 THR HB . . 4.260 2.086 1.973 2.298 . 0 0 "[ . 1 . 2]" 1
1269 1 61 ALA MB 1 65 VAL MG2 . . 5.110 4.635 4.272 5.077 . 0 0 "[ . 1 . 2]" 1
1270 1 62 ASP H 1 62 ASP HB2 . . 3.920 2.535 2.176 3.576 . 0 0 "[ . 1 . 2]" 1
1271 1 62 ASP H 1 62 ASP QB . . 3.420 2.316 2.130 2.632 . 0 0 "[ . 1 . 2]" 1
1272 1 62 ASP H 1 62 ASP HB3 . . 3.920 2.930 2.317 3.605 . 0 0 "[ . 1 . 2]" 1
1273 1 62 ASP H 1 63 ALA H . . 4.430 3.373 2.904 4.398 . 0 0 "[ . 1 . 2]" 1
1274 1 62 ASP H 1 64 THR H . . 4.950 4.185 3.898 4.734 . 0 0 "[ . 1 . 2]" 1
1275 1 62 ASP HA 1 64 THR H . . 4.540 4.441 3.968 4.552 0.012 20 0 "[ . 1 . 2]" 1
1276 1 62 ASP QB 1 63 ALA H . . 3.960 2.498 1.890 3.961 0.001 5 0 "[ . 1 . 2]" 1
1277 1 62 ASP QB 1 63 ALA MB . . 5.330 3.418 3.137 4.003 . 0 0 "[ . 1 . 2]" 1
1278 1 62 ASP HB2 1 63 ALA H . . 4.540 3.457 1.944 4.476 . 0 0 "[ . 1 . 2]" 1
1279 1 62 ASP HB3 1 63 ALA H . . 4.540 2.759 1.900 4.418 . 0 0 "[ . 1 . 2]" 1
1280 1 63 ALA H 1 63 ALA MB . . 3.380 2.525 2.383 2.869 . 0 0 "[ . 1 . 2]" 1
1281 1 63 ALA H 1 64 THR H . . 3.130 2.696 2.449 2.865 . 0 0 "[ . 1 . 2]" 1
1282 1 63 ALA H 1 82 VAL MG2 . . 4.440 4.160 3.547 4.430 . 0 0 "[ . 1 . 2]" 1
1283 1 63 ALA HA 1 64 THR H . . 3.490 2.822 2.730 2.936 . 0 0 "[ . 1 . 2]" 1
1284 1 63 ALA HA 1 82 VAL HB . . 4.380 3.319 2.508 4.408 0.028 4 0 "[ . 1 . 2]" 1
1285 1 63 ALA HA 1 82 VAL MG2 . . 3.320 2.045 1.924 2.276 . 0 0 "[ . 1 . 2]" 1
1286 1 63 ALA MB 1 64 THR H . . 3.750 3.674 3.623 3.702 . 0 0 "[ . 1 . 2]" 1
1287 1 63 ALA MB 1 82 VAL H . . 4.430 4.281 4.024 4.431 0.001 16 0 "[ . 1 . 2]" 1
1288 1 63 ALA MB 1 82 VAL HB . . 4.210 3.104 2.574 4.214 0.004 18 0 "[ . 1 . 2]" 1
1289 1 63 ALA MB 1 82 VAL MG2 . . 3.380 2.953 1.913 3.356 . 0 0 "[ . 1 . 2]" 1
1290 1 64 THR H 1 64 THR HB . . 3.420 3.014 2.855 3.155 . 0 0 "[ . 1 . 2]" 1
1291 1 64 THR H 1 64 THR MG . . 4.040 3.986 3.863 4.047 0.007 4 0 "[ . 1 . 2]" 1
1292 1 64 THR H 1 65 VAL H . . 4.660 4.306 4.150 4.394 . 0 0 "[ . 1 . 2]" 1
1293 1 64 THR H 1 82 VAL H . . 4.920 4.280 3.952 4.697 . 0 0 "[ . 1 . 2]" 1
1294 1 64 THR H 1 82 VAL MG2 . . 4.090 3.010 2.522 3.705 . 0 0 "[ . 1 . 2]" 1
1295 1 64 THR HA 1 64 THR MG . . 3.310 2.290 2.146 2.520 . 0 0 "[ . 1 . 2]" 1
1296 1 64 THR HA 1 65 VAL H . . 3.230 2.256 2.152 2.328 . 0 0 "[ . 1 . 2]" 1
1297 1 64 THR HA 1 65 VAL HB . . 4.520 4.492 4.401 4.534 0.014 18 0 "[ . 1 . 2]" 1
1298 1 64 THR HA 1 65 VAL MG2 . . 3.880 3.637 3.416 3.877 . 0 0 "[ . 1 . 2]" 1
1299 1 64 THR HA 1 81 ARG QG . . 3.920 2.983 2.523 3.309 . 0 0 "[ . 1 . 2]" 1
1300 1 64 THR HA 1 82 VAL H . . 3.810 2.369 1.939 2.690 . 0 0 "[ . 1 . 2]" 1
1301 1 64 THR HA 1 82 VAL MG2 . . 4.040 2.927 2.521 3.394 . 0 0 "[ . 1 . 2]" 1
1302 1 64 THR HB 1 65 VAL H . . 4.040 3.825 3.629 4.048 0.008 2 0 "[ . 1 . 2]" 1
1303 1 64 THR HB 1 81 ARG QG . . 4.410 4.221 3.947 4.415 0.005 4 0 "[ . 1 . 2]" 1
1304 1 64 THR MG 1 65 VAL H . . 3.290 2.097 1.880 2.633 . 0 0 "[ . 1 . 2]" 1
1305 1 64 THR MG 1 66 THR H . . 4.450 3.537 3.081 4.006 . 0 0 "[ . 1 . 2]" 1
1306 1 64 THR MG 1 79 GLU HG2 . . 4.290 3.846 3.488 4.293 0.003 19 0 "[ . 1 . 2]" 1
1307 1 64 THR MG 1 79 GLU QG . . 3.670 3.421 3.237 3.676 0.006 19 0 "[ . 1 . 2]" 1
1308 1 64 THR MG 1 79 GLU HG3 . . 4.290 3.866 3.547 4.102 . 0 0 "[ . 1 . 2]" 1
1309 1 64 THR MG 1 80 CYS H . . 4.590 4.226 3.970 4.455 . 0 0 "[ . 1 . 2]" 1
1310 1 64 THR MG 1 81 ARG H . . 5.000 4.588 4.333 4.960 . 0 0 "[ . 1 . 2]" 1
1311 1 64 THR MG 1 81 ARG QB . . 4.540 3.672 3.047 4.193 . 0 0 "[ . 1 . 2]" 1
1312 1 64 THR MG 1 81 ARG HD2 . . 5.450 3.670 2.286 4.846 . 0 0 "[ . 1 . 2]" 1
1313 1 64 THR MG 1 81 ARG QD . . 4.630 3.394 2.268 4.104 . 0 0 "[ . 1 . 2]" 1
1314 1 64 THR MG 1 81 ARG HD3 . . 5.450 4.262 3.516 5.162 . 0 0 "[ . 1 . 2]" 1
1315 1 64 THR MG 1 81 ARG QG . . 3.210 2.108 1.812 2.475 . 0 0 "[ . 1 . 2]" 1
1316 1 64 THR MG 1 82 VAL H . . 4.470 3.974 3.483 4.396 . 0 0 "[ . 1 . 2]" 1
1317 1 65 VAL H 1 65 VAL HB . . 3.660 2.711 2.540 2.805 . 0 0 "[ . 1 . 2]" 1
1318 1 65 VAL H 1 65 VAL MG2 . . 3.420 3.011 2.856 3.111 . 0 0 "[ . 1 . 2]" 1
1319 1 65 VAL H 1 66 THR H . . 4.470 3.942 3.849 4.169 . 0 0 "[ . 1 . 2]" 1
1320 1 65 VAL H 1 80 CYS H . . 4.100 4.056 3.807 4.121 0.021 17 0 "[ . 1 . 2]" 1
1321 1 65 VAL H 1 80 CYS HB2 . . 5.500 5.466 5.304 5.506 0.006 10 0 "[ . 1 . 2]" 1
1322 1 65 VAL H 1 80 CYS HB3 . . 4.490 3.957 3.755 4.062 . 0 0 "[ . 1 . 2]" 1
1323 1 65 VAL H 1 81 ARG HA . . 3.870 2.584 2.444 2.851 . 0 0 "[ . 1 . 2]" 1
1324 1 65 VAL H 1 82 VAL H . . 4.310 3.553 3.099 4.118 . 0 0 "[ . 1 . 2]" 1
1325 1 65 VAL H 1 82 VAL MG2 . . 5.020 4.038 3.313 4.872 . 0 0 "[ . 1 . 2]" 1
1326 1 65 VAL HA 1 65 VAL MG1 . . 3.400 2.393 2.330 2.475 . 0 0 "[ . 1 . 2]" 1
1327 1 65 VAL HA 1 65 VAL MG2 . . 3.630 2.291 2.209 2.406 . 0 0 "[ . 1 . 2]" 1
1328 1 65 VAL HA 1 66 THR H . . 3.130 2.182 2.143 2.210 . 0 0 "[ . 1 . 2]" 1
1329 1 65 VAL HB 1 66 THR H . . 4.530 4.441 4.335 4.490 . 0 0 "[ . 1 . 2]" 1
1330 1 65 VAL HB 1 80 CYS H . . 4.100 4.035 3.754 4.106 0.006 13 0 "[ . 1 . 2]" 1
1331 1 65 VAL HB 1 80 CYS HB2 . . 4.410 4.253 4.007 4.414 0.004 2 0 "[ . 1 . 2]" 1
1332 1 65 VAL HB 1 80 CYS HB3 . . 3.960 2.526 2.292 2.657 . 0 0 "[ . 1 . 2]" 1
1333 1 65 VAL MG1 1 66 THR H . . 3.340 3.131 2.719 3.299 . 0 0 "[ . 1 . 2]" 1
1334 1 65 VAL MG1 1 66 THR HA . . 4.500 3.830 3.675 3.977 . 0 0 "[ . 1 . 2]" 1
1335 1 65 VAL MG1 1 80 CYS H . . 4.060 3.938 3.755 4.065 0.005 9 0 "[ . 1 . 2]" 1
1336 1 65 VAL MG1 1 80 CYS HB2 . . 4.420 4.227 3.709 4.412 . 0 0 "[ . 1 . 2]" 1
1337 1 65 VAL MG1 1 80 CYS HB3 . . 4.010 2.994 2.432 3.208 . 0 0 "[ . 1 . 2]" 1
1338 1 65 VAL MG1 1 99 PHE QD . . 4.800 4.316 3.993 4.610 . 0 0 "[ . 1 . 2]" 1
1339 1 65 VAL MG1 1 99 PHE QE . . 3.700 3.284 2.976 3.501 . 0 0 "[ . 1 . 2]" 1
1340 1 65 VAL MG1 1 99 PHE HZ . . 3.860 3.614 3.220 3.845 . 0 0 "[ . 1 . 2]" 1
1341 1 65 VAL MG2 1 126 VAL HA . . 4.410 3.506 3.212 3.675 . 0 0 "[ . 1 . 2]" 1
1342 1 65 VAL MG2 1 126 VAL HB . . 4.150 3.205 2.950 3.462 . 0 0 "[ . 1 . 2]" 1
1343 1 65 VAL MG2 1 129 ALA MB . . 3.920 3.666 3.236 3.919 . 0 0 "[ . 1 . 2]" 1
1344 1 66 THR H 1 66 THR HB . . 3.580 2.678 2.608 2.830 . 0 0 "[ . 1 . 2]" 1
1345 1 66 THR H 1 66 THR MG . . 4.000 3.852 3.829 3.888 . 0 0 "[ . 1 . 2]" 1
1346 1 66 THR H 1 67 VAL H . . 4.640 4.520 4.449 4.552 . 0 0 "[ . 1 . 2]" 1
1347 1 66 THR H 1 67 VAL MG2 . . 5.360 4.817 4.657 4.999 . 0 0 "[ . 1 . 2]" 1
1348 1 66 THR H 1 80 CYS H . . 5.500 4.803 4.679 4.887 . 0 0 "[ . 1 . 2]" 1
1349 1 66 THR HA 1 66 THR MG . . 3.260 2.295 2.167 2.413 . 0 0 "[ . 1 . 2]" 1
1350 1 66 THR HA 1 67 VAL H . . 3.270 2.235 2.176 2.284 . 0 0 "[ . 1 . 2]" 1
1351 1 66 THR HA 1 67 VAL MG2 . . 4.500 3.701 3.505 3.919 . 0 0 "[ . 1 . 2]" 1
1352 1 66 THR HA 1 76 VAL QG . . 5.070 3.950 3.649 4.162 . 0 0 "[ . 1 . 2]" 1
1353 1 66 THR HA 1 78 VAL H . . 5.500 5.058 4.609 5.328 . 0 0 "[ . 1 . 2]" 1
1354 1 66 THR HA 1 79 GLU H . . 5.220 5.087 4.936 5.209 . 0 0 "[ . 1 . 2]" 1
1355 1 66 THR HA 1 80 CYS H . . 3.980 2.775 2.566 2.994 . 0 0 "[ . 1 . 2]" 1
1356 1 66 THR HB 1 67 VAL H . . 4.000 3.823 3.702 4.003 0.003 16 0 "[ . 1 . 2]" 1
1357 1 66 THR HB 1 68 ILE MD . . 3.820 3.635 3.422 3.823 0.003 17 0 "[ . 1 . 2]" 1
1358 1 66 THR HB 1 68 ILE QG . . 4.220 3.469 3.286 3.664 . 0 0 "[ . 1 . 2]" 1
1359 1 66 THR MG 1 67 VAL H . . 3.310 2.167 1.894 2.558 . 0 0 "[ . 1 . 2]" 1
1360 1 66 THR MG 1 68 ILE MD . . 3.530 3.377 3.077 3.531 0.001 17 0 "[ . 1 . 2]" 1
1361 1 66 THR MG 1 68 ILE HG12 . . 3.470 3.210 3.023 3.443 . 0 0 "[ . 1 . 2]" 1
1362 1 66 THR MG 1 68 ILE QG . . 2.910 2.632 2.392 2.815 . 0 0 "[ . 1 . 2]" 1
1363 1 66 THR MG 1 68 ILE HG13 . . 3.470 2.808 2.470 3.145 . 0 0 "[ . 1 . 2]" 1
1364 1 66 THR MG 1 76 VAL HB . . 4.480 3.741 3.000 4.485 0.005 14 0 "[ . 1 . 2]" 1
1365 1 66 THR MG 1 76 VAL MG1 . . 4.150 3.115 1.836 4.104 . 0 0 "[ . 1 . 2]" 1
1366 1 66 THR MG 1 76 VAL QG . . 2.740 1.963 1.770 2.145 . 0 0 "[ . 1 . 2]" 1
1367 1 66 THR MG 1 76 VAL MG2 . . 4.150 2.274 1.776 2.956 . 0 0 "[ . 1 . 2]" 1
1368 1 66 THR MG 1 78 VAL H . . 4.460 4.005 3.462 4.363 . 0 0 "[ . 1 . 2]" 1
1369 1 66 THR MG 1 79 GLU H . . 4.850 4.664 4.401 4.853 0.003 5 0 "[ . 1 . 2]" 1
1370 1 66 THR MG 1 79 GLU HB2 . . 3.520 3.276 2.971 3.523 0.003 16 0 "[ . 1 . 2]" 1
1371 1 66 THR MG 1 79 GLU HG2 . . 4.440 4.124 3.570 4.406 . 0 0 "[ . 1 . 2]" 1
1372 1 66 THR MG 1 79 GLU QG . . 3.860 2.629 2.098 3.028 . 0 0 "[ . 1 . 2]" 1
1373 1 66 THR MG 1 79 GLU HG3 . . 4.440 2.661 2.113 3.093 . 0 0 "[ . 1 . 2]" 1
1374 1 66 THR MG 1 80 CYS H . . 4.350 4.151 3.823 4.350 . 0 0 "[ . 1 . 2]" 1
1375 1 67 VAL H 1 67 VAL HB . . 3.690 2.504 2.430 2.569 . 0 0 "[ . 1 . 2]" 1
1376 1 67 VAL H 1 67 VAL MG1 . . 3.950 3.773 3.713 3.817 . 0 0 "[ . 1 . 2]" 1
1377 1 67 VAL H 1 67 VAL MG2 . . 3.380 2.801 2.531 3.078 . 0 0 "[ . 1 . 2]" 1
1378 1 67 VAL H 1 76 VAL QG . . 4.070 3.178 2.828 3.678 . 0 0 "[ . 1 . 2]" 1
1379 1 67 VAL H 1 78 VAL H . . 3.980 3.084 2.746 3.370 . 0 0 "[ . 1 . 2]" 1
1380 1 67 VAL H 1 78 VAL HA . . 5.220 4.827 4.620 4.960 . 0 0 "[ . 1 . 2]" 1
1381 1 67 VAL H 1 78 VAL HB . . 4.000 3.863 3.298 4.019 0.019 5 0 "[ . 1 . 2]" 1
1382 1 67 VAL H 1 78 VAL MG1 . . 4.560 4.266 3.881 4.482 . 0 0 "[ . 1 . 2]" 1
1383 1 67 VAL H 1 78 VAL MG2 . . 5.290 5.025 4.540 5.149 . 0 0 "[ . 1 . 2]" 1
1384 1 67 VAL H 1 79 GLU H . . 4.900 4.850 4.747 4.896 . 0 0 "[ . 1 . 2]" 1
1385 1 67 VAL HB 1 68 ILE H . . 4.610 4.381 4.307 4.485 . 0 0 "[ . 1 . 2]" 1
1386 1 67 VAL HB 1 77 LEU H . . 4.560 3.935 3.392 4.506 . 0 0 "[ . 1 . 2]" 1
1387 1 67 VAL HB 1 78 VAL H . . 3.950 1.958 1.883 2.165 . 0 0 "[ . 1 . 2]" 1
1388 1 67 VAL HB 1 78 VAL MG1 . . 4.000 3.859 3.537 4.011 0.011 16 0 "[ . 1 . 2]" 1
1389 1 67 VAL HB 1 78 VAL MG2 . . 3.570 3.417 2.974 3.569 . 0 0 "[ . 1 . 2]" 1
1390 1 67 VAL MG1 1 68 ILE H . . 3.420 2.878 2.576 3.118 . 0 0 "[ . 1 . 2]" 1
1391 1 67 VAL MG1 1 77 LEU HA . . 4.450 4.469 4.401 4.573 0.123 17 0 "[ . 1 . 2]" 1
1392 1 67 VAL MG1 1 77 LEU HB2 . . 3.890 1.932 1.895 1.974 . 0 0 "[ . 1 . 2]" 1
1393 1 67 VAL MG1 1 77 LEU QB . . 3.410 1.909 1.873 1.963 . 0 0 "[ . 1 . 2]" 1
1394 1 67 VAL MG1 1 77 LEU HB3 . . 3.890 3.070 2.560 3.515 . 0 0 "[ . 1 . 2]" 1
1395 1 67 VAL MG1 1 78 VAL H . . 4.160 3.000 2.626 3.461 . 0 0 "[ . 1 . 2]" 1
1396 1 67 VAL MG1 1 78 VAL HB . . 3.750 3.394 3.023 3.673 . 0 0 "[ . 1 . 2]" 1
1397 1 67 VAL MG1 1 113 PHE QE . . 3.670 2.467 2.075 2.981 . 0 0 "[ . 1 . 2]" 1
1398 1 67 VAL MG2 1 68 ILE H . . 4.120 4.025 3.852 4.128 0.008 12 0 "[ . 1 . 2]" 1
1399 1 67 VAL MG2 1 78 VAL H . . 4.010 3.584 3.433 3.738 . 0 0 "[ . 1 . 2]" 1
1400 1 67 VAL MG2 1 78 VAL HB . . 3.400 2.350 2.155 2.563 . 0 0 "[ . 1 . 2]" 1
1401 1 67 VAL MG2 1 78 VAL MG1 . . 3.260 3.126 2.702 3.260 . 14 0 "[ . 1 . 2]" 1
1402 1 67 VAL MG2 1 80 CYS H . . 4.570 4.247 3.988 4.571 0.001 2 0 "[ . 1 . 2]" 1
1403 1 67 VAL MG2 1 99 PHE QE . . 4.190 3.826 3.567 4.117 . 0 0 "[ . 1 . 2]" 1
1404 1 67 VAL MG2 1 113 PHE QE . . 3.740 2.537 2.052 2.927 . 0 0 "[ . 1 . 2]" 1
1405 1 67 VAL MG2 1 113 PHE HZ . . 3.400 2.330 1.995 2.796 . 0 0 "[ . 1 . 2]" 1
1406 1 68 ILE H 1 68 ILE HB . . 3.550 2.602 2.536 2.726 . 0 0 "[ . 1 . 2]" 1
1407 1 68 ILE H 1 68 ILE MD . . 3.990 3.825 3.701 3.940 . 0 0 "[ . 1 . 2]" 1
1408 1 68 ILE H 1 68 ILE HG12 . . 4.110 3.903 3.698 4.049 . 0 0 "[ . 1 . 2]" 1
1409 1 68 ILE H 1 68 ILE HG13 . . 4.110 2.650 2.459 2.783 . 0 0 "[ . 1 . 2]" 1
1410 1 68 ILE H 1 68 ILE MG . . 3.930 3.833 3.797 3.891 . 0 0 "[ . 1 . 2]" 1
1411 1 68 ILE H 1 69 SER H . . 5.000 4.501 4.400 4.549 . 0 0 "[ . 1 . 2]" 1
1412 1 68 ILE HB 1 68 ILE MD . . 3.340 2.288 2.201 2.411 . 0 0 "[ . 1 . 2]" 1
1413 1 68 ILE HB 1 69 SER H . . 4.500 3.890 3.726 4.198 . 0 0 "[ . 1 . 2]" 1
1414 1 68 ILE MD 1 68 ILE MG . . 2.900 2.120 1.936 2.244 . 0 0 "[ . 1 . 2]" 1
1415 1 68 ILE MD 1 73 GLU HA . . 4.220 3.588 2.964 3.928 . 0 0 "[ . 1 . 2]" 1
1416 1 68 ILE MD 1 73 GLU QB . . 3.930 3.786 3.375 3.951 0.021 17 0 "[ . 1 . 2]" 1
1417 1 68 ILE MD 1 76 VAL HA . . 4.880 4.755 4.528 4.894 0.014 17 0 "[ . 1 . 2]" 1
1418 1 68 ILE QG 1 69 SER H . . 4.410 4.006 3.888 4.163 . 0 0 "[ . 1 . 2]" 1
1419 1 68 ILE QG 1 76 VAL HA . . 3.900 3.158 2.938 3.297 . 0 0 "[ . 1 . 2]" 1
1420 1 68 ILE HG12 1 69 SER H . . 5.140 4.251 4.101 4.431 . 0 0 "[ . 1 . 2]" 1
1421 1 68 ILE HG12 1 76 VAL HA . . 4.470 3.279 3.029 3.425 . 0 0 "[ . 1 . 2]" 1
1422 1 68 ILE HG13 1 69 SER H . . 5.140 4.902 4.826 5.055 . 0 0 "[ . 1 . 2]" 1
1423 1 68 ILE HG13 1 76 VAL HA . . 4.470 4.137 3.835 4.401 . 0 0 "[ . 1 . 2]" 1
1424 1 68 ILE MG 1 69 SER H . . 3.340 2.118 1.912 2.382 . 0 0 "[ . 1 . 2]" 1
1425 1 68 ILE MG 1 69 SER HB3 . . 3.910 3.694 3.315 3.904 . 0 0 "[ . 1 . 2]" 1
1426 1 68 ILE MG 1 70 GLU H . . 5.360 4.776 4.273 5.043 . 0 0 "[ . 1 . 2]" 1
1427 1 68 ILE MG 1 73 GLU H . . 4.710 4.160 3.970 4.465 . 0 0 "[ . 1 . 2]" 1
1428 1 68 ILE MG 1 73 GLU HA . . 3.100 2.017 1.818 2.228 . 0 0 "[ . 1 . 2]" 1
1429 1 68 ILE MG 1 73 GLU QB . . 3.720 3.340 3.079 3.655 . 0 0 "[ . 1 . 2]" 1
1430 1 68 ILE MG 1 73 GLU HG2 . . 5.500 4.430 3.547 5.394 . 0 0 "[ . 1 . 2]" 1
1431 1 68 ILE MG 1 73 GLU QG . . 4.820 3.912 2.669 4.473 . 0 0 "[ . 1 . 2]" 1
1432 1 68 ILE MG 1 73 GLU HG3 . . 5.500 4.567 2.729 5.396 . 0 0 "[ . 1 . 2]" 1
1433 1 68 ILE MG 1 74 GLU H . . 4.410 4.095 3.374 4.340 . 0 0 "[ . 1 . 2]" 1
1434 1 68 ILE MG 1 74 GLU HA . . 4.340 4.175 3.593 4.334 . 0 0 "[ . 1 . 2]" 1
1435 1 68 ILE MG 1 75 GLU H . . 3.780 3.208 2.775 3.676 . 0 0 "[ . 1 . 2]" 1
1436 1 68 ILE MG 1 75 GLU HB3 . . 3.810 3.235 2.914 3.434 . 0 0 "[ . 1 . 2]" 1
1437 1 68 ILE MG 1 76 VAL H . . 5.500 4.848 4.528 5.071 . 0 0 "[ . 1 . 2]" 1
1438 1 68 ILE MG 1 76 VAL HA . . 4.090 3.872 3.540 4.089 . 0 0 "[ . 1 . 2]" 1
1439 1 68 ILE MG 1 77 LEU H . . 4.910 4.532 4.145 4.898 . 0 0 "[ . 1 . 2]" 1
1440 1 69 SER H 1 69 SER HB2 . . 3.540 2.409 2.267 2.631 . 0 0 "[ . 1 . 2]" 1
1441 1 69 SER H 1 69 SER HB3 . . 3.690 2.746 2.539 2.864 . 0 0 "[ . 1 . 2]" 1
1442 1 69 SER H 1 75 GLU H . . 4.700 4.317 3.923 4.683 . 0 0 "[ . 1 . 2]" 1
1443 1 69 SER H 1 75 GLU HB2 . . 4.660 4.520 4.310 4.661 0.001 16 0 "[ . 1 . 2]" 1
1444 1 69 SER H 1 75 GLU HB3 . . 3.960 2.837 2.616 3.023 . 0 0 "[ . 1 . 2]" 1
1445 1 69 SER H 1 76 VAL HA . . 4.850 4.231 3.572 4.796 . 0 0 "[ . 1 . 2]" 1
1446 1 69 SER H 1 77 LEU H . . 4.410 3.837 3.235 4.405 . 0 0 "[ . 1 . 2]" 1
1447 1 69 SER H 1 77 LEU MD1 . . 4.480 3.621 3.189 4.080 . 0 0 "[ . 1 . 2]" 1
1448 1 69 SER H 1 77 LEU QD . . 3.630 3.378 3.102 3.653 0.023 5 0 "[ . 1 . 2]" 1
1449 1 69 SER H 1 77 LEU MD2 . . 4.480 4.087 3.559 4.465 . 0 0 "[ . 1 . 2]" 1
1450 1 69 SER H 1 77 LEU HG . . 4.080 3.214 2.608 3.699 . 0 0 "[ . 1 . 2]" 1
1451 1 69 SER HA 1 70 GLU H . . 3.090 2.333 2.139 2.518 . 0 0 "[ . 1 . 2]" 1
1452 1 69 SER HA 1 77 LEU QD . . 3.240 2.547 2.095 2.991 . 0 0 "[ . 1 . 2]" 1
1453 1 69 SER HB2 1 70 GLU H . . 4.410 4.050 3.769 4.409 . 0 0 "[ . 1 . 2]" 1
1454 1 69 SER HB2 1 72 ASN H . . 4.570 4.234 3.933 4.495 . 0 0 "[ . 1 . 2]" 1
1455 1 69 SER HB2 1 75 GLU H . . 5.500 5.283 4.729 5.503 0.003 19 0 "[ . 1 . 2]" 1
1456 1 69 SER HB2 1 75 GLU HB2 . . 4.310 4.128 3.720 4.317 0.007 11 0 "[ . 1 . 2]" 1
1457 1 69 SER HB2 1 75 GLU HB3 . . 4.050 2.990 2.450 3.292 . 0 0 "[ . 1 . 2]" 1
1458 1 69 SER HB2 1 75 GLU QG . . 4.270 2.134 1.880 2.593 . 0 0 "[ . 1 . 2]" 1
1459 1 69 SER HB2 1 77 LEU MD1 . . 3.870 3.069 2.568 3.753 . 0 0 "[ . 1 . 2]" 1
1460 1 69 SER HB2 1 77 LEU MD2 . . 3.870 2.698 2.161 3.677 . 0 0 "[ . 1 . 2]" 1
1461 1 69 SER HB2 1 77 LEU HG . . 4.480 2.972 2.229 4.021 . 0 0 "[ . 1 . 2]" 1
1462 1 69 SER HB3 1 70 GLU H . . 4.260 3.536 3.063 4.264 0.004 11 0 "[ . 1 . 2]" 1
1463 1 69 SER HB3 1 71 LYS H . . 3.720 3.268 2.429 3.705 . 0 0 "[ . 1 . 2]" 1
1464 1 69 SER HB3 1 72 ASN H . . 4.260 2.575 2.258 2.869 . 0 0 "[ . 1 . 2]" 1
1465 1 69 SER HB3 1 75 GLU H . . 5.220 4.748 4.226 5.171 . 0 0 "[ . 1 . 2]" 1
1466 1 69 SER HB3 1 75 GLU HB2 . . 4.220 3.861 3.409 4.214 . 0 0 "[ . 1 . 2]" 1
1467 1 69 SER HB3 1 75 GLU HB3 . . 3.740 2.662 2.296 3.000 . 0 0 "[ . 1 . 2]" 1
1468 1 69 SER HB3 1 75 GLU HG2 . . 4.090 3.015 2.022 3.801 . 0 0 "[ . 1 . 2]" 1
1469 1 69 SER HB3 1 75 GLU QG . . 3.480 2.845 2.006 3.472 . 0 0 "[ . 1 . 2]" 1
1470 1 69 SER HB3 1 75 GLU HG3 . . 4.090 3.643 2.858 4.095 0.005 11 0 "[ . 1 . 2]" 1
1471 1 69 SER HB3 1 77 LEU MD1 . . 5.500 4.336 3.800 4.970 . 0 0 "[ . 1 . 2]" 1
1472 1 69 SER HB3 1 77 LEU MD2 . . 5.500 4.157 3.642 5.211 . 0 0 "[ . 1 . 2]" 1
1473 1 70 GLU H 1 70 GLU HB2 . . 3.460 2.406 2.174 2.733 . 0 0 "[ . 1 . 2]" 1
1474 1 70 GLU H 1 70 GLU QB . . 3.030 2.235 2.153 2.282 . 0 0 "[ . 1 . 2]" 1
1475 1 70 GLU H 1 70 GLU HB3 . . 3.460 2.765 2.435 3.483 0.023 4 0 "[ . 1 . 2]" 1
1476 1 70 GLU H 1 70 GLU HG2 . . 5.140 4.363 3.806 4.636 . 0 0 "[ . 1 . 2]" 1
1477 1 70 GLU H 1 70 GLU QG . . 4.350 3.865 2.903 4.076 . 0 0 "[ . 1 . 2]" 1
1478 1 70 GLU H 1 70 GLU HG3 . . 5.140 4.349 3.012 4.681 . 0 0 "[ . 1 . 2]" 1
1479 1 70 GLU H 1 71 LYS H . . 3.390 2.597 2.346 2.944 . 0 0 "[ . 1 . 2]" 1
1480 1 70 GLU H 1 77 LEU QD . . 4.810 4.177 3.765 4.559 . 0 0 "[ . 1 . 2]" 1
1481 1 70 GLU HA 1 70 GLU QG . . 3.100 2.360 2.127 2.740 . 0 0 "[ . 1 . 2]" 1
1482 1 70 GLU HA 1 71 LYS H . . 3.540 3.486 2.943 3.550 0.010 2 0 "[ . 1 . 2]" 1
1483 1 70 GLU QB 1 71 LYS H . . 3.860 2.711 2.479 3.755 . 0 0 "[ . 1 . 2]" 1
1484 1 70 GLU HG2 1 71 LYS H . . 5.500 4.538 3.597 5.111 . 0 0 "[ . 1 . 2]" 1
1485 1 70 GLU HG3 1 71 LYS H . . 5.500 5.027 4.178 5.362 . 0 0 "[ . 1 . 2]" 1
1486 1 71 LYS H 1 71 LYS QB . . 3.050 2.431 2.232 2.805 . 0 0 "[ . 1 . 2]" 1
1487 1 71 LYS H 1 71 LYS HG2 . . 3.800 2.616 1.899 3.800 0.000 3 0 "[ . 1 . 2]" 1
1488 1 71 LYS H 1 71 LYS QG . . 3.320 2.341 1.883 2.809 . 0 0 "[ . 1 . 2]" 1
1489 1 71 LYS H 1 71 LYS HG3 . . 3.800 3.227 2.129 3.800 0.000 18 0 "[ . 1 . 2]" 1
1490 1 71 LYS H 1 72 ASN H . . 3.480 2.770 1.996 3.085 . 0 0 "[ . 1 . 2]" 1
1491 1 71 LYS HA 1 71 LYS HG2 . . 3.830 2.873 2.265 3.780 . 0 0 "[ . 1 . 2]" 1
1492 1 71 LYS HA 1 71 LYS HG3 . . 3.830 3.614 3.008 3.839 0.009 18 0 "[ . 1 . 2]" 1
1493 1 71 LYS QB 1 72 ASN H . . 3.810 2.422 1.910 3.576 . 0 0 "[ . 1 . 2]" 1
1494 1 71 LYS HB2 1 72 ASN H . . 4.370 2.523 1.938 3.992 . 0 0 "[ . 1 . 2]" 1
1495 1 71 LYS HB3 1 72 ASN H . . 4.370 3.277 2.758 4.036 . 0 0 "[ . 1 . 2]" 1
1496 1 72 ASN H 1 73 GLU H . . 4.570 4.492 4.305 4.624 0.054 20 0 "[ . 1 . 2]" 1
1497 1 72 ASN HA 1 73 GLU H . . 3.080 2.312 2.170 2.526 . 0 0 "[ . 1 . 2]" 1
1498 1 72 ASN QB 1 72 ASN QD . . 2.960 2.144 2.062 2.657 . 0 0 "[ . 1 . 2]" 1
1499 1 72 ASN QB 1 75 GLU H . . 3.840 2.669 2.212 3.141 . 0 0 "[ . 1 . 2]" 1
1500 1 72 ASN QB 1 75 GLU HB2 . . 4.150 2.370 1.991 3.404 . 0 0 "[ . 1 . 2]" 1
1501 1 72 ASN QB 1 75 GLU HB3 . . 3.990 2.531 1.873 3.386 . 0 0 "[ . 1 . 2]" 1
1502 1 72 ASN HB2 1 72 ASN HD22 . . 3.970 3.563 3.433 3.966 . 0 0 "[ . 1 . 2]" 1
1503 1 72 ASN HB2 1 73 GLU H . . 4.170 3.578 2.521 4.182 0.012 20 0 "[ . 1 . 2]" 1
1504 1 72 ASN HB2 1 75 GLU H . . 4.480 3.205 2.493 4.475 . 0 0 "[ . 1 . 2]" 1
1505 1 72 ASN HB2 1 75 GLU HB3 . . 4.600 2.922 2.004 3.895 . 0 0 "[ . 1 . 2]" 1
1506 1 72 ASN HB3 1 72 ASN HD22 . . 3.970 3.773 3.437 4.068 0.098 15 0 "[ . 1 . 2]" 1
1507 1 72 ASN HB3 1 73 GLU H . . 4.170 3.094 2.360 4.141 . 0 0 "[ . 1 . 2]" 1
1508 1 72 ASN HB3 1 75 GLU H . . 4.480 3.408 2.228 4.404 . 0 0 "[ . 1 . 2]" 1
1509 1 72 ASN HB3 1 75 GLU HB3 . . 4.600 3.601 1.997 4.589 . 0 0 "[ . 1 . 2]" 1
1510 1 72 ASN QD 1 75 GLU H . . 4.730 3.904 2.976 4.708 . 0 0 "[ . 1 . 2]" 1
1511 1 72 ASN QD 1 75 GLU HB3 . . 4.780 3.342 2.122 3.871 . 0 0 "[ . 1 . 2]" 1
1512 1 72 ASN QD 1 75 GLU QG . . 4.250 3.430 2.442 4.185 . 0 0 "[ . 1 . 2]" 1
1513 1 72 ASN HD21 1 75 GLU HB2 . . 4.100 2.457 2.073 3.183 . 0 0 "[ . 1 . 2]" 1
1514 1 72 ASN HD22 1 75 GLU HB2 . . 4.100 3.618 2.083 4.100 . 0 0 "[ . 1 . 2]" 1
1515 1 73 GLU H 1 73 GLU HB2 . . 3.730 3.022 2.473 3.745 0.015 8 0 "[ . 1 . 2]" 1
1516 1 73 GLU H 1 73 GLU QB . . 3.150 2.553 2.234 2.911 . 0 0 "[ . 1 . 2]" 1
1517 1 73 GLU H 1 73 GLU HB3 . . 3.730 3.139 2.367 3.687 . 0 0 "[ . 1 . 2]" 1
1518 1 73 GLU H 1 73 GLU HG2 . . 4.730 3.168 2.045 4.558 . 0 0 "[ . 1 . 2]" 1
1519 1 73 GLU H 1 73 GLU QG . . 3.960 2.699 1.974 3.964 0.004 18 0 "[ . 1 . 2]" 1
1520 1 73 GLU H 1 73 GLU HG3 . . 4.730 3.317 1.986 4.617 . 0 0 "[ . 1 . 2]" 1
1521 1 73 GLU H 1 74 GLU H . . 3.490 2.298 1.975 2.754 . 0 0 "[ . 1 . 2]" 1
1522 1 73 GLU H 1 75 GLU H . . 4.500 3.649 3.287 4.001 . 0 0 "[ . 1 . 2]" 1
1523 1 73 GLU HA 1 73 GLU QG . . 3.720 2.910 2.369 3.482 . 0 0 "[ . 1 . 2]" 1
1524 1 73 GLU QB 1 74 GLU H . . 4.060 2.995 1.984 3.966 . 0 0 "[ . 1 . 2]" 1
1525 1 73 GLU QG 1 74 GLU H . . 4.140 3.308 1.912 4.135 . 0 0 "[ . 1 . 2]" 1
1526 1 74 GLU H 1 74 GLU QB . . 3.150 2.605 2.215 3.003 . 0 0 "[ . 1 . 2]" 1
1527 1 74 GLU H 1 74 GLU QG . . 3.200 2.166 1.928 2.746 . 0 0 "[ . 1 . 2]" 1
1528 1 74 GLU HA 1 74 GLU QG . . 3.470 3.372 3.315 3.451 . 0 0 "[ . 1 . 2]" 1
1529 1 74 GLU HA 1 76 VAL QG . . 4.860 4.363 3.627 4.876 0.016 20 0 "[ . 1 . 2]" 1
1530 1 74 GLU QG 1 75 GLU H . . 3.410 2.704 2.125 3.293 . 0 0 "[ . 1 . 2]" 1
1531 1 75 GLU H 1 75 GLU HB2 . . 3.190 2.729 2.522 2.940 . 0 0 "[ . 1 . 2]" 1
1532 1 75 GLU H 1 75 GLU HB3 . . 3.280 2.414 2.303 2.552 . 0 0 "[ . 1 . 2]" 1
1533 1 75 GLU H 1 76 VAL H . . 4.490 4.233 3.900 4.464 . 0 0 "[ . 1 . 2]" 1
1534 1 75 GLU H 1 76 VAL QG . . 5.200 4.812 4.157 5.188 . 0 0 "[ . 1 . 2]" 1
1535 1 75 GLU HA 1 75 GLU QG . . 3.720 2.968 2.509 3.190 . 0 0 "[ . 1 . 2]" 1
1536 1 75 GLU HA 1 76 VAL H . . 2.900 2.203 2.139 2.320 . 0 0 "[ . 1 . 2]" 1
1537 1 75 GLU HB2 1 76 VAL H . . 4.550 4.426 4.226 4.576 0.026 18 0 "[ . 1 . 2]" 1
1538 1 75 GLU HB3 1 76 VAL H . . 4.630 4.469 4.312 4.521 . 0 0 "[ . 1 . 2]" 1
1539 1 75 GLU HB3 1 77 LEU QD . . 4.740 4.213 3.888 4.536 . 0 0 "[ . 1 . 2]" 1
1540 1 75 GLU QG 1 76 VAL H . . 4.170 3.711 3.062 4.097 . 0 0 "[ . 1 . 2]" 1
1541 1 75 GLU QG 1 77 LEU QD . . 3.210 2.323 1.972 2.705 . 0 0 "[ . 1 . 2]" 1
1542 1 76 VAL H 1 76 VAL HB . . 3.160 2.735 2.369 3.174 0.014 9 0 "[ . 1 . 2]" 1
1543 1 76 VAL H 1 76 VAL MG1 . . 3.830 2.760 1.829 3.823 . 0 0 "[ . 1 . 2]" 1
1544 1 76 VAL H 1 76 VAL QG . . 2.990 2.179 1.825 2.707 . 0 0 "[ . 1 . 2]" 1
1545 1 76 VAL H 1 76 VAL MG2 . . 3.830 3.223 2.244 3.811 . 0 0 "[ . 1 . 2]" 1
1546 1 76 VAL H 1 77 LEU H . . 4.480 4.064 3.714 4.446 . 0 0 "[ . 1 . 2]" 1
1547 1 76 VAL HA 1 76 VAL MG1 . . 3.400 2.828 2.288 3.202 . 0 0 "[ . 1 . 2]" 1
1548 1 76 VAL HA 1 76 VAL MG2 . . 3.400 2.378 2.204 2.483 . 0 0 "[ . 1 . 2]" 1
1549 1 76 VAL HA 1 77 LEU H . . 3.500 2.248 2.141 2.379 . 0 0 "[ . 1 . 2]" 1
1550 1 76 VAL HA 1 77 LEU HG . . 4.390 4.067 3.640 4.404 0.014 10 0 "[ . 1 . 2]" 1
1551 1 76 VAL HA 1 78 VAL H . . 4.510 3.941 3.642 4.358 . 0 0 "[ . 1 . 2]" 1
1552 1 76 VAL QG 1 77 LEU H . . 3.400 3.145 2.521 3.410 0.010 14 0 "[ . 1 . 2]" 1
1553 1 76 VAL QG 1 78 VAL H . . 4.140 2.895 2.419 3.482 . 0 0 "[ . 1 . 2]" 1
1554 1 76 VAL QG 1 78 VAL HA . . 4.100 3.583 3.305 3.808 . 0 0 "[ . 1 . 2]" 1
1555 1 76 VAL QG 1 79 GLU H . . 4.150 3.657 3.356 4.150 . 0 0 "[ . 1 . 2]" 1
1556 1 76 VAL QG 1 79 GLU HB2 . . 3.840 2.357 2.105 2.649 . 0 0 "[ . 1 . 2]" 1
1557 1 76 VAL QG 1 79 GLU QG . . 4.410 3.262 2.954 3.592 . 0 0 "[ . 1 . 2]" 1
1558 1 76 VAL MG1 1 77 LEU H . . 4.460 3.803 3.129 4.271 . 0 0 "[ . 1 . 2]" 1
1559 1 76 VAL MG2 1 77 LEU H . . 4.460 3.659 2.547 4.289 . 0 0 "[ . 1 . 2]" 1
1560 1 77 LEU H 1 77 LEU HB2 . . 4.120 2.588 2.433 2.738 . 0 0 "[ . 1 . 2]" 1
1561 1 77 LEU H 1 77 LEU HB3 . . 4.120 3.594 3.567 3.675 . 0 0 "[ . 1 . 2]" 1
1562 1 77 LEU H 1 77 LEU MD1 . . 3.730 3.501 3.273 3.733 0.003 19 0 "[ . 1 . 2]" 1
1563 1 77 LEU H 1 77 LEU MD2 . . 3.730 3.264 2.928 3.650 . 0 0 "[ . 1 . 2]" 1
1564 1 77 LEU H 1 77 LEU HG . . 3.680 2.122 1.866 2.358 . 0 0 "[ . 1 . 2]" 1
1565 1 77 LEU H 1 78 VAL H . . 3.670 2.817 2.223 3.277 . 0 0 "[ . 1 . 2]" 1
1566 1 77 LEU HA 1 77 LEU QD . . 2.890 2.151 1.967 2.405 . 0 0 "[ . 1 . 2]" 1
1567 1 77 LEU HA 1 77 LEU HG . . 3.800 3.112 2.923 3.272 . 0 0 "[ . 1 . 2]" 1
1568 1 77 LEU HA 1 78 VAL MG2 . . 4.590 3.885 3.724 4.137 . 0 0 "[ . 1 . 2]" 1
1569 1 77 LEU QB 1 77 LEU QD . . 2.760 1.901 1.858 1.941 . 0 0 "[ . 1 . 2]" 1
1570 1 77 LEU QB 1 78 VAL H . . 3.740 2.294 1.915 2.567 . 0 0 "[ . 1 . 2]" 1
1571 1 77 LEU HB2 1 78 VAL H . . 4.330 2.330 1.939 2.625 . 0 0 "[ . 1 . 2]" 1
1572 1 77 LEU HB2 1 78 VAL MG2 . . 4.010 3.231 2.941 3.538 . 0 0 "[ . 1 . 2]" 1
1573 1 77 LEU HB3 1 78 VAL H . . 4.330 3.468 2.979 3.803 . 0 0 "[ . 1 . 2]" 1
1574 1 77 LEU HB3 1 78 VAL MG2 . . 4.010 2.944 2.645 3.329 . 0 0 "[ . 1 . 2]" 1
1575 1 77 LEU QD 1 78 VAL H . . 4.050 3.863 3.611 4.050 . 0 0 "[ . 1 . 2]" 1
1576 1 77 LEU MD1 1 78 VAL H . . 4.880 4.157 3.820 4.427 . 0 0 "[ . 1 . 2]" 1
1577 1 77 LEU MD2 1 78 VAL H . . 4.880 4.604 4.449 4.772 . 0 0 "[ . 1 . 2]" 1
1578 1 77 LEU HG 1 78 VAL H . . 5.000 4.147 3.801 4.414 . 0 0 "[ . 1 . 2]" 1
1579 1 78 VAL H 1 78 VAL HB . . 4.010 2.808 2.615 2.935 . 0 0 "[ . 1 . 2]" 1
1580 1 78 VAL H 1 78 VAL MG1 . . 3.930 3.888 3.785 3.929 . 0 0 "[ . 1 . 2]" 1
1581 1 78 VAL H 1 78 VAL MG2 . . 3.900 3.051 2.856 3.289 . 0 0 "[ . 1 . 2]" 1
1582 1 78 VAL H 1 79 GLU H . . 4.510 4.308 4.173 4.458 . 0 0 "[ . 1 . 2]" 1
1583 1 78 VAL HA 1 78 VAL MG1 . . 3.300 2.444 2.377 2.495 . 0 0 "[ . 1 . 2]" 1
1584 1 78 VAL HA 1 78 VAL MG2 . . 3.580 2.342 2.231 2.418 . 0 0 "[ . 1 . 2]" 1
1585 1 78 VAL HA 1 79 GLU H . . 2.880 2.208 2.146 2.337 . 0 0 "[ . 1 . 2]" 1
1586 1 78 VAL HB 1 79 GLU H . . 4.740 4.047 3.775 4.247 . 0 0 "[ . 1 . 2]" 1
1587 1 78 VAL HB 1 113 PHE HZ . . 4.810 3.392 2.979 3.670 . 0 0 "[ . 1 . 2]" 1
1588 1 78 VAL MG1 1 79 GLU H . . 3.340 2.212 1.881 2.544 . 0 0 "[ . 1 . 2]" 1
1589 1 78 VAL MG1 1 80 CYS H . . 4.220 3.295 2.960 3.564 . 0 0 "[ . 1 . 2]" 1
1590 1 78 VAL MG1 1 80 CYS HB2 . . 3.910 2.924 2.738 3.082 . 0 0 "[ . 1 . 2]" 1
1591 1 78 VAL MG1 1 80 CYS HB3 . . 4.190 3.898 3.569 4.134 . 0 0 "[ . 1 . 2]" 1
1592 1 78 VAL MG1 1 99 PHE QE . . 3.880 3.736 3.512 3.883 0.003 13 0 "[ . 1 . 2]" 1
1593 1 78 VAL MG1 1 99 PHE HZ . . 3.550 3.069 2.522 3.345 . 0 0 "[ . 1 . 2]" 1
1594 1 78 VAL MG1 1 101 MET ME . . 3.370 3.089 2.817 3.365 . 0 0 "[ . 1 . 2]" 1
1595 1 78 VAL MG1 1 111 HIS HD2 . . 4.340 3.191 2.670 3.621 . 0 0 "[ . 1 . 2]" 1
1596 1 78 VAL MG1 1 111 HIS HE1 . . 4.300 2.945 2.271 3.714 . 0 0 "[ . 1 . 2]" 1
1597 1 78 VAL MG1 1 113 PHE HZ . . 3.990 3.568 3.021 3.939 . 0 0 "[ . 1 . 2]" 1
1598 1 78 VAL MG2 1 79 GLU H . . 4.060 3.881 3.580 4.035 . 0 0 "[ . 1 . 2]" 1
1599 1 78 VAL MG2 1 99 PHE QE . . 5.500 5.350 5.000 5.501 0.001 20 0 "[ . 1 . 2]" 1
1600 1 78 VAL MG2 1 101 MET ME . . 5.010 4.935 4.661 5.009 . 0 0 "[ . 1 . 2]" 1
1601 1 78 VAL MG2 1 111 HIS HE1 . . 4.040 2.424 1.863 3.044 . 0 0 "[ . 1 . 2]" 1
1602 1 78 VAL MG2 1 113 PHE HZ . . 3.990 3.300 2.840 3.656 . 0 0 "[ . 1 . 2]" 1
1603 1 79 GLU H 1 79 GLU HB2 . . 3.670 2.879 2.623 3.172 . 0 0 "[ . 1 . 2]" 1
1604 1 79 GLU H 1 79 GLU HB3 . . 3.560 2.755 2.606 2.984 . 0 0 "[ . 1 . 2]" 1
1605 1 79 GLU H 1 79 GLU HG2 . . 5.000 4.576 4.446 4.775 . 0 0 "[ . 1 . 2]" 1
1606 1 79 GLU H 1 79 GLU QG . . 4.370 4.091 4.053 4.165 . 0 0 "[ . 1 . 2]" 1
1607 1 79 GLU H 1 79 GLU HG3 . . 5.000 4.619 4.488 4.814 . 0 0 "[ . 1 . 2]" 1
1608 1 79 GLU H 1 80 CYS H . . 4.360 3.982 3.799 4.147 . 0 0 "[ . 1 . 2]" 1
1609 1 79 GLU H 1 101 MET ME . . 4.270 3.875 3.488 4.260 . 0 0 "[ . 1 . 2]" 1
1610 1 79 GLU HB2 1 80 CYS H . . 4.620 4.563 4.511 4.622 0.002 20 0 "[ . 1 . 2]" 1
1611 1 79 GLU HB3 1 80 CYS H . . 4.570 4.366 4.225 4.449 . 0 0 "[ . 1 . 2]" 1
1612 1 79 GLU QG 1 80 CYS H . . 3.650 3.484 3.376 3.611 . 0 0 "[ . 1 . 2]" 1
1613 1 79 GLU HG2 1 80 CYS H . . 4.280 3.920 3.643 4.223 . 0 0 "[ . 1 . 2]" 1
1614 1 79 GLU HG3 1 80 CYS H . . 4.280 3.956 3.597 4.225 . 0 0 "[ . 1 . 2]" 1
1615 1 80 CYS H 1 80 CYS HB2 . . 3.870 2.925 2.811 3.149 . 0 0 "[ . 1 . 2]" 1
1616 1 80 CYS H 1 80 CYS HB3 . . 3.810 2.554 2.423 2.661 . 0 0 "[ . 1 . 2]" 1
1617 1 80 CYS H 1 80 CYS HG . . 4.980 4.821 4.683 4.903 . 0 0 "[ . 1 . 2]" 1
1618 1 80 CYS HA 1 81 ARG H . . 3.160 2.247 2.180 2.262 . 0 0 "[ . 1 . 2]" 1
1619 1 80 CYS HA 1 101 MET ME . . 3.320 2.189 1.905 2.613 . 0 0 "[ . 1 . 2]" 1
1620 1 80 CYS HB2 1 81 ARG H . . 4.510 4.013 3.880 4.193 . 0 0 "[ . 1 . 2]" 1
1621 1 80 CYS HB2 1 99 PHE QE . . 4.670 2.629 2.195 2.935 . 0 0 "[ . 1 . 2]" 1
1622 1 80 CYS HB2 1 99 PHE HZ . . 4.810 2.861 2.265 3.344 . 0 0 "[ . 1 . 2]" 1
1623 1 80 CYS HB3 1 81 ARG H . . 4.510 3.914 3.806 4.067 . 0 0 "[ . 1 . 2]" 1
1624 1 80 CYS HB3 1 99 PHE QE . . 5.000 3.476 3.167 3.812 . 0 0 "[ . 1 . 2]" 1
1625 1 80 CYS HG 1 81 ARG H . . 4.150 2.043 1.902 2.614 . 0 0 "[ . 1 . 2]" 1
1626 1 80 CYS HG 1 82 VAL HA . . 4.970 4.454 3.958 4.964 . 0 0 "[ . 1 . 2]" 1
1627 1 80 CYS HG 1 84 PHE H . . 5.090 4.677 4.347 5.068 . 0 0 "[ . 1 . 2]" 1
1628 1 80 CYS HG 1 101 MET ME . . 4.120 3.616 2.891 4.109 . 0 0 "[ . 1 . 2]" 1
1629 1 81 ARG H 1 81 ARG HB2 . . 3.700 2.548 2.410 2.865 . 0 0 "[ . 1 . 2]" 1
1630 1 81 ARG H 1 81 ARG QB . . 3.220 2.475 2.374 2.609 . 0 0 "[ . 1 . 2]" 1
1631 1 81 ARG H 1 81 ARG HB3 . . 3.700 3.532 2.908 3.717 0.017 14 0 "[ . 1 . 2]" 1
1632 1 81 ARG H 1 81 ARG HD2 . . 5.500 4.553 3.097 5.496 . 0 0 "[ . 1 . 2]" 1
1633 1 81 ARG H 1 81 ARG HD3 . . 5.500 4.577 2.764 5.504 0.004 9 0 "[ . 1 . 2]" 1
1634 1 81 ARG H 1 81 ARG HG2 . . 5.400 4.548 4.153 4.765 . 0 0 "[ . 1 . 2]" 1
1635 1 81 ARG H 1 81 ARG QG . . 4.670 3.647 3.192 4.141 . 0 0 "[ . 1 . 2]" 1
1636 1 81 ARG H 1 81 ARG HG3 . . 5.400 3.872 3.303 4.689 . 0 0 "[ . 1 . 2]" 1
1637 1 81 ARG H 1 82 VAL H . . 4.670 4.313 4.185 4.452 . 0 0 "[ . 1 . 2]" 1
1638 1 81 ARG H 1 84 PHE QD . . 4.380 3.521 2.325 4.354 . 0 0 "[ . 1 . 2]" 1
1639 1 81 ARG H 1 101 MET ME . . 3.710 3.328 2.946 3.703 . 0 0 "[ . 1 . 2]" 1
1640 1 81 ARG QB 1 81 ARG QD . . 3.310 2.110 2.030 2.236 . 0 0 "[ . 1 . 2]" 1
1641 1 81 ARG QB 1 82 VAL H . . 4.040 3.320 2.988 3.765 . 0 0 "[ . 1 . 2]" 1
1642 1 81 ARG QB 1 83 ARG H . . 3.980 2.979 2.360 3.873 . 0 0 "[ . 1 . 2]" 1
1643 1 81 ARG QB 1 84 PHE H . . 4.550 2.730 2.115 3.133 . 0 0 "[ . 1 . 2]" 1
1644 1 81 ARG HB2 1 84 PHE QD . . 4.540 2.335 1.999 3.596 . 0 0 "[ . 1 . 2]" 1
1645 1 81 ARG HB2 1 84 PHE QE . . 4.800 3.692 3.006 4.371 . 0 0 "[ . 1 . 2]" 1
1646 1 81 ARG HB3 1 84 PHE QD . . 4.540 2.932 2.066 4.015 . 0 0 "[ . 1 . 2]" 1
1647 1 81 ARG HB3 1 84 PHE QE . . 4.800 4.266 3.645 4.795 . 0 0 "[ . 1 . 2]" 1
1648 1 81 ARG QG 1 82 VAL H . . 4.420 3.631 2.567 3.965 . 0 0 "[ . 1 . 2]" 1
1649 1 81 ARG QG 1 84 PHE QD . . 4.810 3.899 3.040 4.394 . 0 0 "[ . 1 . 2]" 1
1650 1 81 ARG HG2 1 84 PHE QD . . 5.490 4.404 3.099 5.221 . 0 0 "[ . 1 . 2]" 1
1651 1 81 ARG HG3 1 84 PHE QD . . 5.490 4.518 3.708 5.214 . 0 0 "[ . 1 . 2]" 1
1652 1 82 VAL H 1 82 VAL HB . . 3.690 2.833 2.620 3.643 . 0 0 "[ . 1 . 2]" 1
1653 1 82 VAL H 1 82 VAL MG1 . . 3.880 3.584 2.469 3.788 . 0 0 "[ . 1 . 2]" 1
1654 1 82 VAL H 1 82 VAL MG2 . . 3.140 1.983 1.873 2.270 . 0 0 "[ . 1 . 2]" 1
1655 1 82 VAL H 1 83 ARG H . . 3.760 3.030 2.635 3.236 . 0 0 "[ . 1 . 2]" 1
1656 1 82 VAL HA 1 82 VAL MG1 . . 3.480 2.343 2.064 2.486 . 0 0 "[ . 1 . 2]" 1
1657 1 82 VAL HA 1 82 VAL MG2 . . 3.490 2.488 2.195 3.190 . 0 0 "[ . 1 . 2]" 1
1658 1 82 VAL HA 1 84 PHE H . . 4.550 4.291 3.487 4.572 0.022 16 0 "[ . 1 . 2]" 1
1659 1 82 VAL HA 1 85 LEU H . . 3.900 3.251 2.864 3.456 . 0 0 "[ . 1 . 2]" 1
1660 1 82 VAL HA 1 85 LEU HB2 . . 4.060 2.289 2.002 2.552 . 0 0 "[ . 1 . 2]" 1
1661 1 82 VAL HA 1 85 LEU HB3 . . 4.060 3.197 2.776 3.580 . 0 0 "[ . 1 . 2]" 1
1662 1 82 VAL HA 1 85 LEU MD1 . . 4.020 2.707 2.335 3.051 . 0 0 "[ . 1 . 2]" 1
1663 1 82 VAL HA 1 85 LEU MD2 . . 4.870 4.586 4.336 4.823 . 0 0 "[ . 1 . 2]" 1
1664 1 82 VAL HB 1 83 ARG H . . 4.070 2.603 2.117 3.519 . 0 0 "[ . 1 . 2]" 1
1665 1 82 VAL HB 1 130 CYS HA . . 4.410 3.897 2.187 4.398 . 0 0 "[ . 1 . 2]" 1
1666 1 82 VAL MG1 1 85 LEU MD1 . . 3.870 3.190 2.574 3.751 . 0 0 "[ . 1 . 2]" 1
1667 1 82 VAL MG1 1 129 ALA MB . . 3.450 2.831 1.963 3.315 . 0 0 "[ . 1 . 2]" 1
1668 1 82 VAL MG1 1 130 CYS H . . 4.240 3.140 2.674 3.627 . 0 0 "[ . 1 . 2]" 1
1669 1 82 VAL MG1 1 130 CYS HA . . 3.300 2.042 1.874 2.491 . 0 0 "[ . 1 . 2]" 1
1670 1 82 VAL MG1 1 130 CYS QB . . 4.340 3.196 1.849 3.796 . 0 0 "[ . 1 . 2]" 1
1671 1 82 VAL MG1 1 130 CYS HG . . 4.110 2.749 1.960 3.447 . 0 0 "[ . 1 . 2]" 1
1672 1 82 VAL MG1 1 131 SER H . . 4.950 4.794 4.477 4.950 . 9 0 "[ . 1 . 2]" 1
1673 1 82 VAL MG1 1 174 ASN HD21 . . 4.510 4.018 2.953 4.503 . 0 0 "[ . 1 . 2]" 1
1674 1 82 VAL MG1 1 174 ASN HD22 . . 4.230 3.088 1.893 4.080 . 0 0 "[ . 1 . 2]" 1
1675 1 82 VAL MG2 1 83 ARG H . . 3.850 3.498 1.879 3.862 0.012 10 0 "[ . 1 . 2]" 1
1676 1 83 ARG H 1 83 ARG HB2 . . 3.800 2.714 2.329 3.600 . 0 0 "[ . 1 . 2]" 1
1677 1 83 ARG H 1 83 ARG QB . . 3.150 2.513 2.300 2.693 . 0 0 "[ . 1 . 2]" 1
1678 1 83 ARG H 1 83 ARG HB3 . . 3.800 3.448 2.447 3.617 . 0 0 "[ . 1 . 2]" 1
1679 1 83 ARG H 1 83 ARG HD2 . . 4.760 4.048 1.896 4.626 . 0 0 "[ . 1 . 2]" 1
1680 1 83 ARG H 1 83 ARG HD3 . . 4.760 4.043 2.380 4.765 0.005 6 0 "[ . 1 . 2]" 1
1681 1 83 ARG H 1 83 ARG HG2 . . 3.830 2.763 1.888 3.799 . 0 0 "[ . 1 . 2]" 1
1682 1 83 ARG H 1 83 ARG QG . . 3.340 2.133 1.861 2.828 . 0 0 "[ . 1 . 2]" 1
1683 1 83 ARG H 1 83 ARG HG3 . . 3.830 2.816 2.024 3.782 . 0 0 "[ . 1 . 2]" 1
1684 1 83 ARG H 1 84 PHE H . . 3.630 2.832 2.455 3.155 . 0 0 "[ . 1 . 2]" 1
1685 1 83 ARG HA 1 83 ARG HD2 . . 5.140 4.026 2.014 5.067 . 0 0 "[ . 1 . 2]" 1
1686 1 83 ARG HA 1 83 ARG QD . . 4.360 3.501 2.005 4.261 . 0 0 "[ . 1 . 2]" 1
1687 1 83 ARG HA 1 83 ARG HD3 . . 5.140 4.044 2.396 4.893 . 0 0 "[ . 1 . 2]" 1
1688 1 83 ARG HA 1 174 ASN HD22 . . 4.660 2.664 1.985 3.834 . 0 0 "[ . 1 . 2]" 1
1689 1 83 ARG QB 1 83 ARG QD . . 3.300 2.202 2.046 2.688 . 0 0 "[ . 1 . 2]" 1
1690 1 83 ARG QB 1 84 PHE H . . 3.970 2.679 2.234 3.867 . 0 0 "[ . 1 . 2]" 1
1691 1 83 ARG HB2 1 84 PHE H . . 4.560 2.777 2.278 4.238 . 0 0 "[ . 1 . 2]" 1
1692 1 83 ARG HB3 1 84 PHE H . . 4.560 3.668 3.230 4.465 . 0 0 "[ . 1 . 2]" 1
1693 1 83 ARG QG 1 84 PHE H . . 4.190 3.804 1.936 4.253 0.063 16 0 "[ . 1 . 2]" 1
1694 1 84 PHE H 1 84 PHE HB2 . . 3.880 2.322 2.206 2.526 . 0 0 "[ . 1 . 2]" 1
1695 1 84 PHE H 1 84 PHE QB . . 3.330 2.293 2.184 2.482 . 0 0 "[ . 1 . 2]" 1
1696 1 84 PHE H 1 84 PHE HB3 . . 3.880 3.565 3.508 3.646 . 0 0 "[ . 1 . 2]" 1
1697 1 84 PHE H 1 84 PHE QD . . 4.000 2.760 1.916 3.384 . 0 0 "[ . 1 . 2]" 1
1698 1 84 PHE H 1 85 LEU H . . 3.250 2.461 1.823 2.641 . 0 0 "[ . 1 . 2]" 1
1699 1 84 PHE H 1 85 LEU QB . . 4.400 4.118 3.520 4.269 . 0 0 "[ . 1 . 2]" 1
1700 1 84 PHE HA 1 84 PHE QD . . 4.220 2.576 1.999 3.103 . 0 0 "[ . 1 . 2]" 1
1701 1 84 PHE HA 1 177 TYR QD . . 4.170 3.199 2.228 3.844 . 0 0 "[ . 1 . 2]" 1
1702 1 84 PHE HA 1 177 TYR QE . . 4.250 3.593 2.025 4.189 . 0 0 "[ . 1 . 2]" 1
1703 1 84 PHE QB 1 85 LEU H . . 3.280 2.816 2.585 3.171 . 0 0 "[ . 1 . 2]" 1
1704 1 84 PHE QB 1 102 ASP H . . 3.720 2.325 1.889 2.636 . 0 0 "[ . 1 . 2]" 1
1705 1 84 PHE HB2 1 85 LEU H . . 4.150 2.929 2.674 3.359 . 0 0 "[ . 1 . 2]" 1
1706 1 84 PHE HB2 1 102 ASP H . . 4.360 3.823 3.262 4.194 . 0 0 "[ . 1 . 2]" 1
1707 1 84 PHE HB3 1 85 LEU H . . 4.150 3.662 3.368 4.137 . 0 0 "[ . 1 . 2]" 1
1708 1 84 PHE HB3 1 102 ASP H . . 4.360 2.346 1.900 2.665 . 0 0 "[ . 1 . 2]" 1
1709 1 84 PHE QD 1 101 MET ME . . 4.890 4.114 3.074 4.883 . 0 0 "[ . 1 . 2]" 1
1710 1 85 LEU H 1 85 LEU HB2 . . 3.660 2.172 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
1711 1 85 LEU H 1 85 LEU HB3 . . 3.660 2.949 2.819 3.053 . 0 0 "[ . 1 . 2]" 1
1712 1 85 LEU H 1 85 LEU MD1 . . 4.190 4.036 3.938 4.137 . 0 0 "[ . 1 . 2]" 1
1713 1 85 LEU H 1 85 LEU MD2 . . 4.390 4.313 4.262 4.391 0.001 6 0 "[ . 1 . 2]" 1
1714 1 85 LEU H 1 85 LEU HG . . 4.900 4.137 4.045 4.261 . 0 0 "[ . 1 . 2]" 1
1715 1 85 LEU H 1 86 SER H . . 4.880 4.433 4.280 4.596 . 0 0 "[ . 1 . 2]" 1
1716 1 85 LEU H 1 101 MET HA . . 4.850 4.370 4.087 4.686 . 0 0 "[ . 1 . 2]" 1
1717 1 85 LEU H 1 101 MET HB2 . . 4.890 4.454 3.997 4.802 . 0 0 "[ . 1 . 2]" 1
1718 1 85 LEU H 1 174 ASN HB2 . . 5.500 5.445 5.203 5.509 0.009 10 0 "[ . 1 . 2]" 1
1719 1 85 LEU H 1 174 ASN HD21 . . 4.150 3.768 3.202 4.148 . 0 0 "[ . 1 . 2]" 1
1720 1 85 LEU H 1 174 ASN HD22 . . 4.500 4.167 3.694 4.500 . 0 0 "[ . 1 . 2]" 1
1721 1 85 LEU HA 1 86 SER H . . 3.550 2.151 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
1722 1 85 LEU HA 1 87 PHE H . . 4.410 4.013 3.712 4.306 . 0 0 "[ . 1 . 2]" 1
1723 1 85 LEU QB 1 86 SER H . . 4.110 3.787 3.525 3.918 . 0 0 "[ . 1 . 2]" 1
1724 1 85 LEU QB 1 174 ASN HD21 . . 4.760 2.816 1.891 3.620 . 0 0 "[ . 1 . 2]" 1
1725 1 85 LEU QB 1 174 ASN HD22 . . 4.660 3.439 2.973 3.838 . 0 0 "[ . 1 . 2]" 1
1726 1 85 LEU HB2 1 85 LEU MD1 . . 3.520 2.188 2.043 2.308 . 0 0 "[ . 1 . 2]" 1
1727 1 85 LEU HB2 1 86 SER H . . 4.740 4.490 4.298 4.592 . 0 0 "[ . 1 . 2]" 1
1728 1 85 LEU HB3 1 85 LEU MD1 . . 3.520 2.499 2.381 2.614 . 0 0 "[ . 1 . 2]" 1
1729 1 85 LEU HB3 1 86 SER H . . 4.740 4.081 3.745 4.250 . 0 0 "[ . 1 . 2]" 1
1730 1 85 LEU MD1 1 88 MET ME . . 3.580 2.072 1.754 2.665 . 0 0 "[ . 1 . 2]" 1
1731 1 85 LEU MD1 1 88 MET QG . . 4.140 3.653 3.487 3.969 . 0 0 "[ . 1 . 2]" 1
1732 1 85 LEU MD1 1 97 PHE HZ . . 4.720 4.089 3.737 4.639 . 0 0 "[ . 1 . 2]" 1
1733 1 85 LEU MD1 1 99 PHE HB2 . . 3.940 2.721 2.078 3.210 . 0 0 "[ . 1 . 2]" 1
1734 1 85 LEU MD1 1 99 PHE HB3 . . 4.040 3.494 2.700 3.871 . 0 0 "[ . 1 . 2]" 1
1735 1 85 LEU MD1 1 99 PHE QD . . 3.920 3.597 3.170 3.920 . 0 0 "[ . 1 . 2]" 1
1736 1 85 LEU MD1 1 99 PHE QE . . 5.260 4.610 4.276 4.961 . 0 0 "[ . 1 . 2]" 1
1737 1 85 LEU MD1 1 100 ILE H . . 5.170 4.681 4.047 5.031 . 0 0 "[ . 1 . 2]" 1
1738 1 85 LEU MD1 1 126 VAL MG2 . . 3.240 2.315 1.921 2.718 . 0 0 "[ . 1 . 2]" 1
1739 1 85 LEU MD1 1 130 CYS HG . . 4.410 3.979 3.316 4.383 . 0 0 "[ . 1 . 2]" 1
1740 1 85 LEU MD2 1 86 SER H . . 3.990 2.840 2.327 3.252 . 0 0 "[ . 1 . 2]" 1
1741 1 85 LEU MD2 1 87 PHE H . . 3.460 2.425 2.003 2.811 . 0 0 "[ . 1 . 2]" 1
1742 1 85 LEU MD2 1 87 PHE HA . . 4.230 2.914 2.752 3.048 . 0 0 "[ . 1 . 2]" 1
1743 1 85 LEU MD2 1 87 PHE HB3 . . 5.180 4.398 4.138 4.663 . 0 0 "[ . 1 . 2]" 1
1744 1 85 LEU MD2 1 88 MET H . . 4.170 3.047 2.710 3.294 . 0 0 "[ . 1 . 2]" 1
1745 1 85 LEU MD2 1 88 MET QB . . 3.570 2.000 1.862 2.182 . 0 0 "[ . 1 . 2]" 1
1746 1 85 LEU MD2 1 88 MET ME . . 3.070 2.285 1.942 2.571 . 0 0 "[ . 1 . 2]" 1
1747 1 85 LEU MD2 1 88 MET QG . . 4.730 2.981 2.713 3.481 . 0 0 "[ . 1 . 2]" 1
1748 1 85 LEU MD2 1 99 PHE HB2 . . 3.680 2.844 2.378 3.017 . 0 0 "[ . 1 . 2]" 1
1749 1 85 LEU MD2 1 99 PHE HB3 . . 4.250 4.105 3.677 4.249 . 0 0 "[ . 1 . 2]" 1
1750 1 85 LEU MD2 1 99 PHE QD . . 4.050 3.942 3.685 4.042 . 0 0 "[ . 1 . 2]" 1
1751 1 85 LEU MD2 1 100 ILE H . . 4.120 3.026 2.514 3.315 . 0 0 "[ . 1 . 2]" 1
1752 1 85 LEU MD2 1 174 ASN H . . 4.580 3.579 3.252 4.040 . 0 0 "[ . 1 . 2]" 1
1753 1 85 LEU MD2 1 174 ASN HB2 . . 4.120 2.824 2.519 3.226 . 0 0 "[ . 1 . 2]" 1
1754 1 85 LEU MD2 1 174 ASN HD21 . . 4.410 3.919 3.164 4.405 . 0 0 "[ . 1 . 2]" 1
1755 1 85 LEU HG 1 86 SER H . . 4.250 3.642 3.024 4.075 . 0 0 "[ . 1 . 2]" 1
1756 1 85 LEU HG 1 99 PHE HB2 . . 4.430 2.879 2.312 3.321 . 0 0 "[ . 1 . 2]" 1
1757 1 85 LEU HG 1 99 PHE QD . . 4.120 3.091 2.884 3.281 . 0 0 "[ . 1 . 2]" 1
1758 1 86 SER H 1 86 SER QB . . 3.690 2.514 2.204 2.810 . 0 0 "[ . 1 . 2]" 1
1759 1 86 SER H 1 86 SER HG . . 4.300 3.593 2.831 4.274 . 0 0 "[ . 1 . 2]" 1
1760 1 86 SER H 1 87 PHE H . . 3.350 2.444 2.166 2.760 . 0 0 "[ . 1 . 2]" 1
1761 1 86 SER H 1 87 PHE HB3 . . 5.500 5.202 4.950 5.491 . 0 0 "[ . 1 . 2]" 1
1762 1 86 SER H 1 100 ILE H . . 4.860 4.651 4.365 4.834 . 0 0 "[ . 1 . 2]" 1
1763 1 86 SER H 1 100 ILE MG . . 4.540 3.738 3.423 4.287 . 0 0 "[ . 1 . 2]" 1
1764 1 86 SER H 1 101 MET HA . . 3.940 2.506 2.191 3.016 . 0 0 "[ . 1 . 2]" 1
1765 1 86 SER H 1 101 MET HB3 . . 5.080 4.683 4.273 5.052 . 0 0 "[ . 1 . 2]" 1
1766 1 86 SER H 1 102 ASP H . . 4.290 4.016 3.680 4.271 . 0 0 "[ . 1 . 2]" 1
1767 1 86 SER H 1 108 PHE HB3 . . 5.500 5.482 5.428 5.506 0.006 5 0 "[ . 1 . 2]" 1
1768 1 86 SER H 1 174 ASN HB2 . . 5.440 4.867 4.549 5.323 . 0 0 "[ . 1 . 2]" 1
1769 1 86 SER H 1 177 TYR QB . . 5.340 5.018 4.493 5.330 . 0 0 "[ . 1 . 2]" 1
1770 1 86 SER HA 1 174 ASN H . . 4.770 4.309 4.032 4.683 . 0 0 "[ . 1 . 2]" 1
1771 1 86 SER HA 1 174 ASN HB2 . . 4.520 3.693 3.350 4.519 . 0 0 "[ . 1 . 2]" 1
1772 1 86 SER HA 1 177 TYR H . . 5.390 5.047 4.569 5.341 . 0 0 "[ . 1 . 2]" 1
1773 1 86 SER HA 1 177 TYR HB2 . . 4.640 3.618 2.731 4.604 . 0 0 "[ . 1 . 2]" 1
1774 1 86 SER HA 1 177 TYR QB . . 3.980 2.788 2.186 3.172 . 0 0 "[ . 1 . 2]" 1
1775 1 86 SER HA 1 177 TYR HB3 . . 4.640 2.972 2.203 3.677 . 0 0 "[ . 1 . 2]" 1
1776 1 86 SER HA 1 177 TYR QD . . 4.540 3.373 2.327 4.030 . 0 0 "[ . 1 . 2]" 1
1777 1 86 SER QB 1 87 PHE H . . 4.070 3.062 2.217 3.442 . 0 0 "[ . 1 . 2]" 1
1778 1 86 SER HB2 1 87 PHE H . . 4.670 3.689 3.360 3.960 . 0 0 "[ . 1 . 2]" 1
1779 1 86 SER HB3 1 87 PHE H . . 4.670 3.428 2.235 3.976 . 0 0 "[ . 1 . 2]" 1
1780 1 86 SER HG 1 87 PHE H . . 3.870 2.700 1.992 3.475 . 0 0 "[ . 1 . 2]" 1
1781 1 86 SER HG 1 100 ILE HB . . 4.490 3.085 2.444 4.302 . 0 0 "[ . 1 . 2]" 1
1782 1 86 SER HG 1 100 ILE MD . . 4.510 3.726 3.151 4.425 . 0 0 "[ . 1 . 2]" 1
1783 1 86 SER HG 1 100 ILE MG . . 3.760 2.807 1.983 3.689 . 0 0 "[ . 1 . 2]" 1
1784 1 87 PHE H 1 87 PHE HB2 . . 3.930 3.483 3.344 3.589 . 0 0 "[ . 1 . 2]" 1
1785 1 87 PHE H 1 87 PHE HB3 . . 3.950 2.923 2.839 3.022 . 0 0 "[ . 1 . 2]" 1
1786 1 87 PHE H 1 87 PHE QD . . 4.990 4.363 4.091 4.472 . 0 0 "[ . 1 . 2]" 1
1787 1 87 PHE H 1 99 PHE HB2 . . 5.500 5.097 4.816 5.345 . 0 0 "[ . 1 . 2]" 1
1788 1 87 PHE H 1 100 ILE H . . 3.840 3.363 3.188 3.509 . 0 0 "[ . 1 . 2]" 1
1789 1 87 PHE H 1 100 ILE HB . . 3.800 2.566 2.083 2.897 . 0 0 "[ . 1 . 2]" 1
1790 1 87 PHE H 1 100 ILE MD . . 4.210 3.942 3.601 4.185 . 0 0 "[ . 1 . 2]" 1
1791 1 87 PHE H 1 100 ILE MG . . 4.210 3.557 3.136 3.928 . 0 0 "[ . 1 . 2]" 1
1792 1 87 PHE H 1 174 ASN H . . 5.500 4.806 4.470 5.336 . 0 0 "[ . 1 . 2]" 1
1793 1 87 PHE H 1 174 ASN HB2 . . 5.500 4.818 4.545 5.348 . 0 0 "[ . 1 . 2]" 1
1794 1 87 PHE HA 1 88 MET H . . 3.240 2.197 2.152 2.269 . 0 0 "[ . 1 . 2]" 1
1795 1 87 PHE HA 1 88 MET ME . . 4.750 4.514 4.157 4.751 0.001 20 0 "[ . 1 . 2]" 1
1796 1 87 PHE HA 1 172 TYR H . . 5.210 4.931 4.628 5.205 . 0 0 "[ . 1 . 2]" 1
1797 1 87 PHE HA 1 173 GLU HA . . 4.220 2.664 2.083 3.064 . 0 0 "[ . 1 . 2]" 1
1798 1 87 PHE HA 1 174 ASN H . . 4.190 2.892 2.393 3.321 . 0 0 "[ . 1 . 2]" 1
1799 1 87 PHE HB2 1 88 MET H . . 5.190 4.047 3.889 4.227 . 0 0 "[ . 1 . 2]" 1
1800 1 87 PHE HB2 1 100 ILE HB . . 4.610 4.504 4.112 4.634 0.024 17 0 "[ . 1 . 2]" 1
1801 1 87 PHE HB2 1 100 ILE MD . . 4.260 4.029 3.361 4.234 . 0 0 "[ . 1 . 2]" 1
1802 1 87 PHE HB3 1 88 MET H . . 4.340 4.119 3.959 4.271 . 0 0 "[ . 1 . 2]" 1
1803 1 87 PHE HB3 1 100 ILE H . . 4.820 4.373 4.075 4.679 . 0 0 "[ . 1 . 2]" 1
1804 1 87 PHE HB3 1 100 ILE HB . . 4.830 2.992 2.809 3.109 . 0 0 "[ . 1 . 2]" 1
1805 1 87 PHE HB3 1 100 ILE MD . . 4.340 2.507 1.990 2.768 . 0 0 "[ . 1 . 2]" 1
1806 1 87 PHE QD 1 100 ILE H . . 4.830 4.442 3.612 4.735 . 0 0 "[ . 1 . 2]" 1
1807 1 87 PHE QD 1 100 ILE MD . . 4.430 2.178 1.941 2.531 . 0 0 "[ . 1 . 2]" 1
1808 1 87 PHE QD 1 173 GLU HB2 . . 5.080 4.108 2.920 4.767 . 0 0 "[ . 1 . 2]" 1
1809 1 87 PHE QD 1 173 GLU QB . . 4.430 3.350 1.966 3.697 . 0 0 "[ . 1 . 2]" 1
1810 1 87 PHE QD 1 173 GLU HB3 . . 5.080 3.609 1.984 4.061 . 0 0 "[ . 1 . 2]" 1
1811 1 87 PHE QD 1 173 GLU HG2 . . 4.550 2.942 2.006 4.101 . 0 0 "[ . 1 . 2]" 1
1812 1 87 PHE QD 1 173 GLU QG . . 3.970 2.075 1.819 3.594 . 0 0 "[ . 1 . 2]" 1
1813 1 87 PHE QD 1 173 GLU HG3 . . 4.550 2.264 1.998 3.975 . 0 0 "[ . 1 . 2]" 1
1814 1 87 PHE QE 1 171 GLY HA2 . . 4.830 4.135 3.698 4.622 . 0 0 "[ . 1 . 2]" 1
1815 1 87 PHE QE 1 171 GLY QA . . 4.200 2.665 2.261 3.311 . 0 0 "[ . 1 . 2]" 1
1816 1 87 PHE QE 1 171 GLY HA3 . . 4.830 2.700 2.281 3.392 . 0 0 "[ . 1 . 2]" 1
1817 1 87 PHE QE 1 172 TYR H . . 4.360 2.851 2.094 3.898 . 0 0 "[ . 1 . 2]" 1
1818 1 87 PHE QE 1 173 GLU HB2 . . 5.500 4.989 3.639 5.460 . 0 0 "[ . 1 . 2]" 1
1819 1 87 PHE QE 1 173 GLU QB . . 4.840 4.449 3.291 4.833 . 0 0 "[ . 1 . 2]" 1
1820 1 87 PHE QE 1 173 GLU HB3 . . 5.500 5.112 3.339 5.420 . 0 0 "[ . 1 . 2]" 1
1821 1 87 PHE QE 1 173 GLU HG2 . . 4.550 3.903 3.059 4.570 0.020 20 0 "[ . 1 . 2]" 1
1822 1 87 PHE QE 1 173 GLU QG . . 3.990 2.721 2.066 3.990 . 0 0 "[ . 1 . 2]" 1
1823 1 87 PHE QE 1 173 GLU HG3 . . 4.550 2.812 2.097 4.550 . 0 0 "[ . 1 . 2]" 1
1824 1 87 PHE HZ 1 172 TYR H . . 4.550 3.795 3.221 4.340 . 0 0 "[ . 1 . 2]" 1
1825 1 88 MET H 1 88 MET HB2 . . 4.140 3.828 3.717 3.906 . 0 0 "[ . 1 . 2]" 1
1826 1 88 MET H 1 88 MET HB3 . . 4.140 3.025 2.824 3.184 . 0 0 "[ . 1 . 2]" 1
1827 1 88 MET H 1 88 MET ME . . 4.290 3.744 3.292 4.101 . 0 0 "[ . 1 . 2]" 1
1828 1 88 MET H 1 88 MET HG2 . . 3.710 2.406 2.146 2.600 . 0 0 "[ . 1 . 2]" 1
1829 1 88 MET H 1 88 MET QG . . 3.210 2.352 2.106 2.527 . 0 0 "[ . 1 . 2]" 1
1830 1 88 MET H 1 88 MET HG3 . . 3.710 3.357 3.062 3.764 0.054 17 0 "[ . 1 . 2]" 1
1831 1 88 MET H 1 89 GLY H . . 4.760 4.449 4.350 4.527 . 0 0 "[ . 1 . 2]" 1
1832 1 88 MET H 1 99 PHE HB2 . . 5.500 5.300 4.947 5.496 . 0 0 "[ . 1 . 2]" 1
1833 1 88 MET H 1 167 MET ME . . 5.180 5.033 4.534 5.180 . 0 0 "[ . 1 . 2]" 1
1834 1 88 MET H 1 172 TYR H . . 3.590 3.362 3.042 3.588 . 0 0 "[ . 1 . 2]" 1
1835 1 88 MET H 1 172 TYR QD . . 4.510 4.177 3.626 4.508 . 0 0 "[ . 1 . 2]" 1
1836 1 88 MET H 1 173 GLU HA . . 4.180 3.772 3.396 4.088 . 0 0 "[ . 1 . 2]" 1
1837 1 88 MET H 1 174 ASN H . . 5.500 4.309 3.970 4.681 . 0 0 "[ . 1 . 2]" 1
1838 1 88 MET H 1 174 ASN HB2 . . 5.500 5.339 4.985 5.505 0.005 14 0 "[ . 1 . 2]" 1
1839 1 88 MET HA 1 88 MET ME . . 4.910 4.780 4.420 4.916 0.006 8 0 "[ . 1 . 2]" 1
1840 1 88 MET HA 1 89 GLY H . . 3.510 2.309 2.204 2.482 . 0 0 "[ . 1 . 2]" 1
1841 1 88 MET HA 1 99 PHE HA . . 3.970 2.136 1.996 2.286 . 0 0 "[ . 1 . 2]" 1
1842 1 88 MET HA 1 99 PHE HB2 . . 4.600 3.364 3.054 3.576 . 0 0 "[ . 1 . 2]" 1
1843 1 88 MET HA 1 99 PHE HB3 . . 5.090 3.626 3.254 3.964 . 0 0 "[ . 1 . 2]" 1
1844 1 88 MET HA 1 100 ILE H . . 4.180 2.839 2.573 3.055 . 0 0 "[ . 1 . 2]" 1
1845 1 88 MET HA 1 100 ILE MD . . 5.500 4.372 3.048 5.035 . 0 0 "[ . 1 . 2]" 1
1846 1 88 MET QB 1 88 MET ME . . 3.670 2.711 2.201 2.919 . 0 0 "[ . 1 . 2]" 1
1847 1 88 MET QB 1 89 GLY H . . 3.570 2.698 2.255 3.032 . 0 0 "[ . 1 . 2]" 1
1848 1 88 MET QB 1 97 PHE QE . . 4.080 2.912 2.511 3.151 . 0 0 "[ . 1 . 2]" 1
1849 1 88 MET QB 1 99 PHE HB3 . . 4.380 2.687 2.485 2.852 . 0 0 "[ . 1 . 2]" 1
1850 1 88 MET QB 1 100 ILE H . . 4.220 3.742 3.304 4.003 . 0 0 "[ . 1 . 2]" 1
1851 1 88 MET HB2 1 97 PHE QE . . 4.680 2.954 2.535 3.208 . 0 0 "[ . 1 . 2]" 1
1852 1 88 MET HB2 1 99 PHE HA . . 4.820 3.239 2.792 3.589 . 0 0 "[ . 1 . 2]" 1
1853 1 88 MET HB2 1 100 ILE H . . 4.790 4.561 4.166 4.810 0.020 17 0 "[ . 1 . 2]" 1
1854 1 88 MET HB3 1 97 PHE QE . . 4.680 4.434 4.071 4.650 . 0 0 "[ . 1 . 2]" 1
1855 1 88 MET HB3 1 99 PHE HA . . 4.820 3.564 3.138 3.948 . 0 0 "[ . 1 . 2]" 1
1856 1 88 MET HB3 1 100 ILE H . . 4.790 3.979 3.466 4.288 . 0 0 "[ . 1 . 2]" 1
1857 1 88 MET ME 1 126 VAL MG2 . . 3.180 2.182 1.833 2.833 . 0 0 "[ . 1 . 2]" 1
1858 1 88 MET ME 1 127 GLN H . . 4.220 4.054 3.756 4.210 . 0 0 "[ . 1 . 2]" 1
1859 1 88 MET ME 1 127 GLN HA . . 3.350 2.296 1.934 2.692 . 0 0 "[ . 1 . 2]" 1
1860 1 88 MET ME 1 130 CYS H . . 4.500 4.228 3.909 4.479 . 0 0 "[ . 1 . 2]" 1
1861 1 88 MET ME 1 130 CYS HA . . 5.460 5.095 4.754 5.439 . 0 0 "[ . 1 . 2]" 1
1862 1 88 MET ME 1 130 CYS HG . . 3.190 2.426 1.985 2.953 . 0 0 "[ . 1 . 2]" 1
1863 1 88 MET ME 1 172 TYR H . . 5.500 5.007 4.150 5.337 . 0 0 "[ . 1 . 2]" 1
1864 1 88 MET ME 1 172 TYR QD . . 3.150 2.256 1.952 2.829 . 0 0 "[ . 1 . 2]" 1
1865 1 88 MET ME 1 172 TYR QE . . 3.940 3.248 2.573 3.944 0.004 8 0 "[ . 1 . 2]" 1
1866 1 88 MET QG 1 89 GLY H . . 4.280 3.548 3.263 3.709 . 0 0 "[ . 1 . 2]" 1
1867 1 88 MET QG 1 97 PHE QE . . 4.590 3.875 3.426 4.398 . 0 0 "[ . 1 . 2]" 1
1868 1 88 MET QG 1 126 VAL MG2 . . 5.270 4.059 3.258 4.545 . 0 0 "[ . 1 . 2]" 1
1869 1 88 MET QG 1 167 MET ME . . 3.220 2.491 1.980 2.778 . 0 0 "[ . 1 . 2]" 1
1870 1 88 MET QG 1 172 TYR H . . 3.550 3.149 2.504 3.550 0.000 14 0 "[ . 1 . 2]" 1
1871 1 88 MET QG 1 172 TYR QD . . 3.910 2.939 2.079 3.763 . 0 0 "[ . 1 . 2]" 1
1872 1 88 MET HG2 1 167 MET ME . . 3.840 3.593 2.287 3.837 . 0 0 "[ . 1 . 2]" 1
1873 1 88 MET HG2 1 172 TYR H . . 4.080 3.592 2.527 4.053 . 0 0 "[ . 1 . 2]" 1
1874 1 88 MET HG3 1 167 MET ME . . 3.840 2.547 2.168 2.859 . 0 0 "[ . 1 . 2]" 1
1875 1 88 MET HG3 1 172 TYR H . . 4.080 3.562 2.744 4.078 . 0 0 "[ . 1 . 2]" 1
1876 1 89 GLY H 1 90 VAL H . . 4.590 4.367 4.317 4.400 . 0 0 "[ . 1 . 2]" 1
1877 1 89 GLY H 1 97 PHE QE . . 4.460 4.036 3.504 4.447 . 0 0 "[ . 1 . 2]" 1
1878 1 89 GLY H 1 98 ALA H . . 4.010 3.935 3.804 4.011 0.001 14 0 "[ . 1 . 2]" 1
1879 1 89 GLY H 1 98 ALA MB . . 4.440 4.251 3.989 4.394 . 0 0 "[ . 1 . 2]" 1
1880 1 89 GLY H 1 99 PHE HA . . 4.090 3.087 2.912 3.250 . 0 0 "[ . 1 . 2]" 1
1881 1 89 GLY H 1 100 ILE H . . 4.910 4.735 4.548 4.872 . 0 0 "[ . 1 . 2]" 1
1882 1 89 GLY QA 1 90 VAL MG2 . . 4.250 3.342 3.144 3.459 . 0 0 "[ . 1 . 2]" 1
1883 1 90 VAL H 1 90 VAL HB . . 3.560 2.613 2.489 2.733 . 0 0 "[ . 1 . 2]" 1
1884 1 90 VAL H 1 90 VAL MG1 . . 3.940 3.814 3.734 3.884 . 0 0 "[ . 1 . 2]" 1
1885 1 90 VAL H 1 90 VAL MG2 . . 3.790 2.956 2.735 3.178 . 0 0 "[ . 1 . 2]" 1
1886 1 90 VAL H 1 91 GLY H . . 4.970 4.435 4.317 4.520 . 0 0 "[ . 1 . 2]" 1
1887 1 90 VAL H 1 98 ALA H . . 5.380 5.151 5.002 5.321 . 0 0 "[ . 1 . 2]" 1
1888 1 90 VAL H 1 167 MET HB2 . . 4.230 3.868 3.567 4.158 . 0 0 "[ . 1 . 2]" 1
1889 1 90 VAL H 1 167 MET HB3 . . 4.230 3.115 1.943 3.586 . 0 0 "[ . 1 . 2]" 1
1890 1 90 VAL H 1 168 GLN H . . 5.090 4.081 3.607 4.572 . 0 0 "[ . 1 . 2]" 1
1891 1 90 VAL HA 1 90 VAL MG2 . . 3.620 2.318 2.166 2.403 . 0 0 "[ . 1 . 2]" 1
1892 1 90 VAL HA 1 91 GLY H . . 3.340 2.223 2.158 2.294 . 0 0 "[ . 1 . 2]" 1
1893 1 90 VAL HA 1 97 PHE HA . . 4.370 2.786 2.357 3.183 . 0 0 "[ . 1 . 2]" 1
1894 1 90 VAL HA 1 98 ALA H . . 4.190 2.938 2.750 3.127 . 0 0 "[ . 1 . 2]" 1
1895 1 90 VAL HB 1 167 MET H . . 5.360 5.076 4.823 5.355 . 0 0 "[ . 1 . 2]" 1
1896 1 90 VAL HB 1 167 MET HB2 . . 4.480 2.905 2.539 3.294 . 0 0 "[ . 1 . 2]" 1
1897 1 90 VAL HB 1 167 MET QB . . 3.760 2.696 2.078 3.021 . 0 0 "[ . 1 . 2]" 1
1898 1 90 VAL HB 1 167 MET HB3 . . 4.480 3.331 2.131 3.959 . 0 0 "[ . 1 . 2]" 1
1899 1 90 VAL HB 1 168 GLN H . . 4.000 3.254 2.767 3.727 . 0 0 "[ . 1 . 2]" 1
1900 1 90 VAL HB 1 168 GLN QB . . 4.810 3.007 2.007 4.135 . 0 0 "[ . 1 . 2]" 1
1901 1 90 VAL HB 1 168 GLN QG . . 4.400 2.889 1.858 3.831 . 0 0 "[ . 1 . 2]" 1
1902 1 90 VAL MG1 1 91 GLY H . . 3.440 1.993 1.882 2.360 . 0 0 "[ . 1 . 2]" 1
1903 1 90 VAL MG1 1 92 LYS H . . 5.450 4.770 4.623 4.899 . 0 0 "[ . 1 . 2]" 1
1904 1 90 VAL MG1 1 94 VAL H . . 4.330 3.983 3.707 4.314 . 0 0 "[ . 1 . 2]" 1
1905 1 90 VAL MG1 1 94 VAL HA . . 3.270 2.028 1.793 2.408 . 0 0 "[ . 1 . 2]" 1
1906 1 90 VAL MG1 1 94 VAL MG2 . . 4.710 4.294 4.002 4.628 . 0 0 "[ . 1 . 2]" 1
1907 1 90 VAL MG1 1 97 PHE H . . 5.040 4.705 4.366 4.971 . 0 0 "[ . 1 . 2]" 1
1908 1 90 VAL MG1 1 97 PHE HA . . 4.290 3.467 3.188 3.779 . 0 0 "[ . 1 . 2]" 1
1909 1 90 VAL MG1 1 98 ALA H . . 4.760 4.516 4.356 4.699 . 0 0 "[ . 1 . 2]" 1
1910 1 90 VAL MG1 1 167 MET QB . . 4.410 3.856 3.484 4.275 . 0 0 "[ . 1 . 2]" 1
1911 1 90 VAL MG1 1 168 GLN H . . 5.500 4.367 4.006 4.780 . 0 0 "[ . 1 . 2]" 1
1912 1 90 VAL MG1 1 168 GLN QB . . 4.080 3.158 2.138 4.064 . 0 0 "[ . 1 . 2]" 1
1913 1 90 VAL MG1 1 168 GLN HE21 . . 4.210 2.700 1.950 3.881 . 0 0 "[ . 1 . 2]" 1
1914 1 90 VAL MG1 1 168 GLN QE . . 3.660 2.593 1.931 3.568 . 0 0 "[ . 1 . 2]" 1
1915 1 90 VAL MG1 1 168 GLN HE22 . . 4.210 3.608 3.115 4.164 . 0 0 "[ . 1 . 2]" 1
1916 1 90 VAL MG1 1 168 GLN HG2 . . 5.060 3.202 2.025 4.510 . 0 0 "[ . 1 . 2]" 1
1917 1 90 VAL MG1 1 168 GLN HG3 . . 5.060 4.030 2.649 5.063 0.003 17 0 "[ . 1 . 2]" 1
1918 1 90 VAL MG2 1 91 GLY H . . 4.080 3.811 3.667 3.936 . 0 0 "[ . 1 . 2]" 1
1919 1 90 VAL MG2 1 94 VAL HA . . 4.190 3.752 3.439 4.162 . 0 0 "[ . 1 . 2]" 1
1920 1 90 VAL MG2 1 96 THR H . . 5.240 4.961 4.555 5.239 . 0 0 "[ . 1 . 2]" 1
1921 1 90 VAL MG2 1 97 PHE H . . 5.500 5.070 4.731 5.343 . 0 0 "[ . 1 . 2]" 1
1922 1 90 VAL MG2 1 97 PHE HA . . 4.180 2.886 2.619 3.206 . 0 0 "[ . 1 . 2]" 1
1923 1 90 VAL MG2 1 97 PHE QB . . 4.140 3.222 2.623 3.707 . 0 0 "[ . 1 . 2]" 1
1924 1 90 VAL MG2 1 97 PHE QD . . 3.690 2.667 2.273 3.130 . 0 0 "[ . 1 . 2]" 1
1925 1 90 VAL MG2 1 98 ALA H . . 4.570 3.818 3.478 4.084 . 0 0 "[ . 1 . 2]" 1
1926 1 90 VAL MG2 1 123 SER QB . . 4.130 3.349 2.588 3.851 . 0 0 "[ . 1 . 2]" 1
1927 1 90 VAL MG2 1 164 LEU HA . . 4.390 3.617 3.148 3.985 . 0 0 "[ . 1 . 2]" 1
1928 1 90 VAL MG2 1 167 MET H . . 4.900 4.599 4.293 4.904 0.004 14 0 "[ . 1 . 2]" 1
1929 1 90 VAL MG2 1 167 MET HB2 . . 3.690 2.424 2.061 2.740 . 0 0 "[ . 1 . 2]" 1
1930 1 90 VAL MG2 1 167 MET HB3 . . 3.690 2.513 1.991 3.209 . 0 0 "[ . 1 . 2]" 1
1931 1 90 VAL MG2 1 167 MET ME . . 4.250 3.593 3.183 4.244 . 0 0 "[ . 1 . 2]" 1
1932 1 90 VAL MG2 1 167 MET QG . . 3.710 2.946 2.117 3.660 . 0 0 "[ . 1 . 2]" 1
1933 1 90 VAL MG2 1 168 GLN H . . 4.340 4.017 3.462 4.342 0.002 2 0 "[ . 1 . 2]" 1
1934 1 91 GLY H 1 92 LYS H . . 4.710 4.501 4.290 4.617 . 0 0 "[ . 1 . 2]" 1
1935 1 91 GLY H 1 93 ASP H . . 4.820 4.631 4.162 4.798 . 0 0 "[ . 1 . 2]" 1
1936 1 91 GLY H 1 96 THR H . . 4.770 4.667 4.440 4.770 . 0 0 "[ . 1 . 2]" 1
1937 1 91 GLY H 1 97 PHE HA . . 4.510 3.708 3.287 4.101 . 0 0 "[ . 1 . 2]" 1
1938 1 91 GLY QA 1 93 ASP H . . 4.390 3.311 2.913 3.559 . 0 0 "[ . 1 . 2]" 1
1939 1 92 LYS H 1 92 LYS HB2 . . 3.560 2.392 2.200 3.573 0.013 11 0 "[ . 1 . 2]" 1
1940 1 92 LYS H 1 92 LYS QB . . 2.920 2.247 2.160 2.364 . 0 0 "[ . 1 . 2]" 1
1941 1 92 LYS H 1 92 LYS HB3 . . 3.560 3.084 2.371 3.582 0.022 2 0 "[ . 1 . 2]" 1
1942 1 92 LYS H 1 93 ASP H . . 3.400 2.845 2.666 3.045 . 0 0 "[ . 1 . 2]" 1
1943 1 92 LYS HA 1 92 LYS HG2 . . 4.250 2.950 2.259 3.826 . 0 0 "[ . 1 . 2]" 1
1944 1 92 LYS HA 1 92 LYS QG . . 3.650 2.515 2.218 3.336 . 0 0 "[ . 1 . 2]" 1
1945 1 92 LYS HA 1 92 LYS HG3 . . 4.250 3.007 2.462 3.751 . 0 0 "[ . 1 . 2]" 1
1946 1 92 LYS HA 1 168 GLN HE21 . . 4.160 3.471 2.929 4.156 . 0 0 "[ . 1 . 2]" 1
1947 1 92 LYS HA 1 168 GLN QE . . 3.550 3.131 2.858 3.449 . 0 0 "[ . 1 . 2]" 1
1948 1 92 LYS HA 1 168 GLN HE22 . . 4.160 3.817 3.085 4.157 . 0 0 "[ . 1 . 2]" 1
1949 1 92 LYS QB 1 92 LYS QE . . 4.440 3.084 1.955 3.740 . 0 0 "[ . 1 . 2]" 1
1950 1 92 LYS QB 1 93 ASP H . . 3.440 2.707 2.423 3.361 . 0 0 "[ . 1 . 2]" 1
1951 1 92 LYS HB2 1 93 ASP H . . 4.000 3.397 2.629 3.929 . 0 0 "[ . 1 . 2]" 1
1952 1 92 LYS HB3 1 93 ASP H . . 4.000 3.076 2.451 3.852 . 0 0 "[ . 1 . 2]" 1
1953 1 92 LYS HG2 1 93 ASP H . . 5.500 4.562 2.111 5.335 . 0 0 "[ . 1 . 2]" 1
1954 1 92 LYS HG3 1 93 ASP H . . 5.500 4.549 2.373 5.458 . 0 0 "[ . 1 . 2]" 1
1955 1 93 ASP H 1 93 ASP HB2 . . 3.620 2.342 2.251 2.515 . 0 0 "[ . 1 . 2]" 1
1956 1 93 ASP H 1 93 ASP QB . . 3.110 2.300 2.226 2.379 . 0 0 "[ . 1 . 2]" 1
1957 1 93 ASP H 1 93 ASP HB3 . . 3.620 3.491 2.789 3.615 . 0 0 "[ . 1 . 2]" 1
1958 1 93 ASP HA 1 94 VAL H . . 3.080 2.182 2.139 2.329 . 0 0 "[ . 1 . 2]" 1
1959 1 93 ASP HA 1 94 VAL MG1 . . 3.960 3.592 3.310 3.833 . 0 0 "[ . 1 . 2]" 1
1960 1 93 ASP HA 1 94 VAL MG2 . . 4.180 3.992 3.763 4.157 . 0 0 "[ . 1 . 2]" 1
1961 1 93 ASP QB 1 94 VAL H . . 3.940 3.207 2.634 3.751 . 0 0 "[ . 1 . 2]" 1
1962 1 93 ASP QB 1 95 HIS H . . 4.270 2.489 2.123 3.086 . 0 0 "[ . 1 . 2]" 1
1963 1 93 ASP QB 1 96 THR H . . 3.990 3.130 2.815 3.927 . 0 0 "[ . 1 . 2]" 1
1964 1 93 ASP HB2 1 94 VAL H . . 4.690 4.307 3.984 4.454 . 0 0 "[ . 1 . 2]" 1
1965 1 93 ASP HB2 1 95 HIS H . . 4.860 3.896 3.281 4.406 . 0 0 "[ . 1 . 2]" 1
1966 1 93 ASP HB2 1 96 THR H . . 4.560 3.815 3.259 4.553 . 0 0 "[ . 1 . 2]" 1
1967 1 93 ASP HB2 1 96 THR MG . . 3.710 2.691 2.054 3.617 . 0 0 "[ . 1 . 2]" 1
1968 1 93 ASP HB3 1 94 VAL H . . 4.690 3.320 2.672 4.046 . 0 0 "[ . 1 . 2]" 1
1969 1 93 ASP HB3 1 95 HIS H . . 4.860 2.520 2.146 3.151 . 0 0 "[ . 1 . 2]" 1
1970 1 93 ASP HB3 1 96 THR H . . 4.560 3.373 2.842 4.330 . 0 0 "[ . 1 . 2]" 1
1971 1 93 ASP HB3 1 96 THR MG . . 3.710 3.092 2.429 3.694 . 0 0 "[ . 1 . 2]" 1
1972 1 94 VAL H 1 94 VAL HB . . 3.930 3.614 3.572 3.667 . 0 0 "[ . 1 . 2]" 1
1973 1 94 VAL H 1 94 VAL MG1 . . 3.190 2.120 1.873 2.537 . 0 0 "[ . 1 . 2]" 1
1974 1 94 VAL H 1 94 VAL MG2 . . 3.140 2.280 2.054 2.574 . 0 0 "[ . 1 . 2]" 1
1975 1 94 VAL H 1 95 HIS H . . 3.570 2.656 2.377 2.880 . 0 0 "[ . 1 . 2]" 1
1976 1 94 VAL H 1 168 GLN QE . . 4.440 3.422 2.567 4.222 . 0 0 "[ . 1 . 2]" 1
1977 1 94 VAL HA 1 94 VAL MG1 . . 3.250 2.393 2.259 2.498 . 0 0 "[ . 1 . 2]" 1
1978 1 94 VAL HA 1 94 VAL MG2 . . 3.470 3.192 3.176 3.202 . 0 0 "[ . 1 . 2]" 1
1979 1 94 VAL HA 1 96 THR H . . 4.010 3.671 3.277 4.014 0.004 17 0 "[ . 1 . 2]" 1
1980 1 94 VAL HA 1 164 LEU QD . . 4.150 3.086 1.997 3.507 . 0 0 "[ . 1 . 2]" 1
1981 1 94 VAL HA 1 168 GLN QE . . 4.900 3.494 2.788 4.138 . 0 0 "[ . 1 . 2]" 1
1982 1 94 VAL HB 1 95 HIS H . . 4.660 4.142 3.846 4.382 . 0 0 "[ . 1 . 2]" 1
1983 1 94 VAL HB 1 119 ALA H . . 3.840 3.503 3.339 3.641 . 0 0 "[ . 1 . 2]" 1
1984 1 94 VAL HB 1 164 LEU QB . . 4.200 2.674 2.044 3.570 . 0 0 "[ . 1 . 2]" 1
1985 1 94 VAL HB 1 164 LEU MD1 . . 3.530 2.423 1.930 3.523 . 0 0 "[ . 1 . 2]" 1
1986 1 94 VAL HB 1 164 LEU MD2 . . 3.530 2.254 1.865 3.552 0.022 12 0 "[ . 1 . 2]" 1
1987 1 94 VAL MG1 1 95 HIS H . . 4.470 3.940 3.691 4.250 . 0 0 "[ . 1 . 2]" 1
1988 1 94 VAL MG1 1 118 ASN QB . . 4.570 4.114 3.736 4.312 . 0 0 "[ . 1 . 2]" 1
1989 1 94 VAL MG1 1 119 ALA H . . 5.000 4.938 4.830 5.007 0.007 5 0 "[ . 1 . 2]" 1
1990 1 94 VAL MG1 1 168 GLN HE21 . . 3.690 3.318 2.796 3.701 0.011 20 0 "[ . 1 . 2]" 1
1991 1 94 VAL MG1 1 168 GLN QE . . 3.200 2.433 1.876 2.953 . 0 0 "[ . 1 . 2]" 1
1992 1 94 VAL MG1 1 168 GLN HE22 . . 3.690 2.579 1.894 3.156 . 0 0 "[ . 1 . 2]" 1
1993 1 94 VAL MG2 1 95 HIS H . . 3.660 2.444 1.900 3.106 . 0 0 "[ . 1 . 2]" 1
1994 1 94 VAL MG2 1 95 HIS HA . . 4.460 3.216 2.852 3.531 . 0 0 "[ . 1 . 2]" 1
1995 1 94 VAL MG2 1 118 ASN H . . 5.080 4.993 4.734 5.086 0.006 20 0 "[ . 1 . 2]" 1
1996 1 94 VAL MG2 1 118 ASN HA . . 4.150 3.120 2.748 3.390 . 0 0 "[ . 1 . 2]" 1
1997 1 94 VAL MG2 1 118 ASN HB2 . . 3.690 2.647 2.163 3.087 . 0 0 "[ . 1 . 2]" 1
1998 1 94 VAL MG2 1 118 ASN QB . . 3.150 2.034 1.922 2.146 . 0 0 "[ . 1 . 2]" 1
1999 1 94 VAL MG2 1 118 ASN HB3 . . 3.690 2.154 1.966 2.735 . 0 0 "[ . 1 . 2]" 1
2000 1 94 VAL MG2 1 118 ASN HD21 . . 5.220 4.755 4.445 5.000 . 0 0 "[ . 1 . 2]" 1
2001 1 94 VAL MG2 1 118 ASN HD22 . . 5.500 5.379 5.212 5.488 . 0 0 "[ . 1 . 2]" 1
2002 1 94 VAL MG2 1 119 ALA H . . 4.000 3.288 2.759 3.992 . 0 0 "[ . 1 . 2]" 1
2003 1 94 VAL MG2 1 119 ALA MB . . 5.160 4.387 3.886 5.038 . 0 0 "[ . 1 . 2]" 1
2004 1 94 VAL MG2 1 168 GLN QE . . 5.340 4.598 4.186 4.964 . 0 0 "[ . 1 . 2]" 1
2005 1 95 HIS H 1 95 HIS HB2 . . 4.110 2.542 2.341 2.811 . 0 0 "[ . 1 . 2]" 1
2006 1 95 HIS H 1 95 HIS QB . . 3.600 2.492 2.312 2.714 . 0 0 "[ . 1 . 2]" 1
2007 1 95 HIS H 1 95 HIS HB3 . . 4.110 3.607 3.574 3.696 . 0 0 "[ . 1 . 2]" 1
2008 1 95 HIS H 1 96 THR H . . 3.310 2.580 2.189 2.914 . 0 0 "[ . 1 . 2]" 1
2009 1 95 HIS H 1 96 THR MG . . 4.140 3.858 3.342 4.149 0.009 5 0 "[ . 1 . 2]" 1
2010 1 95 HIS HA 1 95 HIS HD2 . . 4.640 3.850 3.472 4.273 . 0 0 "[ . 1 . 2]" 1
2011 1 95 HIS HA 1 115 CYS H . . 4.290 3.948 3.691 4.154 . 0 0 "[ . 1 . 2]" 1
2012 1 95 HIS HA 1 118 ASN HB2 . . 4.730 3.997 3.747 4.443 . 0 0 "[ . 1 . 2]" 1
2013 1 95 HIS HA 1 118 ASN QB . . 4.070 3.446 3.271 3.807 . 0 0 "[ . 1 . 2]" 1
2014 1 95 HIS HA 1 118 ASN HB3 . . 4.730 3.784 3.538 4.552 . 0 0 "[ . 1 . 2]" 1
2015 1 95 HIS HA 1 119 ALA H . . 3.750 3.137 2.706 3.678 . 0 0 "[ . 1 . 2]" 1
2016 1 95 HIS HA 1 119 ALA MB . . 4.310 3.633 3.266 4.054 . 0 0 "[ . 1 . 2]" 1
2017 1 95 HIS QB 1 96 THR H . . 3.780 3.069 2.636 3.773 . 0 0 "[ . 1 . 2]" 1
2018 1 95 HIS QB 1 96 THR MG . . 3.830 2.977 2.818 3.195 . 0 0 "[ . 1 . 2]" 1
2019 1 95 HIS QB 1 114 TRP HZ2 . . 4.760 2.775 2.445 3.071 . 0 0 "[ . 1 . 2]" 1
2020 1 95 HIS QB 1 114 TRP HZ3 . . 5.220 3.812 3.347 4.344 . 0 0 "[ . 1 . 2]" 1
2021 1 95 HIS QB 1 115 CYS H . . 4.060 3.867 3.472 4.050 . 0 0 "[ . 1 . 2]" 1
2022 1 95 HIS HB2 1 114 TRP HE1 . . 4.910 4.621 3.963 4.895 . 0 0 "[ . 1 . 2]" 1
2023 1 95 HIS HB3 1 114 TRP HE1 . . 4.910 3.312 2.887 3.573 . 0 0 "[ . 1 . 2]" 1
2024 1 95 HIS HD2 1 114 TRP HE1 . . 4.300 3.722 2.711 4.201 . 0 0 "[ . 1 . 2]" 1
2025 1 95 HIS HD2 1 114 TRP HZ2 . . 4.090 3.447 2.624 4.051 . 0 0 "[ . 1 . 2]" 1
2026 1 95 HIS HD2 1 116 GLU HA . . 4.230 3.978 3.442 4.233 0.003 18 0 "[ . 1 . 2]" 1
2027 1 95 HIS HD2 1 117 PRO HA . . 4.720 3.778 3.293 3.992 . 0 0 "[ . 1 . 2]" 1
2028 1 95 HIS HD2 1 117 PRO QB . . 4.610 4.182 3.657 4.611 0.001 16 0 "[ . 1 . 2]" 1
2029 1 95 HIS HD2 1 118 ASN HA . . 4.550 3.931 3.440 4.348 . 0 0 "[ . 1 . 2]" 1
2030 1 96 THR H 1 96 THR HB . . 3.900 3.705 3.633 3.894 . 0 0 "[ . 1 . 2]" 1
2031 1 96 THR H 1 96 THR MG . . 3.380 2.450 2.004 3.137 . 0 0 "[ . 1 . 2]" 1
2032 1 96 THR H 1 97 PHE H . . 4.730 4.554 4.395 4.618 . 0 0 "[ . 1 . 2]" 1
2033 1 96 THR HA 1 96 THR MG . . 3.450 2.419 2.188 2.502 . 0 0 "[ . 1 . 2]" 1
2034 1 96 THR HA 1 97 PHE H . . 3.220 2.319 2.255 2.409 . 0 0 "[ . 1 . 2]" 1
2035 1 96 THR HA 1 112 VAL MG1 . . 4.630 4.058 3.820 4.258 . 0 0 "[ . 1 . 2]" 1
2036 1 96 THR HA 1 115 CYS H . . 4.560 3.009 2.563 3.236 . 0 0 "[ . 1 . 2]" 1
2037 1 96 THR HB 1 97 PHE H . . 3.870 2.619 2.416 2.789 . 0 0 "[ . 1 . 2]" 1
2038 1 96 THR HB 1 112 VAL MG1 . . 4.260 3.003 2.794 3.279 . 0 0 "[ . 1 . 2]" 1
2039 1 96 THR MG 1 97 PHE H . . 3.840 3.789 3.661 3.857 0.017 5 0 "[ . 1 . 2]" 1
2040 1 96 THR MG 1 114 TRP HE3 . . 3.470 2.102 1.968 2.319 . 0 0 "[ . 1 . 2]" 1
2041 1 96 THR MG 1 114 TRP HH2 . . 4.880 3.703 3.458 3.979 . 0 0 "[ . 1 . 2]" 1
2042 1 96 THR MG 1 114 TRP HZ3 . . 3.820 2.331 2.054 2.531 . 0 0 "[ . 1 . 2]" 1
2043 1 96 THR MG 1 115 CYS H . . 4.600 4.461 4.087 4.602 0.002 12 0 "[ . 1 . 2]" 1
2044 1 97 PHE H 1 97 PHE HB2 . . 3.950 3.534 3.396 3.680 . 0 0 "[ . 1 . 2]" 1
2045 1 97 PHE H 1 97 PHE HB3 . . 3.950 2.819 2.718 2.916 . 0 0 "[ . 1 . 2]" 1
2046 1 97 PHE H 1 97 PHE QD . . 4.460 4.304 4.065 4.433 . 0 0 "[ . 1 . 2]" 1
2047 1 97 PHE H 1 98 ALA H . . 4.580 3.991 3.897 4.156 . 0 0 "[ . 1 . 2]" 1
2048 1 97 PHE H 1 112 VAL MG1 . . 4.380 2.897 2.697 3.158 . 0 0 "[ . 1 . 2]" 1
2049 1 97 PHE H 1 113 PHE H . . 4.000 2.927 2.758 3.158 . 0 0 "[ . 1 . 2]" 1
2050 1 97 PHE H 1 113 PHE QB . . 4.940 4.323 4.047 4.506 . 0 0 "[ . 1 . 2]" 1
2051 1 97 PHE H 1 113 PHE QD . . 5.500 5.203 4.902 5.422 . 0 0 "[ . 1 . 2]" 1
2052 1 97 PHE H 1 114 TRP HE3 . . 5.500 5.350 5.071 5.499 . 0 0 "[ . 1 . 2]" 1
2053 1 97 PHE H 1 115 CYS H . . 4.590 4.236 3.830 4.564 . 0 0 "[ . 1 . 2]" 1
2054 1 97 PHE H 1 115 CYS HG . . 4.480 4.129 3.759 4.484 0.004 17 0 "[ . 1 . 2]" 1
2055 1 97 PHE H 1 119 ALA MB . . 5.330 4.324 4.035 4.613 . 0 0 "[ . 1 . 2]" 1
2056 1 97 PHE HA 1 97 PHE QD . . 3.950 2.552 2.305 2.856 . 0 0 "[ . 1 . 2]" 1
2057 1 97 PHE HA 1 98 ALA H . . 3.140 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
2058 1 97 PHE HA 1 119 ALA MB . . 4.770 3.655 3.415 3.866 . 0 0 "[ . 1 . 2]" 1
2059 1 97 PHE QB 1 115 CYS HG . . 4.650 2.429 2.172 2.929 . 0 0 "[ . 1 . 2]" 1
2060 1 97 PHE QB 1 119 ALA MB . . 3.330 2.067 1.803 2.270 . 0 0 "[ . 1 . 2]" 1
2061 1 97 PHE HB2 1 98 ALA H . . 4.610 4.224 4.131 4.314 . 0 0 "[ . 1 . 2]" 1
2062 1 97 PHE HB2 1 122 VAL MG1 . . 4.370 3.756 3.339 4.150 . 0 0 "[ . 1 . 2]" 1
2063 1 97 PHE HB3 1 98 ALA H . . 4.610 4.434 4.356 4.514 . 0 0 "[ . 1 . 2]" 1
2064 1 97 PHE HB3 1 122 VAL MG1 . . 4.370 3.537 3.074 3.891 . 0 0 "[ . 1 . 2]" 1
2065 1 97 PHE QD 1 98 ALA H . . 3.660 3.188 2.968 3.527 . 0 0 "[ . 1 . 2]" 1
2066 1 97 PHE QD 1 113 PHE H . . 4.580 4.093 3.605 4.439 . 0 0 "[ . 1 . 2]" 1
2067 1 97 PHE QD 1 119 ALA MB . . 3.860 3.452 3.052 3.667 . 0 0 "[ . 1 . 2]" 1
2068 1 97 PHE QD 1 122 VAL MG1 . . 3.740 2.595 2.286 2.986 . 0 0 "[ . 1 . 2]" 1
2069 1 97 PHE QD 1 123 SER HB2 . . 5.410 4.501 3.116 5.307 . 0 0 "[ . 1 . 2]" 1
2070 1 97 PHE QD 1 123 SER QB . . 4.650 3.884 3.080 4.560 . 0 0 "[ . 1 . 2]" 1
2071 1 97 PHE QD 1 123 SER HB3 . . 5.410 4.425 3.357 5.175 . 0 0 "[ . 1 . 2]" 1
2072 1 97 PHE QE 1 122 VAL MG1 . . 4.140 2.856 2.470 3.166 . 0 0 "[ . 1 . 2]" 1
2073 1 97 PHE QE 1 123 SER HA . . 3.960 3.385 2.928 3.671 . 0 0 "[ . 1 . 2]" 1
2074 1 97 PHE QE 1 123 SER HB2 . . 5.500 4.817 3.686 5.489 . 0 0 "[ . 1 . 2]" 1
2075 1 97 PHE QE 1 123 SER QB . . 4.760 4.014 3.365 4.517 . 0 0 "[ . 1 . 2]" 1
2076 1 97 PHE QE 1 123 SER HB3 . . 5.500 4.478 3.783 5.477 . 0 0 "[ . 1 . 2]" 1
2077 1 97 PHE QE 1 126 VAL HB . . 4.550 4.173 3.694 4.454 . 0 0 "[ . 1 . 2]" 1
2078 1 97 PHE QE 1 126 VAL MG1 . . 3.580 2.679 2.291 2.953 . 0 0 "[ . 1 . 2]" 1
2079 1 97 PHE QE 1 167 MET ME . . 4.540 3.976 3.263 4.455 . 0 0 "[ . 1 . 2]" 1
2080 1 97 PHE HZ 1 123 SER HA . . 4.550 4.076 3.751 4.388 . 0 0 "[ . 1 . 2]" 1
2081 1 97 PHE HZ 1 126 VAL HB . . 4.220 3.405 2.965 3.901 . 0 0 "[ . 1 . 2]" 1
2082 1 97 PHE HZ 1 126 VAL MG1 . . 3.670 2.345 1.993 2.751 . 0 0 "[ . 1 . 2]" 1
2083 1 97 PHE HZ 1 126 VAL MG2 . . 4.180 2.833 2.116 3.305 . 0 0 "[ . 1 . 2]" 1
2084 1 98 ALA H 1 98 ALA MB . . 3.470 2.496 2.376 2.600 . 0 0 "[ . 1 . 2]" 1
2085 1 98 ALA HA 1 99 PHE H . . 3.060 2.258 2.171 2.379 . 0 0 "[ . 1 . 2]" 1
2086 1 98 ALA HA 1 99 PHE QD . . 4.770 3.845 3.427 4.152 . 0 0 "[ . 1 . 2]" 1
2087 1 98 ALA HA 1 112 VAL HA . . 4.200 2.287 2.051 2.514 . 0 0 "[ . 1 . 2]" 1
2088 1 98 ALA HA 1 112 VAL MG1 . . 4.250 3.516 3.132 3.899 . 0 0 "[ . 1 . 2]" 1
2089 1 98 ALA HA 1 112 VAL MG2 . . 4.000 3.436 3.174 3.843 . 0 0 "[ . 1 . 2]" 1
2090 1 98 ALA HA 1 113 PHE H . . 4.520 3.456 3.287 3.591 . 0 0 "[ . 1 . 2]" 1
2091 1 98 ALA HA 1 113 PHE QD . . 4.400 3.634 3.174 3.880 . 0 0 "[ . 1 . 2]" 1
2092 1 98 ALA MB 1 99 PHE H . . 3.270 2.801 2.594 3.068 . 0 0 "[ . 1 . 2]" 1
2093 1 98 ALA MB 1 112 VAL HA . . 3.820 2.547 2.208 2.732 . 0 0 "[ . 1 . 2]" 1
2094 1 98 ALA MB 1 112 VAL MG2 . . 3.260 1.939 1.799 2.110 . 0 0 "[ . 1 . 2]" 1
2095 1 98 ALA MB 1 113 PHE H . . 4.330 3.887 3.569 4.079 . 0 0 "[ . 1 . 2]" 1
2096 1 99 PHE H 1 99 PHE QD . . 4.010 3.159 2.968 3.425 . 0 0 "[ . 1 . 2]" 1
2097 1 99 PHE H 1 100 ILE H . . 4.530 4.357 4.253 4.448 . 0 0 "[ . 1 . 2]" 1
2098 1 99 PHE H 1 111 HIS H . . 3.630 3.218 2.927 3.504 . 0 0 "[ . 1 . 2]" 1
2099 1 99 PHE H 1 111 HIS HB2 . . 4.350 3.890 3.620 4.208 . 0 0 "[ . 1 . 2]" 1
2100 1 99 PHE H 1 111 HIS HB3 . . 5.360 5.103 4.717 5.349 . 0 0 "[ . 1 . 2]" 1
2101 1 99 PHE H 1 112 VAL HA . . 4.280 3.907 3.615 4.096 . 0 0 "[ . 1 . 2]" 1
2102 1 99 PHE H 1 112 VAL MG2 . . 4.430 4.205 3.927 4.426 . 0 0 "[ . 1 . 2]" 1
2103 1 99 PHE H 1 113 PHE H . . 5.500 5.450 5.333 5.504 0.004 6 0 "[ . 1 . 2]" 1
2104 1 99 PHE H 1 113 PHE QD . . 4.740 4.585 4.369 4.741 0.001 17 0 "[ . 1 . 2]" 1
2105 1 99 PHE H 1 113 PHE QE . . 4.770 4.447 4.003 4.752 . 0 0 "[ . 1 . 2]" 1
2106 1 99 PHE HA 1 100 ILE H . . 3.530 2.228 2.193 2.325 . 0 0 "[ . 1 . 2]" 1
2107 1 99 PHE HA 1 100 ILE MD . . 4.900 4.471 2.801 4.865 . 0 0 "[ . 1 . 2]" 1
2108 1 99 PHE HA 1 100 ILE QG . . 4.790 3.563 3.347 4.238 . 0 0 "[ . 1 . 2]" 1
2109 1 99 PHE HB2 1 100 ILE H . . 3.930 2.935 2.648 3.063 . 0 0 "[ . 1 . 2]" 1
2110 1 99 PHE HB3 1 100 ILE H . . 4.130 4.071 3.928 4.148 0.018 6 0 "[ . 1 . 2]" 1
2111 1 99 PHE QD 1 100 ILE H . . 4.620 3.547 3.161 3.968 . 0 0 "[ . 1 . 2]" 1
2112 1 99 PHE QD 1 101 MET HB2 . . 4.730 4.412 4.154 4.659 . 0 0 "[ . 1 . 2]" 1
2113 1 99 PHE QD 1 101 MET HB3 . . 4.350 2.742 2.490 3.003 . 0 0 "[ . 1 . 2]" 1
2114 1 99 PHE QE 1 101 MET HB2 . . 4.320 3.945 3.475 4.293 . 0 0 "[ . 1 . 2]" 1
2115 1 99 PHE QE 1 101 MET HB3 . . 4.230 2.505 2.020 2.928 . 0 0 "[ . 1 . 2]" 1
2116 1 99 PHE QE 1 101 MET ME . . 4.170 4.050 3.759 4.170 0.000 6 0 "[ . 1 . 2]" 1
2117 1 99 PHE QE 1 101 MET HG2 . . 4.300 3.244 2.865 3.888 . 0 0 "[ . 1 . 2]" 1
2118 1 99 PHE QE 1 111 HIS HB2 . . 4.460 3.134 2.924 3.336 . 0 0 "[ . 1 . 2]" 1
2119 1 99 PHE QE 1 111 HIS HD2 . . 4.480 2.462 2.082 3.185 . 0 0 "[ . 1 . 2]" 1
2120 1 99 PHE HZ 1 111 HIS HB2 . . 4.640 2.994 2.610 3.362 . 0 0 "[ . 1 . 2]" 1
2121 1 100 ILE H 1 100 ILE HB . . 3.700 2.546 2.462 2.636 . 0 0 "[ . 1 . 2]" 1
2122 1 100 ILE H 1 100 ILE MD . . 4.390 3.445 2.091 3.920 . 0 0 "[ . 1 . 2]" 1
2123 1 100 ILE H 1 100 ILE HG12 . . 4.270 3.918 3.706 4.129 . 0 0 "[ . 1 . 2]" 1
2124 1 100 ILE H 1 100 ILE QG . . 3.540 2.579 2.279 3.141 . 0 0 "[ . 1 . 2]" 1
2125 1 100 ILE H 1 100 ILE HG13 . . 4.270 2.619 2.301 3.255 . 0 0 "[ . 1 . 2]" 1
2126 1 100 ILE H 1 100 ILE MG . . 4.150 3.807 3.771 3.842 . 0 0 "[ . 1 . 2]" 1
2127 1 100 ILE H 1 101 MET H . . 4.480 4.383 4.277 4.491 0.011 13 0 "[ . 1 . 2]" 1
2128 1 100 ILE HA 1 100 ILE MD . . 4.480 3.832 3.383 3.925 . 0 0 "[ . 1 . 2]" 1
2129 1 100 ILE HA 1 101 MET H . . 3.350 2.144 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
2130 1 100 ILE HA 1 110 CYS HA . . 4.540 2.319 2.099 2.583 . 0 0 "[ . 1 . 2]" 1
2131 1 100 ILE HA 1 111 HIS H . . 4.120 3.788 3.504 4.075 . 0 0 "[ . 1 . 2]" 1
2132 1 100 ILE HB 1 100 ILE MD . . 3.270 2.251 2.106 2.361 . 0 0 "[ . 1 . 2]" 1
2133 1 100 ILE HB 1 101 MET H . . 4.430 4.260 4.151 4.349 . 0 0 "[ . 1 . 2]" 1
2134 1 100 ILE MD 1 100 ILE MG . . 3.050 2.308 1.950 3.098 0.048 17 0 "[ . 1 . 2]" 1
2135 1 100 ILE QG 1 110 CYS HA . . 4.000 3.237 2.828 3.601 . 0 0 "[ . 1 . 2]" 1
2136 1 100 ILE QG 1 110 CYS HB2 . . 4.960 2.344 1.980 3.127 . 0 0 "[ . 1 . 2]" 1
2137 1 100 ILE HG12 1 110 CYS HA . . 4.700 3.585 2.891 4.705 0.005 13 0 "[ . 1 . 2]" 1
2138 1 100 ILE HG13 1 110 CYS HA . . 4.700 3.879 3.193 4.432 . 0 0 "[ . 1 . 2]" 1
2139 1 100 ILE MG 1 101 MET H . . 3.640 2.690 2.414 2.922 . 0 0 "[ . 1 . 2]" 1
2140 1 100 ILE MG 1 101 MET HB3 . . 5.090 4.920 4.804 5.087 . 0 0 "[ . 1 . 2]" 1
2141 1 100 ILE MG 1 108 PHE H . . 5.200 4.804 4.430 5.124 . 0 0 "[ . 1 . 2]" 1
2142 1 100 ILE MG 1 108 PHE HB2 . . 3.870 2.584 2.213 2.969 . 0 0 "[ . 1 . 2]" 1
2143 1 100 ILE MG 1 108 PHE HB3 . . 3.590 2.262 1.937 2.450 . 0 0 "[ . 1 . 2]" 1
2144 1 100 ILE MG 1 108 PHE QD . . 3.870 3.220 2.651 3.636 . 0 0 "[ . 1 . 2]" 1
2145 1 100 ILE MG 1 109 GLU H . . 3.910 3.602 3.353 3.899 . 0 0 "[ . 1 . 2]" 1
2146 1 100 ILE MG 1 110 CYS HA . . 4.340 3.722 3.390 4.118 . 0 0 "[ . 1 . 2]" 1
2147 1 101 MET H 1 101 MET HB2 . . 4.000 3.762 3.709 3.825 . 0 0 "[ . 1 . 2]" 1
2148 1 101 MET H 1 101 MET HB3 . . 3.950 2.882 2.650 3.118 . 0 0 "[ . 1 . 2]" 1
2149 1 101 MET H 1 101 MET HG2 . . 3.830 2.539 2.010 3.665 . 0 0 "[ . 1 . 2]" 1
2150 1 101 MET H 1 101 MET HG3 . . 4.370 3.144 2.352 3.613 . 0 0 "[ . 1 . 2]" 1
2151 1 101 MET H 1 109 GLU H . . 3.760 3.459 3.296 3.717 . 0 0 "[ . 1 . 2]" 1
2152 1 101 MET H 1 109 GLU QB . . 4.650 3.987 3.763 4.470 . 0 0 "[ . 1 . 2]" 1
2153 1 101 MET H 1 110 CYS HA . . 4.530 3.362 3.099 3.831 . 0 0 "[ . 1 . 2]" 1
2154 1 101 MET H 1 111 HIS H . . 4.670 4.346 4.129 4.641 . 0 0 "[ . 1 . 2]" 1
2155 1 101 MET HA 1 101 MET ME . . 5.030 4.726 4.328 4.974 . 0 0 "[ . 1 . 2]" 1
2156 1 101 MET HB2 1 102 ASP H . . 4.090 2.561 2.358 2.923 . 0 0 "[ . 1 . 2]" 1
2157 1 101 MET HB3 1 111 HIS HD2 . . 4.640 3.931 3.494 4.574 . 0 0 "[ . 1 . 2]" 1
2158 1 101 MET ME 1 101 MET HG2 . . 3.500 2.995 2.006 3.378 . 0 0 "[ . 1 . 2]" 1
2159 1 101 MET ME 1 101 MET HG3 . . 3.620 2.420 2.048 3.243 . 0 0 "[ . 1 . 2]" 1
2160 1 101 MET ME 1 102 ASP H . . 4.420 4.151 3.625 4.409 . 0 0 "[ . 1 . 2]" 1
2161 1 101 MET ME 1 103 THR HA . . 3.670 3.427 2.819 3.669 . 0 0 "[ . 1 . 2]" 1
2162 1 101 MET ME 1 103 THR HB . . 4.400 4.133 3.836 4.384 . 0 0 "[ . 1 . 2]" 1
2163 1 101 MET ME 1 103 THR MG . . 3.050 2.059 1.782 2.921 . 0 0 "[ . 1 . 2]" 1
2164 1 101 MET ME 1 111 HIS HD2 . . 4.460 4.189 3.807 4.459 . 0 0 "[ . 1 . 2]" 1
2165 1 101 MET HG2 1 109 GLU H . . 4.840 3.783 2.966 4.795 . 0 0 "[ . 1 . 2]" 1
2166 1 101 MET HG2 1 109 GLU QB . . 4.140 3.121 2.396 3.771 . 0 0 "[ . 1 . 2]" 1
2167 1 101 MET HG2 1 111 HIS HD2 . . 4.090 3.000 2.646 3.618 . 0 0 "[ . 1 . 2]" 1
2168 1 101 MET HG3 1 102 ASP H . . 4.500 3.638 3.145 4.043 . 0 0 "[ . 1 . 2]" 1
2169 1 101 MET HG3 1 103 THR H . . 4.490 4.122 3.761 4.490 0.000 4 0 "[ . 1 . 2]" 1
2170 1 101 MET HG3 1 103 THR MG . . 3.700 2.508 1.942 3.541 . 0 0 "[ . 1 . 2]" 1
2171 1 101 MET HG3 1 109 GLU H . . 5.090 3.413 2.909 4.018 . 0 0 "[ . 1 . 2]" 1
2172 1 101 MET HG3 1 109 GLU QB . . 4.390 3.159 2.594 3.829 . 0 0 "[ . 1 . 2]" 1
2173 1 102 ASP H 1 102 ASP QB . . 3.610 2.388 2.191 2.703 . 0 0 "[ . 1 . 2]" 1
2174 1 102 ASP H 1 103 THR H . . 4.720 4.272 4.088 4.418 . 0 0 "[ . 1 . 2]" 1
2175 1 102 ASP H 1 177 TYR QE . . 5.060 4.548 4.153 5.067 0.007 10 0 "[ . 1 . 2]" 1
2176 1 102 ASP HA 1 103 THR H . . 3.230 2.148 2.138 2.168 . 0 0 "[ . 1 . 2]" 1
2177 1 102 ASP HA 1 104 GLY H . . 4.050 3.816 3.345 4.049 . 0 0 "[ . 1 . 2]" 1
2178 1 102 ASP HA 1 108 PHE HA . . 4.370 2.782 2.445 3.159 . 0 0 "[ . 1 . 2]" 1
2179 1 102 ASP HA 1 108 PHE QD . . 4.350 2.258 2.004 2.684 . 0 0 "[ . 1 . 2]" 1
2180 1 102 ASP HA 1 109 GLU H . . 4.110 3.685 3.292 4.109 . 0 0 "[ . 1 . 2]" 1
2181 1 102 ASP QB 1 177 TYR QD . . 4.090 3.752 3.302 4.038 . 0 0 "[ . 1 . 2]" 1
2182 1 102 ASP QB 1 177 TYR QE . . 3.570 2.363 1.956 3.202 . 0 0 "[ . 1 . 2]" 1
2183 1 102 ASP HB2 1 177 TYR QD . . 4.730 4.238 3.394 4.726 . 0 0 "[ . 1 . 2]" 1
2184 1 102 ASP HB2 1 177 TYR QE . . 4.120 2.705 2.037 3.713 . 0 0 "[ . 1 . 2]" 1
2185 1 102 ASP HB3 1 177 TYR QD . . 4.730 4.359 3.460 4.734 0.004 6 0 "[ . 1 . 2]" 1
2186 1 102 ASP HB3 1 177 TYR QE . . 4.120 2.729 2.024 3.497 . 0 0 "[ . 1 . 2]" 1
2187 1 103 THR H 1 103 THR MG . . 3.540 2.606 1.954 2.841 . 0 0 "[ . 1 . 2]" 1
2188 1 103 THR H 1 104 GLY H . . 3.280 2.558 2.172 3.107 . 0 0 "[ . 1 . 2]" 1
2189 1 103 THR H 1 108 PHE HA . . 4.220 2.893 2.331 3.362 . 0 0 "[ . 1 . 2]" 1
2190 1 103 THR H 1 108 PHE QD . . 4.200 3.354 2.620 4.209 0.009 5 0 "[ . 1 . 2]" 1
2191 1 103 THR H 1 109 GLU H . . 4.490 3.585 3.173 4.022 . 0 0 "[ . 1 . 2]" 1
2192 1 103 THR HA 1 103 THR MG . . 3.210 2.350 2.128 2.541 . 0 0 "[ . 1 . 2]" 1
2193 1 103 THR HA 1 104 GLY H . . 3.570 3.258 2.769 3.565 . 0 0 "[ . 1 . 2]" 1
2194 1 103 THR MG 1 104 GLY H . . 4.340 4.059 3.454 4.347 0.007 17 0 "[ . 1 . 2]" 1
2195 1 103 THR MG 1 109 GLU H . . 4.210 3.298 2.572 4.181 . 0 0 "[ . 1 . 2]" 1
2196 1 103 THR MG 1 109 GLU QB . . 4.010 2.655 2.059 3.599 . 0 0 "[ . 1 . 2]" 1
2197 1 103 THR MG 1 109 GLU QG . . 3.490 2.516 1.840 3.268 . 0 0 "[ . 1 . 2]" 1
2198 1 104 GLY H 1 105 ASN H . . 4.620 3.881 3.107 4.359 . 0 0 "[ . 1 . 2]" 1
2199 1 104 GLY QA 1 107 ARG H . . 5.340 4.780 3.847 5.443 0.103 13 0 "[ . 1 . 2]" 1
2200 1 105 ASN H 1 105 ASN HB2 . . 4.200 2.552 2.214 2.836 . 0 0 "[ . 1 . 2]" 1
2201 1 105 ASN H 1 105 ASN HB3 . . 4.200 3.484 2.706 3.818 . 0 0 "[ . 1 . 2]" 1
2202 1 105 ASN H 1 106 GLN H . . 4.810 3.389 2.162 4.553 . 0 0 "[ . 1 . 2]" 1
2203 1 105 ASN H 1 107 ARG H . . 4.200 3.737 3.097 4.218 0.018 3 0 "[ . 1 . 2]" 1
2204 1 105 ASN HA 1 105 ASN HD21 . . 4.900 4.115 3.134 4.487 . 0 0 "[ . 1 . 2]" 1
2205 1 105 ASN HA 1 105 ASN QD . . 4.270 3.798 2.995 4.106 . 0 0 "[ . 1 . 2]" 1
2206 1 105 ASN HA 1 105 ASN HD22 . . 4.900 4.473 3.802 4.795 . 0 0 "[ . 1 . 2]" 1
2207 1 105 ASN HA 1 107 ARG H . . 5.380 4.720 3.984 5.330 . 0 0 "[ . 1 . 2]" 1
2208 1 105 ASN QB 1 105 ASN QD . . 3.010 2.121 2.066 2.335 . 0 0 "[ . 1 . 2]" 1
2209 1 105 ASN QB 1 106 GLN H . . 3.990 2.111 1.896 2.353 . 0 0 "[ . 1 . 2]" 1
2210 1 105 ASN QB 1 107 ARG H . . 4.230 3.347 2.350 4.170 . 0 0 "[ . 1 . 2]" 1
2211 1 105 ASN HB2 1 106 GLN H . . 4.580 2.840 2.187 3.553 . 0 0 "[ . 1 . 2]" 1
2212 1 105 ASN HB3 1 106 GLN H . . 4.580 2.476 1.907 3.627 . 0 0 "[ . 1 . 2]" 1
2213 1 106 GLN H 1 106 GLN HB2 . . 3.830 2.586 2.232 3.531 . 0 0 "[ . 1 . 2]" 1
2214 1 106 GLN H 1 106 GLN QB . . 3.160 2.367 2.209 2.549 . 0 0 "[ . 1 . 2]" 1
2215 1 106 GLN H 1 106 GLN HB3 . . 3.830 3.252 2.243 3.727 . 0 0 "[ . 1 . 2]" 1
2216 1 106 GLN H 1 106 GLN QE . . 4.110 3.452 2.519 4.110 . 0 0 "[ . 1 . 2]" 1
2217 1 106 GLN H 1 106 GLN HG2 . . 5.500 4.073 2.404 4.873 . 0 0 "[ . 1 . 2]" 1
2218 1 106 GLN H 1 106 GLN QG . . 4.760 3.214 2.238 4.186 . 0 0 "[ . 1 . 2]" 1
2219 1 106 GLN H 1 106 GLN HG3 . . 5.500 3.586 2.256 4.796 . 0 0 "[ . 1 . 2]" 1
2220 1 106 GLN H 1 107 ARG H . . 3.040 2.420 1.963 2.898 . 0 0 "[ . 1 . 2]" 1
2221 1 106 GLN H 1 107 ARG QB . . 4.720 4.288 3.764 4.734 0.014 5 0 "[ . 1 . 2]" 1
2222 1 106 GLN H 1 108 PHE QE . . 4.890 4.593 4.141 4.849 . 0 0 "[ . 1 . 2]" 1
2223 1 106 GLN HA 1 106 GLN QE . . 4.530 3.907 1.885 4.506 . 0 0 "[ . 1 . 2]" 1
2224 1 106 GLN HA 1 106 GLN HG2 . . 3.950 3.068 2.603 3.668 . 0 0 "[ . 1 . 2]" 1
2225 1 106 GLN HA 1 106 GLN HG3 . . 3.950 2.739 2.167 3.804 . 0 0 "[ . 1 . 2]" 1
2226 1 106 GLN HA 1 108 PHE QE . . 4.360 2.720 2.284 3.078 . 0 0 "[ . 1 . 2]" 1
2227 1 106 GLN HA 1 108 PHE HZ . . 4.810 2.706 2.353 3.225 . 0 0 "[ . 1 . 2]" 1
2228 1 106 GLN QB 1 106 GLN QE . . 3.660 2.428 1.903 3.429 . 0 0 "[ . 1 . 2]" 1
2229 1 106 GLN QB 1 107 ARG H . . 3.550 2.838 2.453 3.574 0.024 5 0 "[ . 1 . 2]" 1
2230 1 106 GLN HB2 1 107 ARG H . . 4.210 3.307 2.615 4.156 . 0 0 "[ . 1 . 2]" 1
2231 1 106 GLN HB2 1 108 PHE QE . . 5.500 5.076 3.601 5.431 . 0 0 "[ . 1 . 2]" 1
2232 1 106 GLN HB2 1 108 PHE HZ . . 5.500 5.098 3.031 5.494 . 0 0 "[ . 1 . 2]" 1
2233 1 106 GLN HB3 1 107 ARG H . . 4.210 3.408 2.501 4.148 . 0 0 "[ . 1 . 2]" 1
2234 1 106 GLN HB3 1 108 PHE QE . . 5.500 4.605 4.035 5.306 . 0 0 "[ . 1 . 2]" 1
2235 1 106 GLN HB3 1 108 PHE HZ . . 5.500 4.566 3.873 5.495 . 0 0 "[ . 1 . 2]" 1
2236 1 106 GLN HG2 1 108 PHE QE . . 5.500 4.758 3.954 5.488 . 0 0 "[ . 1 . 2]" 1
2237 1 106 GLN HG2 1 108 PHE HZ . . 5.500 4.420 3.235 5.504 0.004 5 0 "[ . 1 . 2]" 1
2238 1 106 GLN HG3 1 108 PHE QE . . 5.500 4.544 3.859 5.381 . 0 0 "[ . 1 . 2]" 1
2239 1 106 GLN HG3 1 108 PHE HZ . . 5.500 4.297 3.154 5.325 . 0 0 "[ . 1 . 2]" 1
2240 1 107 ARG H 1 107 ARG HB2 . . 3.560 2.755 2.179 3.589 0.029 12 0 "[ . 1 . 2]" 1
2241 1 107 ARG H 1 107 ARG QB . . 2.940 2.240 2.158 2.416 . 0 0 "[ . 1 . 2]" 1
2242 1 107 ARG H 1 107 ARG HB3 . . 3.560 3.042 2.263 3.534 . 0 0 "[ . 1 . 2]" 1
2243 1 107 ARG H 1 107 ARG QD . . 3.910 3.305 2.188 3.951 0.041 12 0 "[ . 1 . 2]" 1
2244 1 107 ARG H 1 107 ARG HG2 . . 4.470 3.501 2.289 4.295 . 0 0 "[ . 1 . 2]" 1
2245 1 107 ARG H 1 107 ARG QG . . 3.770 2.796 2.269 3.473 . 0 0 "[ . 1 . 2]" 1
2246 1 107 ARG H 1 107 ARG HG3 . . 4.470 3.402 2.758 4.003 . 0 0 "[ . 1 . 2]" 1
2247 1 107 ARG H 1 108 PHE H . . 4.560 4.428 4.174 4.571 0.011 10 0 "[ . 1 . 2]" 1
2248 1 107 ARG H 1 108 PHE QE . . 4.940 4.673 4.195 4.943 0.003 17 0 "[ . 1 . 2]" 1
2249 1 107 ARG HA 1 107 ARG HD2 . . 5.500 4.490 3.185 5.501 0.001 12 0 "[ . 1 . 2]" 1
2250 1 107 ARG HA 1 107 ARG QD . . 4.820 4.008 3.045 4.429 . 0 0 "[ . 1 . 2]" 1
2251 1 107 ARG HA 1 107 ARG HD3 . . 5.500 4.650 3.147 5.496 . 0 0 "[ . 1 . 2]" 1
2252 1 107 ARG HA 1 107 ARG HG2 . . 3.860 3.208 2.552 3.731 . 0 0 "[ . 1 . 2]" 1
2253 1 107 ARG HA 1 107 ARG HG3 . . 3.860 2.971 2.165 3.869 0.009 17 0 "[ . 1 . 2]" 1
2254 1 107 ARG HA 1 108 PHE H . . 2.950 2.158 2.139 2.201 . 0 0 "[ . 1 . 2]" 1
2255 1 107 ARG QB 1 107 ARG QD . . 2.990 2.170 2.030 2.499 . 0 0 "[ . 1 . 2]" 1
2256 1 107 ARG QB 1 108 PHE H . . 3.690 3.452 3.178 3.703 0.013 20 0 "[ . 1 . 2]" 1
2257 1 107 ARG QG 1 108 PHE H . . 4.220 3.962 3.595 4.176 . 0 0 "[ . 1 . 2]" 1
2258 1 107 ARG HG2 1 108 PHE H . . 4.790 4.598 4.236 4.799 0.009 9 0 "[ . 1 . 2]" 1
2259 1 107 ARG HG3 1 108 PHE H . . 4.790 4.386 3.731 4.811 0.021 16 0 "[ . 1 . 2]" 1
2260 1 108 PHE H 1 108 PHE HB2 . . 3.660 2.778 2.673 2.885 . 0 0 "[ . 1 . 2]" 1
2261 1 108 PHE H 1 108 PHE HB3 . . 3.840 3.768 3.639 3.845 0.005 9 0 "[ . 1 . 2]" 1
2262 1 108 PHE H 1 108 PHE QD . . 3.640 3.322 3.072 3.484 . 0 0 "[ . 1 . 2]" 1
2263 1 108 PHE H 1 108 PHE QE . . 4.860 4.646 4.269 4.839 . 0 0 "[ . 1 . 2]" 1
2264 1 108 PHE H 1 109 GLU H . . 4.660 4.482 4.355 4.591 . 0 0 "[ . 1 . 2]" 1
2265 1 108 PHE HA 1 108 PHE QD . . 4.070 2.327 2.184 2.590 . 0 0 "[ . 1 . 2]" 1
2266 1 108 PHE HA 1 109 GLU H . . 3.270 2.240 2.171 2.366 . 0 0 "[ . 1 . 2]" 1
2267 1 108 PHE HB2 1 109 GLU H . . 4.100 3.758 3.476 3.968 . 0 0 "[ . 1 . 2]" 1
2268 1 108 PHE HB3 1 109 GLU H . . 3.960 2.948 2.601 3.201 . 0 0 "[ . 1 . 2]" 1
2269 1 108 PHE QD 1 109 GLU H . . 4.480 4.190 4.114 4.360 . 0 0 "[ . 1 . 2]" 1
2270 1 109 GLU H 1 109 GLU HB2 . . 4.030 2.589 2.377 3.338 . 0 0 "[ . 1 . 2]" 1
2271 1 109 GLU H 1 109 GLU QB . . 3.520 2.495 2.295 2.634 . 0 0 "[ . 1 . 2]" 1
2272 1 109 GLU H 1 109 GLU HB3 . . 4.030 3.628 2.338 3.751 . 0 0 "[ . 1 . 2]" 1
2273 1 109 GLU H 1 109 GLU HG2 . . 4.320 3.367 2.428 4.249 . 0 0 "[ . 1 . 2]" 1
2274 1 109 GLU H 1 109 GLU QG . . 3.660 2.846 2.394 3.681 0.021 17 0 "[ . 1 . 2]" 1
2275 1 109 GLU H 1 109 GLU HG3 . . 4.320 3.550 2.595 4.343 0.023 17 0 "[ . 1 . 2]" 1
2276 1 109 GLU H 1 110 CYS H . . 4.670 4.482 4.406 4.542 . 0 0 "[ . 1 . 2]" 1
2277 1 109 GLU HA 1 110 CYS H . . 3.400 2.219 2.147 2.339 . 0 0 "[ . 1 . 2]" 1
2278 1 109 GLU QB 1 110 CYS H . . 3.690 2.940 2.557 3.540 . 0 0 "[ . 1 . 2]" 1
2279 1 109 GLU QB 1 110 CYS HA . . 5.190 4.214 4.078 4.865 . 0 0 "[ . 1 . 2]" 1
2280 1 109 GLU QB 1 111 HIS HD2 . . 4.430 3.840 3.100 4.431 0.001 17 0 "[ . 1 . 2]" 1
2281 1 109 GLU HB2 1 110 CYS H . . 4.380 3.991 3.592 4.274 . 0 0 "[ . 1 . 2]" 1
2282 1 109 GLU HB3 1 110 CYS H . . 4.380 3.055 2.617 4.285 . 0 0 "[ . 1 . 2]" 1
2283 1 109 GLU QG 1 110 CYS H . . 5.050 4.143 2.369 4.669 . 0 0 "[ . 1 . 2]" 1
2284 1 110 CYS H 1 110 CYS HB2 . . 3.840 2.887 2.580 3.151 . 0 0 "[ . 1 . 2]" 1
2285 1 110 CYS H 1 110 CYS HB3 . . 3.760 2.726 2.529 2.925 . 0 0 "[ . 1 . 2]" 1
2286 1 110 CYS H 1 110 CYS HG . . 5.010 4.891 4.722 5.010 . 0 0 "[ . 1 . 2]" 1
2287 1 110 CYS H 1 111 HIS H . . 4.590 4.205 4.075 4.423 . 0 0 "[ . 1 . 2]" 1
2288 1 110 CYS HA 1 110 CYS HG . . 3.940 2.771 2.379 3.285 . 0 0 "[ . 1 . 2]" 1
2289 1 110 CYS HA 1 111 HIS H . . 3.230 2.149 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
2290 1 110 CYS HB2 1 111 HIS H . . 4.630 4.448 4.290 4.584 . 0 0 "[ . 1 . 2]" 1
2291 1 110 CYS HB3 1 112 VAL MG2 . . 4.310 4.128 3.910 4.296 . 0 0 "[ . 1 . 2]" 1
2292 1 110 CYS HG 1 111 HIS H . . 3.580 3.201 2.536 3.565 . 0 0 "[ . 1 . 2]" 1
2293 1 111 HIS H 1 111 HIS HB2 . . 3.650 2.504 2.391 2.610 . 0 0 "[ . 1 . 2]" 1
2294 1 111 HIS H 1 111 HIS HB3 . . 3.740 3.661 3.619 3.695 . 0 0 "[ . 1 . 2]" 1
2295 1 111 HIS H 1 111 HIS HD2 . . 3.980 2.985 2.466 3.415 . 0 0 "[ . 1 . 2]" 1
2296 1 111 HIS H 1 112 VAL H . . 4.780 4.519 4.449 4.574 . 0 0 "[ . 1 . 2]" 1
2297 1 111 HIS H 1 112 VAL MG2 . . 4.550 4.441 4.214 4.548 . 0 0 "[ . 1 . 2]" 1
2298 1 111 HIS HA 1 112 VAL H . . 3.300 2.198 2.151 2.296 . 0 0 "[ . 1 . 2]" 1
2299 1 111 HIS HB2 1 112 VAL H . . 4.300 4.056 3.784 4.271 . 0 0 "[ . 1 . 2]" 1
2300 1 111 HIS HB2 1 113 PHE QE . . 4.580 2.189 2.027 2.589 . 0 0 "[ . 1 . 2]" 1
2301 1 111 HIS HB2 1 113 PHE HZ . . 5.340 3.404 2.867 3.856 . 0 0 "[ . 1 . 2]" 1
2302 1 111 HIS HB3 1 112 VAL H . . 4.130 3.069 2.708 3.313 . 0 0 "[ . 1 . 2]" 1
2303 1 111 HIS HB3 1 113 PHE QE . . 4.480 2.347 2.062 2.880 . 0 0 "[ . 1 . 2]" 1
2304 1 111 HIS HB3 1 113 PHE HZ . . 4.500 2.501 2.159 2.949 . 0 0 "[ . 1 . 2]" 1
2305 1 112 VAL H 1 112 VAL HB . . 3.550 2.741 2.603 2.902 . 0 0 "[ . 1 . 2]" 1
2306 1 112 VAL H 1 112 VAL MG1 . . 4.160 3.883 3.835 3.924 . 0 0 "[ . 1 . 2]" 1
2307 1 112 VAL H 1 112 VAL MG2 . . 3.430 2.545 2.293 2.804 . 0 0 "[ . 1 . 2]" 1
2308 1 112 VAL H 1 113 PHE H . . 4.650 4.458 4.335 4.518 . 0 0 "[ . 1 . 2]" 1
2309 1 112 VAL HA 1 112 VAL MG1 . . 3.730 2.262 2.114 2.443 . 0 0 "[ . 1 . 2]" 1
2310 1 112 VAL HA 1 112 VAL MG2 . . 3.640 2.465 2.345 2.609 . 0 0 "[ . 1 . 2]" 1
2311 1 112 VAL HA 1 113 PHE H . . 3.410 2.211 2.154 2.277 . 0 0 "[ . 1 . 2]" 1
2312 1 112 VAL MG1 1 113 PHE H . . 3.670 2.106 1.904 2.371 . 0 0 "[ . 1 . 2]" 1
2313 1 112 VAL MG1 1 113 PHE HA . . 5.110 3.663 3.397 3.936 . 0 0 "[ . 1 . 2]" 1
2314 1 112 VAL MG2 1 113 PHE H . . 4.120 4.060 3.959 4.124 0.004 6 0 "[ . 1 . 2]" 1
2315 1 113 PHE H 1 113 PHE HB2 . . 4.160 2.883 2.811 2.945 . 0 0 "[ . 1 . 2]" 1
2316 1 113 PHE H 1 113 PHE QB . . 3.610 2.812 2.748 2.868 . 0 0 "[ . 1 . 2]" 1
2317 1 113 PHE H 1 113 PHE HB3 . . 4.160 3.908 3.869 3.948 . 0 0 "[ . 1 . 2]" 1
2318 1 113 PHE H 1 113 PHE QD . . 3.740 2.919 2.543 3.284 . 0 0 "[ . 1 . 2]" 1
2319 1 113 PHE H 1 114 TRP H . . 4.660 4.235 4.112 4.319 . 0 0 "[ . 1 . 2]" 1
2320 1 113 PHE HA 1 113 PHE QD . . 4.420 2.996 2.756 3.155 . 0 0 "[ . 1 . 2]" 1
2321 1 113 PHE HA 1 114 TRP H . . 3.420 2.163 2.139 2.208 . 0 0 "[ . 1 . 2]" 1
2322 1 113 PHE QB 1 122 VAL MG1 . . 4.550 4.098 3.899 4.410 . 0 0 "[ . 1 . 2]" 1
2323 1 113 PHE HB2 1 114 TRP H . . 4.550 4.093 3.941 4.278 . 0 0 "[ . 1 . 2]" 1
2324 1 113 PHE HB3 1 114 TRP H . . 4.550 3.235 3.003 3.463 . 0 0 "[ . 1 . 2]" 1
2325 1 113 PHE QD 1 114 TRP H . . 4.450 4.334 4.217 4.452 0.002 7 0 "[ . 1 . 2]" 1
2326 1 114 TRP H 1 114 TRP HB2 . . 3.900 2.634 2.508 2.751 . 0 0 "[ . 1 . 2]" 1
2327 1 114 TRP H 1 114 TRP HB3 . . 3.620 2.532 2.454 2.593 . 0 0 "[ . 1 . 2]" 1
2328 1 114 TRP HA 1 115 CYS H . . 3.390 2.147 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
2329 1 114 TRP HB2 1 115 CYS H . . 4.450 4.327 4.095 4.441 . 0 0 "[ . 1 . 2]" 1
2330 1 114 TRP HB3 1 115 CYS H . . 4.560 4.236 4.077 4.357 . 0 0 "[ . 1 . 2]" 1
2331 1 114 TRP HD1 1 115 CYS H . . 4.700 3.995 3.545 4.254 . 0 0 "[ . 1 . 2]" 1
2332 1 114 TRP HD1 1 116 GLU HG2 . . 4.410 2.730 2.068 3.915 . 0 0 "[ . 1 . 2]" 1
2333 1 114 TRP HD1 1 116 GLU QG . . 3.620 2.214 1.980 3.301 . 0 0 "[ . 1 . 2]" 1
2334 1 114 TRP HD1 1 116 GLU HG3 . . 4.410 2.571 1.999 3.556 . 0 0 "[ . 1 . 2]" 1
2335 1 114 TRP HE1 1 116 GLU QB . . 5.240 4.382 2.438 4.772 . 0 0 "[ . 1 . 2]" 1
2336 1 114 TRP HE1 1 116 GLU HG2 . . 4.280 2.796 2.122 4.023 . 0 0 "[ . 1 . 2]" 1
2337 1 114 TRP HE1 1 116 GLU QG . . 3.680 2.601 2.089 3.679 . 0 0 "[ . 1 . 2]" 1
2338 1 114 TRP HE1 1 116 GLU HG3 . . 4.280 3.518 2.630 4.261 . 0 0 "[ . 1 . 2]" 1
2339 1 115 CYS H 1 115 CYS HB2 . . 3.980 2.507 2.409 2.648 . 0 0 "[ . 1 . 2]" 1
2340 1 115 CYS H 1 115 CYS HB3 . . 3.980 3.662 3.610 3.779 . 0 0 "[ . 1 . 2]" 1
2341 1 115 CYS H 1 115 CYS HG . . 3.580 2.795 2.450 3.141 . 0 0 "[ . 1 . 2]" 1
2342 1 115 CYS H 1 116 GLU H . . 4.770 4.555 4.462 4.603 . 0 0 "[ . 1 . 2]" 1
2343 1 115 CYS H 1 119 ALA MB . . 4.480 3.787 3.442 4.196 . 0 0 "[ . 1 . 2]" 1
2344 1 115 CYS HA 1 116 GLU H . . 3.180 2.359 2.193 2.534 . 0 0 "[ . 1 . 2]" 1
2345 1 115 CYS QB 1 116 GLU H . . 3.550 2.522 2.156 2.973 . 0 0 "[ . 1 . 2]" 1
2346 1 115 CYS QB 1 119 ALA MB . . 3.240 2.425 2.130 2.655 . 0 0 "[ . 1 . 2]" 1
2347 1 115 CYS QB 1 122 VAL MG2 . . 3.720 2.713 2.259 3.039 . 0 0 "[ . 1 . 2]" 1
2348 1 115 CYS HB2 1 116 GLU H . . 4.100 3.692 3.327 4.024 . 0 0 "[ . 1 . 2]" 1
2349 1 115 CYS HB2 1 119 ALA HA . . 3.810 2.693 2.384 2.964 . 0 0 "[ . 1 . 2]" 1
2350 1 115 CYS HB2 1 119 ALA MB . . 3.890 2.479 2.157 2.734 . 0 0 "[ . 1 . 2]" 1
2351 1 115 CYS HB2 1 122 VAL MG2 . . 4.400 3.929 3.467 4.272 . 0 0 "[ . 1 . 2]" 1
2352 1 115 CYS HB3 1 116 GLU H . . 4.100 2.569 2.184 3.063 . 0 0 "[ . 1 . 2]" 1
2353 1 115 CYS HB3 1 119 ALA HA . . 3.810 2.644 2.370 2.941 . 0 0 "[ . 1 . 2]" 1
2354 1 115 CYS HB3 1 119 ALA MB . . 3.890 3.459 3.280 3.628 . 0 0 "[ . 1 . 2]" 1
2355 1 115 CYS HB3 1 122 VAL MG2 . . 4.400 2.767 2.289 3.110 . 0 0 "[ . 1 . 2]" 1
2356 1 115 CYS HG 1 116 GLU H . . 5.100 5.042 4.856 5.105 0.005 17 0 "[ . 1 . 2]" 1
2357 1 115 CYS HG 1 119 ALA HA . . 4.730 4.294 3.849 4.729 . 0 0 "[ . 1 . 2]" 1
2358 1 115 CYS HG 1 119 ALA MB . . 3.640 3.311 2.873 3.640 0.000 1 0 "[ . 1 . 2]" 1
2359 1 115 CYS HG 1 122 VAL MG1 . . 4.460 3.514 3.172 3.937 . 0 0 "[ . 1 . 2]" 1
2360 1 116 GLU H 1 116 GLU HB2 . . 3.980 2.869 2.536 3.788 . 0 0 "[ . 1 . 2]" 1
2361 1 116 GLU H 1 116 GLU QB . . 3.370 2.777 2.494 3.192 . 0 0 "[ . 1 . 2]" 1
2362 1 116 GLU H 1 116 GLU HB3 . . 3.980 3.846 3.437 3.919 . 0 0 "[ . 1 . 2]" 1
2363 1 116 GLU H 1 116 GLU HG2 . . 4.230 3.818 3.058 4.244 0.014 5 0 "[ . 1 . 2]" 1
2364 1 116 GLU H 1 116 GLU QG . . 3.550 3.197 2.103 3.451 . 0 0 "[ . 1 . 2]" 1
2365 1 116 GLU H 1 116 GLU HG3 . . 4.230 3.639 2.113 4.227 . 0 0 "[ . 1 . 2]" 1
2366 1 116 GLU H 1 118 ASN H . . 4.950 4.720 4.480 4.957 0.007 5 0 "[ . 1 . 2]" 1
2367 1 116 GLU HA 1 118 ASN H . . 3.790 3.665 3.590 3.740 . 0 0 "[ . 1 . 2]" 1
2368 1 116 GLU HB2 1 117 PRO HA . . 4.560 4.082 2.766 4.256 . 0 0 "[ . 1 . 2]" 1
2369 1 116 GLU HB3 1 117 PRO HA . . 4.560 2.857 2.626 3.439 . 0 0 "[ . 1 . 2]" 1
2370 1 117 PRO QB 1 118 ASN H . . 3.830 2.855 2.801 2.916 . 0 0 "[ . 1 . 2]" 1
2371 1 117 PRO HD2 1 118 ASN H . . 3.240 2.740 2.710 2.768 . 0 0 "[ . 1 . 2]" 1
2372 1 117 PRO HD3 1 118 ASN H . . 3.920 3.868 3.856 3.879 . 0 0 "[ . 1 . 2]" 1
2373 1 117 PRO QG 1 118 ASN HD22 . . 4.400 2.995 2.569 4.108 . 0 0 "[ . 1 . 2]" 1
2374 1 117 PRO HG2 1 118 ASN H . . 3.610 1.949 1.899 2.009 . 0 0 "[ . 1 . 2]" 1
2375 1 117 PRO HG3 1 118 ASN H . . 3.610 3.567 3.528 3.613 0.003 10 0 "[ . 1 . 2]" 1
2376 1 118 ASN H 1 118 ASN HB2 . . 4.140 3.628 3.564 3.826 . 0 0 "[ . 1 . 2]" 1
2377 1 118 ASN H 1 118 ASN QB . . 3.580 3.102 2.780 3.167 . 0 0 "[ . 1 . 2]" 1
2378 1 118 ASN H 1 118 ASN HB3 . . 4.140 3.380 2.854 3.482 . 0 0 "[ . 1 . 2]" 1
2379 1 118 ASN H 1 118 ASN HD21 . . 4.620 2.788 2.096 4.137 . 0 0 "[ . 1 . 2]" 1
2380 1 118 ASN H 1 119 ALA H . . 4.510 4.420 4.394 4.461 . 0 0 "[ . 1 . 2]" 1
2381 1 118 ASN H 1 120 ALA H . . 4.760 4.097 3.993 4.250 . 0 0 "[ . 1 . 2]" 1
2382 1 118 ASN HA 1 118 ASN HD21 . . 4.690 3.913 3.563 4.330 . 0 0 "[ . 1 . 2]" 1
2383 1 118 ASN HA 1 118 ASN HD22 . . 5.190 4.993 4.842 5.200 0.010 17 0 "[ . 1 . 2]" 1
2384 1 118 ASN HA 1 164 LEU QD . . 4.560 3.963 3.612 4.211 . 0 0 "[ . 1 . 2]" 1
2385 1 118 ASN QB 1 119 ALA H . . 3.450 2.028 1.946 2.213 . 0 0 "[ . 1 . 2]" 1
2386 1 118 ASN QB 1 120 ALA H . . 4.540 3.097 2.624 3.928 . 0 0 "[ . 1 . 2]" 1
2387 1 118 ASN QB 1 164 LEU QD . . 3.970 2.097 1.863 2.465 . 0 0 "[ . 1 . 2]" 1
2388 1 118 ASN HB2 1 119 ALA H . . 4.070 2.047 1.963 2.231 . 0 0 "[ . 1 . 2]" 1
2389 1 118 ASN HB3 1 119 ALA H . . 4.070 3.282 3.198 3.674 . 0 0 "[ . 1 . 2]" 1
2390 1 118 ASN HD21 1 119 ALA H . . 4.740 3.604 3.100 4.721 . 0 0 "[ . 1 . 2]" 1
2391 1 118 ASN HD21 1 164 LEU QD . . 4.060 3.059 1.814 4.040 . 0 0 "[ . 1 . 2]" 1
2392 1 118 ASN HD22 1 119 ALA H . . 5.490 5.070 4.659 5.268 . 0 0 "[ . 1 . 2]" 1
2393 1 118 ASN HD22 1 120 ALA MB . . 4.140 2.417 1.804 2.741 . 0 0 "[ . 1 . 2]" 1
2394 1 118 ASN HD22 1 121 ASN H . . 4.950 4.304 3.952 4.750 . 0 0 "[ . 1 . 2]" 1
2395 1 118 ASN HD22 1 164 LEU QD . . 4.080 3.581 2.559 4.087 0.007 12 0 "[ . 1 . 2]" 1
2396 1 119 ALA H 1 119 ALA MB . . 3.270 2.313 2.168 2.379 . 0 0 "[ . 1 . 2]" 1
2397 1 119 ALA H 1 120 ALA H . . 4.490 3.105 2.854 3.292 . 0 0 "[ . 1 . 2]" 1
2398 1 119 ALA H 1 120 ALA HA . . 4.790 4.707 4.604 4.784 . 0 0 "[ . 1 . 2]" 1
2399 1 119 ALA H 1 164 LEU QD . . 3.770 2.339 1.880 2.642 . 0 0 "[ . 1 . 2]" 1
2400 1 119 ALA H 1 164 LEU HG . . 5.310 4.963 4.217 5.313 0.003 10 0 "[ . 1 . 2]" 1
2401 1 119 ALA HA 1 122 VAL H . . 4.790 3.497 3.206 3.891 . 0 0 "[ . 1 . 2]" 1
2402 1 119 ALA HA 1 122 VAL HB . . 4.320 2.884 2.470 3.157 . 0 0 "[ . 1 . 2]" 1
2403 1 119 ALA HA 1 122 VAL MG1 . . 4.540 4.265 3.886 4.541 0.001 20 0 "[ . 1 . 2]" 1
2404 1 119 ALA HA 1 122 VAL MG2 . . 4.290 3.052 2.546 3.445 . 0 0 "[ . 1 . 2]" 1
2405 1 119 ALA MB 1 120 ALA H . . 4.550 3.695 3.634 3.717 . 0 0 "[ . 1 . 2]" 1
2406 1 119 ALA MB 1 122 VAL MG1 . . 4.250 3.532 3.111 3.980 . 0 0 "[ . 1 . 2]" 1
2407 1 119 ALA MB 1 123 SER H . . 4.340 3.210 2.716 3.490 . 0 0 "[ . 1 . 2]" 1
2408 1 119 ALA MB 1 123 SER QB . . 4.030 3.169 2.348 3.687 . 0 0 "[ . 1 . 2]" 1
2409 1 119 ALA MB 1 164 LEU QD . . 3.170 2.528 2.174 2.857 . 0 0 "[ . 1 . 2]" 1
2410 1 120 ALA H 1 120 ALA MB . . 3.170 2.185 2.033 2.302 . 0 0 "[ . 1 . 2]" 1
2411 1 120 ALA H 1 121 ASN H . . 3.850 2.580 2.365 2.999 . 0 0 "[ . 1 . 2]" 1
2412 1 120 ALA H 1 164 LEU MD1 . . 4.250 3.571 2.970 4.183 . 0 0 "[ . 1 . 2]" 1
2413 1 120 ALA H 1 164 LEU QD . . 3.580 2.843 2.339 3.293 . 0 0 "[ . 1 . 2]" 1
2414 1 120 ALA H 1 164 LEU MD2 . . 4.250 3.032 2.368 3.460 . 0 0 "[ . 1 . 2]" 1
2415 1 120 ALA HA 1 123 SER H . . 4.720 4.171 3.757 4.489 . 0 0 "[ . 1 . 2]" 1
2416 1 120 ALA HA 1 163 HIS HD2 . . 4.020 2.766 2.251 3.355 . 0 0 "[ . 1 . 2]" 1
2417 1 120 ALA HA 1 164 LEU MD1 . . 3.740 3.343 2.656 3.737 . 0 0 "[ . 1 . 2]" 1
2418 1 120 ALA HA 1 164 LEU QD . . 3.160 2.283 1.921 2.644 . 0 0 "[ . 1 . 2]" 1
2419 1 120 ALA HA 1 164 LEU MD2 . . 3.740 2.369 1.934 2.942 . 0 0 "[ . 1 . 2]" 1
2420 1 120 ALA HA 1 164 LEU HG . . 4.450 2.866 2.332 4.456 0.006 12 0 "[ . 1 . 2]" 1
2421 1 120 ALA MB 1 121 ASN H . . 3.390 2.344 2.068 2.544 . 0 0 "[ . 1 . 2]" 1
2422 1 120 ALA MB 1 121 ASN HD21 . . 4.860 3.610 2.425 4.744 . 0 0 "[ . 1 . 2]" 1
2423 1 120 ALA MB 1 121 ASN HD22 . . 4.860 3.748 3.092 4.248 . 0 0 "[ . 1 . 2]" 1
2424 1 120 ALA MB 1 160 GLU HA . . 4.280 3.330 2.415 3.827 . 0 0 "[ . 1 . 2]" 1
2425 1 120 ALA MB 1 160 GLU QB . . 3.150 2.793 2.016 3.108 . 0 0 "[ . 1 . 2]" 1
2426 1 120 ALA MB 1 160 GLU HG2 . . 4.980 3.605 2.345 4.843 . 0 0 "[ . 1 . 2]" 1
2427 1 120 ALA MB 1 160 GLU QG . . 4.260 3.155 2.324 4.094 . 0 0 "[ . 1 . 2]" 1
2428 1 120 ALA MB 1 160 GLU HG3 . . 4.980 3.941 2.440 4.974 . 0 0 "[ . 1 . 2]" 1
2429 1 120 ALA MB 1 163 HIS HD2 . . 3.720 3.380 2.413 3.716 . 0 0 "[ . 1 . 2]" 1
2430 1 120 ALA MB 1 164 LEU MD1 . . 3.370 2.285 1.907 3.376 0.006 12 0 "[ . 1 . 2]" 1
2431 1 120 ALA MB 1 164 LEU QD . . 2.850 2.126 1.845 2.797 . 0 0 "[ . 1 . 2]" 1
2432 1 120 ALA MB 1 164 LEU MD2 . . 3.370 2.915 1.853 3.361 . 0 0 "[ . 1 . 2]" 1
2433 1 120 ALA MB 1 164 LEU HG . . 3.440 2.938 2.454 3.453 0.013 12 0 "[ . 1 . 2]" 1
2434 1 121 ASN H 1 121 ASN HB2 . . 4.050 2.534 2.232 2.808 . 0 0 "[ . 1 . 2]" 1
2435 1 121 ASN H 1 121 ASN QB . . 3.380 2.480 2.209 2.710 . 0 0 "[ . 1 . 2]" 1
2436 1 121 ASN H 1 121 ASN HB3 . . 4.050 3.576 3.525 3.618 . 0 0 "[ . 1 . 2]" 1
2437 1 121 ASN H 1 121 ASN HD21 . . 4.600 2.942 1.836 4.293 . 0 0 "[ . 1 . 2]" 1
2438 1 121 ASN H 1 121 ASN QD . . 3.990 2.751 1.821 3.811 . 0 0 "[ . 1 . 2]" 1
2439 1 121 ASN H 1 121 ASN HD22 . . 4.600 3.734 2.972 4.289 . 0 0 "[ . 1 . 2]" 1
2440 1 121 ASN H 1 122 VAL H . . 4.060 2.654 2.416 2.897 . 0 0 "[ . 1 . 2]" 1
2441 1 121 ASN H 1 122 VAL MG2 . . 4.630 4.178 3.870 4.430 . 0 0 "[ . 1 . 2]" 1
2442 1 121 ASN H 1 123 SER H . . 5.500 4.453 4.202 4.876 . 0 0 "[ . 1 . 2]" 1
2443 1 121 ASN H 1 124 GLU QB . . 5.340 4.393 4.087 4.810 . 0 0 "[ . 1 . 2]" 1
2444 1 121 ASN HA 1 121 ASN HD21 . . 4.510 3.208 2.240 4.044 . 0 0 "[ . 1 . 2]" 1
2445 1 121 ASN HA 1 121 ASN QD . . 3.860 3.069 2.219 3.742 . 0 0 "[ . 1 . 2]" 1
2446 1 121 ASN HA 1 121 ASN HD22 . . 4.510 4.060 3.598 4.504 . 0 0 "[ . 1 . 2]" 1
2447 1 121 ASN HA 1 124 GLU HB2 . . 4.310 3.510 3.112 4.310 . 0 0 "[ . 1 . 2]" 1
2448 1 121 ASN HA 1 124 GLU QB . . 3.520 2.368 2.026 2.983 . 0 0 "[ . 1 . 2]" 1
2449 1 121 ASN HA 1 124 GLU HB3 . . 4.310 2.409 2.046 3.042 . 0 0 "[ . 1 . 2]" 1
2450 1 121 ASN HA 1 124 GLU QG . . 4.730 3.897 2.491 4.511 . 0 0 "[ . 1 . 2]" 1
2451 1 121 ASN QB 1 121 ASN QD . . 3.020 2.257 2.083 2.433 . 0 0 "[ . 1 . 2]" 1
2452 1 121 ASN QB 1 122 VAL H . . 4.030 2.489 2.097 3.046 . 0 0 "[ . 1 . 2]" 1
2453 1 121 ASN HB2 1 122 VAL H . . 4.600 2.548 2.116 3.149 . 0 0 "[ . 1 . 2]" 1
2454 1 121 ASN HB3 1 122 VAL H . . 4.600 3.599 3.227 4.051 . 0 0 "[ . 1 . 2]" 1
2455 1 122 VAL H 1 122 VAL HB . . 3.640 2.539 2.362 2.681 . 0 0 "[ . 1 . 2]" 1
2456 1 122 VAL H 1 122 VAL MG1 . . 3.980 3.760 3.722 3.782 . 0 0 "[ . 1 . 2]" 1
2457 1 122 VAL H 1 122 VAL MG2 . . 3.420 2.272 1.941 2.697 . 0 0 "[ . 1 . 2]" 1
2458 1 122 VAL H 1 123 SER H . . 4.230 2.903 2.456 3.095 . 0 0 "[ . 1 . 2]" 1
2459 1 122 VAL HA 1 122 VAL MG1 . . 3.490 2.414 2.302 2.472 . 0 0 "[ . 1 . 2]" 1
2460 1 122 VAL HA 1 122 VAL MG2 . . 3.200 2.283 2.174 2.362 . 0 0 "[ . 1 . 2]" 1
2461 1 122 VAL HA 1 125 ALA H . . 4.150 3.614 3.377 3.766 . 0 0 "[ . 1 . 2]" 1
2462 1 122 VAL HA 1 125 ALA MB . . 3.520 3.009 2.690 3.244 . 0 0 "[ . 1 . 2]" 1
2463 1 122 VAL HA 1 126 VAL MG1 . . 4.790 4.549 4.270 4.713 . 0 0 "[ . 1 . 2]" 1
2464 1 122 VAL HB 1 123 SER H . . 3.830 2.272 2.054 2.590 . 0 0 "[ . 1 . 2]" 1
2465 1 122 VAL MG1 1 123 SER H . . 3.870 3.058 2.594 3.327 . 0 0 "[ . 1 . 2]" 1
2466 1 122 VAL MG1 1 123 SER HA . . 4.400 3.238 2.923 3.400 . 0 0 "[ . 1 . 2]" 1
2467 1 122 VAL MG1 1 123 SER QB . . 4.460 4.185 3.510 4.463 0.003 10 0 "[ . 1 . 2]" 1
2468 1 122 VAL MG1 1 125 ALA MB . . 4.350 3.981 3.738 4.322 . 0 0 "[ . 1 . 2]" 1
2469 1 122 VAL MG1 1 126 VAL HB . . 5.090 3.916 3.602 4.474 . 0 0 "[ . 1 . 2]" 1
2470 1 122 VAL MG1 1 126 VAL MG1 . . 3.420 3.263 2.884 3.419 . 0 0 "[ . 1 . 2]" 1
2471 1 122 VAL MG2 1 123 SER H . . 4.090 3.740 3.609 3.951 . 0 0 "[ . 1 . 2]" 1
2472 1 123 SER H 1 123 SER HB2 . . 4.000 2.635 2.184 3.616 . 0 0 "[ . 1 . 2]" 1
2473 1 123 SER H 1 123 SER HB3 . . 4.000 3.193 2.240 3.593 . 0 0 "[ . 1 . 2]" 1
2474 1 123 SER H 1 124 GLU H . . 3.710 2.655 2.418 2.817 . 0 0 "[ . 1 . 2]" 1
2475 1 123 SER HA 1 126 VAL H . . 4.400 3.629 3.512 3.768 . 0 0 "[ . 1 . 2]" 1
2476 1 123 SER HA 1 126 VAL HB . . 4.210 4.120 3.903 4.207 . 0 0 "[ . 1 . 2]" 1
2477 1 123 SER HA 1 126 VAL MG1 . . 4.140 1.914 1.864 1.977 . 0 0 "[ . 1 . 2]" 1
2478 1 123 SER HA 1 167 MET ME . . 4.250 3.960 3.183 4.187 . 0 0 "[ . 1 . 2]" 1
2479 1 123 SER QB 1 167 MET ME . . 3.610 2.723 2.155 3.606 . 0 0 "[ . 1 . 2]" 1
2480 1 124 GLU H 1 124 GLU HB2 . . 3.380 2.725 2.490 3.513 0.133 12 0 "[ . 1 . 2]" 1
2481 1 124 GLU H 1 124 GLU HB3 . . 3.380 2.400 2.214 2.575 . 0 0 "[ . 1 . 2]" 1
2482 1 124 GLU H 1 124 GLU HG2 . . 4.630 4.336 2.819 4.613 . 0 0 "[ . 1 . 2]" 1
2483 1 124 GLU H 1 124 GLU HG3 . . 4.630 4.444 3.980 4.584 . 0 0 "[ . 1 . 2]" 1
2484 1 124 GLU H 1 125 ALA H . . 3.440 2.583 2.301 2.718 . 0 0 "[ . 1 . 2]" 1
2485 1 124 GLU H 1 126 VAL MG1 . . 5.310 3.963 3.678 4.165 . 0 0 "[ . 1 . 2]" 1
2486 1 124 GLU HA 1 124 GLU HG2 . . 3.930 3.449 3.008 3.887 . 0 0 "[ . 1 . 2]" 1
2487 1 124 GLU HA 1 124 GLU QG . . 3.370 2.667 2.423 3.261 . 0 0 "[ . 1 . 2]" 1
2488 1 124 GLU HA 1 124 GLU HG3 . . 3.930 2.790 2.476 3.578 . 0 0 "[ . 1 . 2]" 1
2489 1 124 GLU HA 1 127 GLN H . . 4.510 3.752 3.512 3.980 . 0 0 "[ . 1 . 2]" 1
2490 1 124 GLU HA 1 127 GLN QB . . 4.020 2.765 2.347 3.761 . 0 0 "[ . 1 . 2]" 1
2491 1 124 GLU HA 1 128 ALA H . . 4.480 3.961 3.681 4.391 . 0 0 "[ . 1 . 2]" 1
2492 1 124 GLU HA 1 163 HIS HE1 . . 4.020 3.738 3.151 4.012 . 0 0 "[ . 1 . 2]" 1
2493 1 124 GLU QB 1 125 ALA H . . 3.360 2.694 2.450 3.306 . 0 0 "[ . 1 . 2]" 1
2494 1 124 GLU HB2 1 125 ALA H . . 4.150 3.983 3.806 4.127 . 0 0 "[ . 1 . 2]" 1
2495 1 124 GLU HB3 1 125 ALA H . . 4.150 2.746 2.480 3.541 . 0 0 "[ . 1 . 2]" 1
2496 1 124 GLU QG 1 125 ALA H . . 3.730 3.430 1.909 3.699 . 0 0 "[ . 1 . 2]" 1
2497 1 125 ALA H 1 125 ALA MB . . 2.940 2.139 2.029 2.240 . 0 0 "[ . 1 . 2]" 1
2498 1 125 ALA H 1 126 VAL H . . 3.370 2.692 2.473 2.813 . 0 0 "[ . 1 . 2]" 1
2499 1 125 ALA H 1 126 VAL MG1 . . 3.920 3.656 3.466 3.792 . 0 0 "[ . 1 . 2]" 1
2500 1 125 ALA H 1 127 GLN H . . 4.490 4.066 3.847 4.288 . 0 0 "[ . 1 . 2]" 1
2501 1 125 ALA H 1 128 ALA H . . 5.040 4.830 4.575 5.043 0.003 8 0 "[ . 1 . 2]" 1
2502 1 125 ALA HA 1 128 ALA H . . 4.040 3.852 3.622 4.033 . 0 0 "[ . 1 . 2]" 1
2503 1 125 ALA MB 1 126 VAL H . . 3.430 2.423 2.247 2.666 . 0 0 "[ . 1 . 2]" 1
2504 1 125 ALA MB 1 126 VAL HB . . 4.700 3.960 3.859 4.146 . 0 0 "[ . 1 . 2]" 1
2505 1 126 VAL H 1 126 VAL HB . . 3.520 2.600 2.520 2.678 . 0 0 "[ . 1 . 2]" 1
2506 1 126 VAL H 1 126 VAL MG1 . . 3.140 1.955 1.885 2.081 . 0 0 "[ . 1 . 2]" 1
2507 1 126 VAL H 1 127 GLN H . . 3.660 2.687 2.538 2.787 . 0 0 "[ . 1 . 2]" 1
2508 1 126 VAL HA 1 126 VAL MG2 . . 3.080 2.397 2.244 2.459 . 0 0 "[ . 1 . 2]" 1
2509 1 126 VAL HA 1 128 ALA H . . 5.070 4.615 4.298 4.864 . 0 0 "[ . 1 . 2]" 1
2510 1 126 VAL HA 1 129 ALA H . . 3.760 3.469 3.190 3.692 . 0 0 "[ . 1 . 2]" 1
2511 1 126 VAL HA 1 129 ALA MB . . 3.500 2.340 1.955 2.613 . 0 0 "[ . 1 . 2]" 1
2512 1 126 VAL MG1 1 127 GLN H . . 4.020 1.922 1.773 2.119 . 0 0 "[ . 1 . 2]" 1
2513 1 126 VAL MG1 1 127 GLN HA . . 4.820 3.197 3.062 3.349 . 0 0 "[ . 1 . 2]" 1
2514 1 126 VAL MG1 1 128 ALA H . . 4.540 4.289 3.987 4.442 . 0 0 "[ . 1 . 2]" 1
2515 1 126 VAL MG1 1 167 MET ME . . 4.130 3.503 2.892 3.696 . 0 0 "[ . 1 . 2]" 1
2516 1 126 VAL MG2 1 127 GLN HA . . 5.340 3.563 3.332 3.854 . 0 0 "[ . 1 . 2]" 1
2517 1 126 VAL MG2 1 130 CYS H . . 4.890 4.368 3.882 4.792 . 0 0 "[ . 1 . 2]" 1
2518 1 126 VAL MG2 1 130 CYS HG . . 3.490 3.200 2.652 3.490 0.000 9 0 "[ . 1 . 2]" 1
2519 1 127 GLN H 1 127 GLN HB2 . . 4.090 2.672 2.299 3.537 . 0 0 "[ . 1 . 2]" 1
2520 1 127 GLN H 1 127 GLN QB . . 3.480 2.228 2.172 2.250 . 0 0 "[ . 1 . 2]" 1
2521 1 127 GLN H 1 127 GLN HB3 . . 4.090 2.486 2.193 2.787 . 0 0 "[ . 1 . 2]" 1
2522 1 127 GLN H 1 127 GLN HG2 . . 4.740 4.213 2.662 4.640 . 0 0 "[ . 1 . 2]" 1
2523 1 127 GLN H 1 127 GLN QG . . 4.170 3.774 2.614 4.039 . 0 0 "[ . 1 . 2]" 1
2524 1 127 GLN H 1 127 GLN HG3 . . 4.740 4.351 3.785 4.551 . 0 0 "[ . 1 . 2]" 1
2525 1 127 GLN H 1 128 ALA H . . 3.510 2.839 2.678 3.005 . 0 0 "[ . 1 . 2]" 1
2526 1 127 GLN H 1 129 ALA H . . 4.410 4.089 3.883 4.285 . 0 0 "[ . 1 . 2]" 1
2527 1 127 GLN H 1 167 MET ME . . 4.620 4.316 4.005 4.544 . 0 0 "[ . 1 . 2]" 1
2528 1 127 GLN HA 1 127 GLN HG2 . . 4.080 3.333 2.822 3.883 . 0 0 "[ . 1 . 2]" 1
2529 1 127 GLN HA 1 127 GLN HG3 . . 4.080 2.800 2.272 3.614 . 0 0 "[ . 1 . 2]" 1
2530 1 127 GLN HA 1 130 CYS H . . 4.290 3.998 3.821 4.235 . 0 0 "[ . 1 . 2]" 1
2531 1 127 GLN HA 1 130 CYS HG . . 4.450 3.053 2.393 3.679 . 0 0 "[ . 1 . 2]" 1
2532 1 127 GLN HA 1 167 MET ME . . 4.170 4.051 3.741 4.164 . 0 0 "[ . 1 . 2]" 1
2533 1 127 GLN HA 1 172 TYR QD . . 4.750 4.123 3.723 4.488 . 0 0 "[ . 1 . 2]" 1
2534 1 127 GLN HA 1 172 TYR QE . . 4.790 4.384 4.026 4.786 . 0 0 "[ . 1 . 2]" 1
2535 1 127 GLN QB 1 128 ALA H . . 3.390 2.514 2.224 3.388 . 0 0 "[ . 1 . 2]" 1
2536 1 127 GLN HB2 1 128 ALA H . . 4.050 3.790 3.577 3.964 . 0 0 "[ . 1 . 2]" 1
2537 1 127 GLN HB3 1 128 ALA H . . 4.050 2.577 2.242 3.678 . 0 0 "[ . 1 . 2]" 1
2538 1 127 GLN QE 1 167 MET ME . . 3.610 2.645 1.830 3.582 . 0 0 "[ . 1 . 2]" 1
2539 1 127 GLN HE21 1 167 MET ME . . 4.190 2.873 1.943 4.133 . 0 0 "[ . 1 . 2]" 1
2540 1 127 GLN HE22 1 167 MET ME . . 4.190 3.290 2.235 4.084 . 0 0 "[ . 1 . 2]" 1
2541 1 127 GLN QG 1 128 ALA H . . 3.950 3.161 1.887 3.924 . 0 0 "[ . 1 . 2]" 1
2542 1 127 GLN QG 1 167 MET ME . . 4.650 3.501 2.721 4.593 . 0 0 "[ . 1 . 2]" 1
2543 1 127 GLN QG 1 172 TYR QE . . 4.880 3.778 2.755 4.654 . 0 0 "[ . 1 . 2]" 1
2544 1 128 ALA H 1 128 ALA MB . . 2.900 2.211 2.111 2.251 . 0 0 "[ . 1 . 2]" 1
2545 1 128 ALA H 1 129 ALA H . . 3.300 2.622 2.456 2.769 . 0 0 "[ . 1 . 2]" 1
2546 1 128 ALA H 1 130 CYS H . . 4.490 4.329 4.032 4.486 . 0 0 "[ . 1 . 2]" 1
2547 1 128 ALA HA 1 131 SER H . . 4.230 3.426 3.121 3.725 . 0 0 "[ . 1 . 2]" 1
2548 1 128 ALA MB 1 131 SER H . . 5.040 4.458 4.311 4.599 . 0 0 "[ . 1 . 2]" 1
2549 1 129 ALA H 1 129 ALA MB . . 2.820 2.178 2.052 2.256 . 0 0 "[ . 1 . 2]" 1
2550 1 129 ALA H 1 130 CYS HG . . 4.610 4.404 4.198 4.602 . 0 0 "[ . 1 . 2]" 1
2551 1 129 ALA H 1 131 SER H . . 4.940 4.582 4.305 4.907 . 0 0 "[ . 1 . 2]" 1
2552 1 129 ALA MB 1 130 CYS H . . 3.200 2.629 2.412 3.010 . 0 0 "[ . 1 . 2]" 1
2553 1 129 ALA MB 1 130 CYS HG . . 4.090 3.460 2.906 3.961 . 0 0 "[ . 1 . 2]" 1
2554 1 129 ALA MB 1 131 SER H . . 5.470 4.689 4.344 4.961 . 0 0 "[ . 1 . 2]" 1
2555 1 130 CYS H 1 130 CYS HB2 . . 3.680 2.595 2.390 3.598 . 0 0 "[ . 1 . 2]" 1
2556 1 130 CYS H 1 130 CYS QB . . 3.150 2.505 2.357 2.758 . 0 0 "[ . 1 . 2]" 1
2557 1 130 CYS H 1 130 CYS HB3 . . 3.680 3.558 2.865 3.625 . 0 0 "[ . 1 . 2]" 1
2558 1 130 CYS H 1 130 CYS HG . . 3.250 2.292 2.110 2.861 . 0 0 "[ . 1 . 2]" 1
2559 1 130 CYS H 1 131 SER H . . 3.210 2.834 2.452 3.051 . 0 0 "[ . 1 . 2]" 1
2560 1 130 CYS H 1 132 GLY H . . 4.520 4.350 4.149 4.510 . 0 0 "[ . 1 . 2]" 1
2561 1 130 CYS HA 1 130 CYS HG . . 4.340 3.410 3.026 4.134 . 0 0 "[ . 1 . 2]" 1
2562 1 130 CYS QB 1 131 SER H . . 3.430 2.428 2.083 3.214 . 0 0 "[ . 1 . 2]" 1
2563 1 130 CYS QB 1 172 TYR QE . . 3.660 2.794 2.062 3.435 . 0 0 "[ . 1 . 2]" 1
2564 1 130 CYS HB2 1 131 SER H . . 4.010 2.481 2.109 3.421 . 0 0 "[ . 1 . 2]" 1
2565 1 130 CYS HB2 1 172 TYR QE . . 4.180 3.190 2.334 3.930 . 0 0 "[ . 1 . 2]" 1
2566 1 130 CYS HB3 1 131 SER H . . 4.010 3.499 3.216 3.903 . 0 0 "[ . 1 . 2]" 1
2567 1 130 CYS HB3 1 172 TYR QE . . 4.180 3.126 2.296 3.790 . 0 0 "[ . 1 . 2]" 1
2568 1 130 CYS HG 1 131 SER H . . 4.730 4.482 3.073 4.695 . 0 0 "[ . 1 . 2]" 1
2569 1 130 CYS HG 1 172 TYR QE . . 4.360 3.880 3.274 4.350 . 0 0 "[ . 1 . 2]" 1
2570 1 131 SER H 1 131 SER HB2 . . 3.710 2.815 2.247 3.651 . 0 0 "[ . 1 . 2]" 1
2571 1 131 SER H 1 131 SER QB . . 3.180 2.444 2.173 3.028 . 0 0 "[ . 1 . 2]" 1
2572 1 131 SER H 1 131 SER HB3 . . 3.710 2.939 2.454 3.727 0.017 16 0 "[ . 1 . 2]" 1
2573 1 131 SER H 1 132 GLY H . . 3.400 2.737 2.211 3.044 . 0 0 "[ . 1 . 2]" 1
2574 1 131 SER QB 1 132 GLY H . . 4.000 3.149 2.205 4.050 0.050 17 0 "[ . 1 . 2]" 1
2575 1 131 SER HB2 1 132 GLY H . . 4.590 3.838 2.465 4.586 . 0 0 "[ . 1 . 2]" 1
2576 1 131 SER HB3 1 132 GLY H . . 4.590 3.520 2.222 4.593 0.003 17 0 "[ . 1 . 2]" 1
2577 1 132 GLY H 1 133 PRO HD2 . . 5.500 4.183 2.126 4.824 . 0 0 "[ . 1 . 2]" 1
2578 1 132 GLY H 1 133 PRO QD . . 4.700 3.786 2.101 4.359 . 0 0 "[ . 1 . 2]" 1
2579 1 132 GLY H 1 133 PRO HD3 . . 5.500 4.504 3.176 5.090 . 0 0 "[ . 1 . 2]" 1
2580 1 132 GLY QA 1 133 PRO QD . . 2.540 1.983 1.842 2.264 . 0 0 "[ . 1 . 2]" 1
2581 1 134 SER H 1 134 SER HB2 . . 4.200 2.755 2.268 3.795 . 0 0 "[ . 1 . 2]" 1
2582 1 134 SER H 1 134 SER QB . . 3.640 2.486 2.243 3.165 . 0 0 "[ . 1 . 2]" 1
2583 1 134 SER H 1 134 SER HB3 . . 4.200 3.202 2.375 3.934 . 0 0 "[ . 1 . 2]" 1
2584 1 134 SER QB 1 135 SER H . . 3.810 2.787 2.183 3.778 . 0 0 "[ . 1 . 2]" 1
2585 1 134 SER HB2 1 135 SER H . . 4.370 3.703 2.365 4.363 . 0 0 "[ . 1 . 2]" 1
2586 1 134 SER HB3 1 135 SER H . . 4.370 3.050 2.214 4.301 . 0 0 "[ . 1 . 2]" 1
2587 1 136 GLY QA 1 137 ILE H . . 3.070 2.210 2.110 2.602 . 0 0 "[ . 1 . 2]" 1
2588 1 137 ILE H 1 137 ILE HB . . 3.280 2.576 2.492 2.669 . 0 0 "[ . 1 . 2]" 1
2589 1 137 ILE H 1 137 ILE HG12 . . 4.150 3.379 1.932 4.084 . 0 0 "[ . 1 . 2]" 1
2590 1 137 ILE H 1 137 ILE QG . . 3.440 2.528 1.905 3.138 . 0 0 "[ . 1 . 2]" 1
2591 1 137 ILE H 1 137 ILE HG13 . . 4.150 3.048 1.917 4.126 . 0 0 "[ . 1 . 2]" 1
2592 1 137 ILE H 1 137 ILE MG . . 3.850 3.805 3.763 3.866 0.016 15 0 "[ . 1 . 2]" 1
2593 1 137 ILE H 1 138 GLU H . . 4.480 4.387 3.422 4.488 0.008 4 0 "[ . 1 . 2]" 1
2594 1 137 ILE HA 1 137 ILE MD . . 4.460 3.172 1.954 3.916 . 0 0 "[ . 1 . 2]" 1
2595 1 137 ILE HA 1 137 ILE HG12 . . 4.060 2.952 2.616 3.534 . 0 0 "[ . 1 . 2]" 1
2596 1 137 ILE HA 1 137 ILE QG . . 3.560 2.601 2.295 3.079 . 0 0 "[ . 1 . 2]" 1
2597 1 137 ILE HA 1 137 ILE HG13 . . 4.060 3.079 2.326 3.803 . 0 0 "[ . 1 . 2]" 1
2598 1 137 ILE HA 1 137 ILE MG . . 3.460 2.376 2.251 2.451 . 0 0 "[ . 1 . 2]" 1
2599 1 137 ILE HA 1 138 GLU H . . 2.990 2.186 2.140 2.646 . 0 0 "[ . 1 . 2]" 1
2600 1 137 ILE HB 1 138 GLU H . . 4.410 4.188 3.922 4.370 . 0 0 "[ . 1 . 2]" 1
2601 1 137 ILE MG 1 138 GLU H . . 3.900 2.564 1.886 3.913 0.013 16 0 "[ . 1 . 2]" 1
2602 1 137 ILE MG 1 138 GLU HA . . 4.590 3.905 3.326 4.392 . 0 0 "[ . 1 . 2]" 1
2603 1 137 ILE MG 1 138 GLU HG2 . . 5.290 4.337 3.280 5.324 0.034 16 0 "[ . 1 . 2]" 1
2604 1 137 ILE MG 1 138 GLU QG . . 4.530 3.992 3.078 4.491 . 0 0 "[ . 1 . 2]" 1
2605 1 137 ILE MG 1 138 GLU HG3 . . 5.290 4.862 3.729 5.292 0.002 17 0 "[ . 1 . 2]" 1
2606 1 138 GLU H 1 138 GLU QB . . 3.230 2.654 2.361 3.386 0.156 16 0 "[ . 1 . 2]" 1
2607 1 138 GLU H 1 138 GLU HG2 . . 4.460 2.776 1.943 4.294 . 0 0 "[ . 1 . 2]" 1
2608 1 138 GLU H 1 138 GLU QG . . 3.770 2.485 1.932 3.602 . 0 0 "[ . 1 . 2]" 1
2609 1 138 GLU H 1 138 GLU HG3 . . 4.460 3.336 2.181 3.868 . 0 0 "[ . 1 . 2]" 1
2610 1 138 GLU H 1 139 GLY H . . 4.560 3.974 2.278 4.583 0.023 4 0 "[ . 1 . 2]" 1
2611 1 138 GLU HA 1 138 GLU QG . . 3.710 2.981 2.158 3.455 . 0 0 "[ . 1 . 2]" 1
2612 1 138 GLU QB 1 139 GLY H . . 4.480 2.938 2.083 3.811 . 0 0 "[ . 1 . 2]" 1
2613 1 139 GLY H 1 140 ARG H . . 4.600 3.550 2.015 4.477 . 0 0 "[ . 1 . 2]" 1
2614 1 140 ARG H 1 140 ARG HB2 . . 3.890 2.926 2.215 3.782 . 0 0 "[ . 1 . 2]" 1
2615 1 140 ARG H 1 140 ARG HB3 . . 3.890 2.820 2.301 3.649 . 0 0 "[ . 1 . 2]" 1
2616 1 140 ARG H 1 140 ARG QG . . 3.980 3.325 1.952 4.028 0.048 12 0 "[ . 1 . 2]" 1
2617 1 140 ARG HA 1 140 ARG QD . . 4.390 3.632 2.340 4.397 0.007 14 0 "[ . 1 . 2]" 1
2618 1 140 ARG HA 1 140 ARG HG2 . . 4.150 3.385 2.192 4.165 0.015 4 0 "[ . 1 . 2]" 1
2619 1 140 ARG HA 1 140 ARG QG . . 3.630 2.792 2.170 3.386 . 0 0 "[ . 1 . 2]" 1
2620 1 140 ARG HA 1 140 ARG HG3 . . 4.150 3.118 2.246 4.182 0.032 15 0 "[ . 1 . 2]" 1
2621 1 140 ARG QB 1 140 ARG QD . . 3.180 2.246 2.060 2.587 . 0 0 "[ . 1 . 2]" 1
2622 1 140 ARG QB 1 140 ARG QG . . 2.340 2.052 2.011 2.086 . 0 0 "[ . 1 . 2]" 1
2623 1 154 ASP H 1 154 ASP HB2 . . 4.030 3.252 2.285 4.017 . 0 0 "[ . 1 . 2]" 1
2624 1 154 ASP H 1 154 ASP QB . . 3.490 2.786 2.241 3.369 . 0 0 "[ . 1 . 2]" 1
2625 1 154 ASP H 1 154 ASP HB3 . . 4.030 3.309 2.302 3.978 . 0 0 "[ . 1 . 2]" 1
2626 1 154 ASP HA 1 155 ALA H . . 3.090 2.360 2.139 2.771 . 0 0 "[ . 1 . 2]" 1
2627 1 154 ASP QB 1 155 ALA H . . 3.970 3.074 1.942 3.962 . 0 0 "[ . 1 . 2]" 1
2628 1 154 ASP HB2 1 155 ALA H . . 4.590 3.518 1.953 4.567 . 0 0 "[ . 1 . 2]" 1
2629 1 154 ASP HB3 1 155 ALA H . . 4.590 3.772 2.123 4.551 . 0 0 "[ . 1 . 2]" 1
2630 1 155 ALA H 1 155 ALA MB . . 3.070 2.420 2.051 2.825 . 0 0 "[ . 1 . 2]" 1
2631 1 155 ALA HA 1 156 ALA H . . 3.180 2.387 2.173 3.293 0.113 16 0 "[ . 1 . 2]" 1
2632 1 155 ALA MB 1 156 ALA H . . 3.180 2.751 2.271 3.250 0.070 9 0 "[ . 1 . 2]" 1
2633 1 156 ALA H 1 156 ALA MB . . 3.390 2.732 2.374 2.874 . 0 0 "[ . 1 . 2]" 1
2634 1 156 ALA H 1 157 VAL H . . 3.810 3.616 2.703 3.825 0.015 10 0 "[ . 1 . 2]" 1
2635 1 156 ALA HA 1 157 VAL H . . 2.920 2.285 2.145 2.974 0.054 19 0 "[ . 1 . 2]" 1
2636 1 156 ALA HA 1 157 VAL QG . . 4.760 3.791 3.482 4.512 . 0 0 "[ . 1 . 2]" 1
2637 1 156 ALA MB 1 157 VAL H . . 3.530 3.430 3.309 3.602 0.072 2 0 "[ . 1 . 2]" 1
2638 1 157 VAL H 1 157 VAL HB . . 3.100 2.622 2.480 3.027 . 0 0 "[ . 1 . 2]" 1
2639 1 157 VAL H 1 157 VAL MG1 . . 3.850 2.576 1.951 3.774 . 0 0 "[ . 1 . 2]" 1
2640 1 157 VAL H 1 157 VAL QG . . 2.920 2.159 1.945 2.359 . 0 0 "[ . 1 . 2]" 1
2641 1 157 VAL H 1 157 VAL MG2 . . 3.850 3.373 2.069 3.856 0.006 18 0 "[ . 1 . 2]" 1
2642 1 157 VAL HA 1 157 VAL MG1 . . 3.340 2.976 2.287 3.203 . 0 0 "[ . 1 . 2]" 1
2643 1 157 VAL HA 1 157 VAL QG . . 2.900 2.240 2.044 2.363 . 0 0 "[ . 1 . 2]" 1
2644 1 157 VAL HA 1 157 VAL MG2 . . 3.340 2.349 2.258 2.436 . 0 0 "[ . 1 . 2]" 1
2645 1 157 VAL HA 1 158 THR H . . 2.860 2.183 2.140 2.324 . 0 0 "[ . 1 . 2]" 1
2646 1 157 VAL HA 1 158 THR MG . . 3.850 3.795 3.627 3.886 0.036 3 0 "[ . 1 . 2]" 1
2647 1 157 VAL HB 1 158 THR H . . 4.220 4.117 3.896 4.247 0.027 19 0 "[ . 1 . 2]" 1
2648 1 157 VAL QG 1 158 THR H . . 3.370 2.279 1.860 2.747 . 0 0 "[ . 1 . 2]" 1
2649 1 157 VAL QG 1 161 GLU H . . 4.360 4.042 3.770 4.259 . 0 0 "[ . 1 . 2]" 1
2650 1 157 VAL QG 1 161 GLU QB . . 3.800 3.260 2.643 3.790 . 0 0 "[ . 1 . 2]" 1
2651 1 157 VAL QG 1 161 GLU QG . . 4.020 2.902 2.103 3.847 . 0 0 "[ . 1 . 2]" 1
2652 1 157 VAL QG 1 162 ARG H . . 3.840 3.360 2.962 3.674 . 0 0 "[ . 1 . 2]" 1
2653 1 157 VAL QG 1 162 ARG HA . . 4.310 4.069 3.777 4.307 . 0 0 "[ . 1 . 2]" 1
2654 1 157 VAL QG 1 162 ARG QB . . 4.050 2.947 2.542 3.534 . 0 0 "[ . 1 . 2]" 1
2655 1 158 THR H 1 158 THR HB . . 4.010 2.613 2.425 2.928 . 0 0 "[ . 1 . 2]" 1
2656 1 158 THR H 1 158 THR MG . . 3.080 2.032 1.877 2.285 . 0 0 "[ . 1 . 2]" 1
2657 1 158 THR H 1 159 PRO HD2 . . 5.250 4.799 4.742 4.830 . 0 0 "[ . 1 . 2]" 1
2658 1 158 THR H 1 159 PRO HD3 . . 5.500 4.927 4.743 4.996 . 0 0 "[ . 1 . 2]" 1
2659 1 158 THR H 1 161 GLU QG . . 3.950 3.786 3.381 3.950 . 0 0 "[ . 1 . 2]" 1
2660 1 158 THR HA 1 159 PRO HD2 . . 3.570 2.214 2.077 2.281 . 0 0 "[ . 1 . 2]" 1
2661 1 158 THR HA 1 159 PRO HD3 . . 3.920 2.257 2.254 2.268 . 0 0 "[ . 1 . 2]" 1
2662 1 158 THR HA 1 159 PRO HG2 . . 4.800 4.364 4.255 4.417 . 0 0 "[ . 1 . 2]" 1
2663 1 158 THR HA 1 159 PRO HG3 . . 4.800 4.376 4.327 4.406 . 0 0 "[ . 1 . 2]" 1
2664 1 158 THR HA 1 160 GLU H . . 4.210 3.737 3.622 3.954 . 0 0 "[ . 1 . 2]" 1
2665 1 158 THR HA 1 161 GLU H . . 5.470 5.162 4.888 5.478 0.008 10 0 "[ . 1 . 2]" 1
2666 1 158 THR HB 1 159 PRO HD2 . . 3.990 3.518 3.155 3.676 . 0 0 "[ . 1 . 2]" 1
2667 1 158 THR HB 1 159 PRO QG . . 5.270 5.219 4.907 5.351 0.081 15 0 "[ . 1 . 2]" 1
2668 1 158 THR HB 1 160 GLU H . . 4.460 4.087 4.050 4.165 . 0 0 "[ . 1 . 2]" 1
2669 1 158 THR HB 1 161 GLU H . . 5.500 4.876 4.623 5.082 . 0 0 "[ . 1 . 2]" 1
2670 1 158 THR MG 1 159 PRO HD2 . . 4.220 3.830 3.697 4.111 . 0 0 "[ . 1 . 2]" 1
2671 1 158 THR MG 1 160 GLU H . . 4.210 2.388 1.957 3.458 . 0 0 "[ . 1 . 2]" 1
2672 1 158 THR MG 1 161 GLU H . . 4.470 1.997 1.844 2.655 . 0 0 "[ . 1 . 2]" 1
2673 1 158 THR MG 1 161 GLU HA . . 4.970 4.175 3.798 4.432 . 0 0 "[ . 1 . 2]" 1
2674 1 158 THR MG 1 161 GLU QB . . 4.290 2.914 2.402 3.305 . 0 0 "[ . 1 . 2]" 1
2675 1 158 THR MG 1 161 GLU HG2 . . 3.820 2.336 1.959 3.144 . 0 0 "[ . 1 . 2]" 1
2676 1 158 THR MG 1 161 GLU HG3 . . 3.820 2.691 1.800 3.691 . 0 0 "[ . 1 . 2]" 1
2677 1 158 THR MG 1 162 ARG H . . 5.500 3.719 3.466 4.019 . 0 0 "[ . 1 . 2]" 1
2678 1 159 PRO HA 1 162 ARG H . . 4.000 3.629 3.425 3.955 . 0 0 "[ . 1 . 2]" 1
2679 1 159 PRO HA 1 162 ARG QB . . 3.390 2.691 2.300 3.341 . 0 0 "[ . 1 . 2]" 1
2680 1 159 PRO HA 1 162 ARG QD . . 4.360 3.463 2.025 4.353 . 0 0 "[ . 1 . 2]" 1
2681 1 159 PRO HA 1 162 ARG QG . . 4.740 4.033 2.099 4.720 . 0 0 "[ . 1 . 2]" 1
2682 1 159 PRO QB 1 160 GLU H . . 3.870 3.691 3.351 3.782 . 0 0 "[ . 1 . 2]" 1
2683 1 159 PRO HB2 1 160 GLU H . . 4.620 3.929 3.510 4.044 . 0 0 "[ . 1 . 2]" 1
2684 1 159 PRO HB3 1 160 GLU H . . 4.620 4.484 4.244 4.548 . 0 0 "[ . 1 . 2]" 1
2685 1 159 PRO HD2 1 160 GLU H . . 3.620 3.001 2.674 3.146 . 0 0 "[ . 1 . 2]" 1
2686 1 159 PRO QG 1 160 GLU H . . 4.490 3.217 2.572 3.417 . 0 0 "[ . 1 . 2]" 1
2687 1 160 GLU H 1 160 GLU HB2 . . 3.750 2.368 2.195 3.564 . 0 0 "[ . 1 . 2]" 1
2688 1 160 GLU H 1 160 GLU QB . . 3.130 2.280 2.174 2.410 . 0 0 "[ . 1 . 2]" 1
2689 1 160 GLU H 1 160 GLU HB3 . . 3.750 3.500 2.341 3.630 . 0 0 "[ . 1 . 2]" 1
2690 1 160 GLU H 1 160 GLU HG2 . . 4.170 3.458 2.512 4.119 . 0 0 "[ . 1 . 2]" 1
2691 1 160 GLU H 1 160 GLU QG . . 3.630 2.867 2.431 3.638 0.008 15 0 "[ . 1 . 2]" 1
2692 1 160 GLU H 1 160 GLU HG3 . . 4.170 3.340 2.485 4.071 . 0 0 "[ . 1 . 2]" 1
2693 1 160 GLU H 1 161 GLU H . . 3.560 2.494 2.307 2.703 . 0 0 "[ . 1 . 2]" 1
2694 1 160 GLU H 1 162 ARG H . . 4.640 3.918 3.664 4.556 . 0 0 "[ . 1 . 2]" 1
2695 1 160 GLU HA 1 160 GLU QG . . 3.590 2.460 2.192 3.318 . 0 0 "[ . 1 . 2]" 1
2696 1 160 GLU HA 1 163 HIS H . . 4.220 3.979 3.627 4.205 . 0 0 "[ . 1 . 2]" 1
2697 1 160 GLU HA 1 163 HIS HB3 . . 3.800 3.414 2.992 3.780 . 0 0 "[ . 1 . 2]" 1
2698 1 160 GLU HA 1 164 LEU H . . 4.850 4.424 4.059 4.849 . 0 0 "[ . 1 . 2]" 1
2699 1 160 GLU QB 1 161 GLU H . . 3.420 2.551 2.233 3.398 . 0 0 "[ . 1 . 2]" 1
2700 1 160 GLU HB2 1 161 GLU H . . 4.030 2.659 2.348 3.884 . 0 0 "[ . 1 . 2]" 1
2701 1 160 GLU HB3 1 161 GLU H . . 4.030 3.359 2.795 3.752 . 0 0 "[ . 1 . 2]" 1
2702 1 160 GLU HG2 1 161 GLU H . . 5.500 4.661 1.936 5.129 . 0 0 "[ . 1 . 2]" 1
2703 1 160 GLU HG3 1 161 GLU H . . 5.500 4.608 2.761 5.195 . 0 0 "[ . 1 . 2]" 1
2704 1 161 GLU H 1 161 GLU HB2 . . 3.840 3.027 2.397 3.626 . 0 0 "[ . 1 . 2]" 1
2705 1 161 GLU H 1 161 GLU QB . . 3.270 2.520 2.357 2.641 . 0 0 "[ . 1 . 2]" 1
2706 1 161 GLU H 1 161 GLU HB3 . . 3.840 3.149 2.391 3.645 . 0 0 "[ . 1 . 2]" 1
2707 1 161 GLU H 1 161 GLU HG2 . . 3.710 2.385 1.916 3.165 . 0 0 "[ . 1 . 2]" 1
2708 1 161 GLU H 1 161 GLU QG . . 3.230 2.156 1.901 2.415 . 0 0 "[ . 1 . 2]" 1
2709 1 161 GLU H 1 161 GLU HG3 . . 3.710 2.987 2.006 3.611 . 0 0 "[ . 1 . 2]" 1
2710 1 161 GLU H 1 162 ARG H . . 3.410 2.603 2.379 2.819 . 0 0 "[ . 1 . 2]" 1
2711 1 161 GLU HA 1 161 GLU HG2 . . 3.980 3.177 2.380 4.187 0.207 15 0 "[ . 1 . 2]" 1
2712 1 161 GLU HA 1 161 GLU HG3 . . 3.980 3.696 3.383 3.843 . 0 0 "[ . 1 . 2]" 1
2713 1 161 GLU HA 1 163 HIS H . . 4.560 4.201 3.767 4.524 . 0 0 "[ . 1 . 2]" 1
2714 1 161 GLU HA 1 164 LEU H . . 3.930 3.444 3.050 3.927 . 0 0 "[ . 1 . 2]" 1
2715 1 161 GLU HA 1 164 LEU QB . . 3.610 2.470 2.024 3.518 . 0 0 "[ . 1 . 2]" 1
2716 1 161 GLU HA 1 164 LEU QD . . 3.790 2.278 1.983 3.034 . 0 0 "[ . 1 . 2]" 1
2717 1 161 GLU QB 1 162 ARG H . . 3.480 2.838 2.178 3.465 . 0 0 "[ . 1 . 2]" 1
2718 1 161 GLU HB2 1 162 ARG H . . 3.980 3.011 2.213 3.956 . 0 0 "[ . 1 . 2]" 1
2719 1 161 GLU HB3 1 162 ARG H . . 3.980 3.720 3.216 3.958 . 0 0 "[ . 1 . 2]" 1
2720 1 161 GLU QG 1 162 ARG H . . 4.000 3.038 1.902 3.966 . 0 0 "[ . 1 . 2]" 1
2721 1 161 GLU HG2 1 162 ARG H . . 4.650 3.605 2.088 4.675 0.025 13 0 "[ . 1 . 2]" 1
2722 1 161 GLU HG3 1 162 ARG H . . 4.650 3.358 1.931 4.587 . 0 0 "[ . 1 . 2]" 1
2723 1 162 ARG H 1 162 ARG QB . . 3.470 2.226 2.115 2.405 . 0 0 "[ . 1 . 2]" 1
2724 1 162 ARG H 1 162 ARG QD . . 4.650 4.392 3.627 4.656 0.006 14 0 "[ . 1 . 2]" 1
2725 1 162 ARG H 1 162 ARG HG2 . . 4.640 4.143 2.454 4.611 . 0 0 "[ . 1 . 2]" 1
2726 1 162 ARG H 1 162 ARG QG . . 3.980 3.700 2.406 4.010 0.030 15 0 "[ . 1 . 2]" 1
2727 1 162 ARG H 1 162 ARG HG3 . . 4.640 4.268 3.468 4.534 . 0 0 "[ . 1 . 2]" 1
2728 1 162 ARG H 1 163 HIS H . . 3.460 2.867 2.614 3.130 . 0 0 "[ . 1 . 2]" 1
2729 1 162 ARG H 1 164 LEU QD . . 5.440 4.972 4.199 5.355 . 0 0 "[ . 1 . 2]" 1
2730 1 162 ARG HA 1 162 ARG QD . . 4.380 4.014 2.384 4.406 0.026 17 0 "[ . 1 . 2]" 1
2731 1 162 ARG HA 1 162 ARG HG2 . . 3.990 3.327 2.630 3.905 . 0 0 "[ . 1 . 2]" 1
2732 1 162 ARG HA 1 162 ARG QG . . 3.470 2.619 2.332 3.344 . 0 0 "[ . 1 . 2]" 1
2733 1 162 ARG HA 1 162 ARG HG3 . . 3.990 2.782 2.389 3.700 . 0 0 "[ . 1 . 2]" 1
2734 1 162 ARG HA 1 164 LEU H . . 5.410 4.969 4.303 5.375 . 0 0 "[ . 1 . 2]" 1
2735 1 162 ARG HA 1 165 SER H . . 4.570 4.013 3.575 4.473 . 0 0 "[ . 1 . 2]" 1
2736 1 162 ARG QB 1 162 ARG QD . . 3.300 2.192 2.098 2.358 . 0 0 "[ . 1 . 2]" 1
2737 1 162 ARG QB 1 163 HIS H . . 4.310 2.719 2.253 3.519 . 0 0 "[ . 1 . 2]" 1
2738 1 162 ARG QG 1 163 HIS H . . 4.530 3.348 2.060 4.042 . 0 0 "[ . 1 . 2]" 1
2739 1 162 ARG QG 1 163 HIS HA . . 4.410 3.619 2.998 4.404 . 0 0 "[ . 1 . 2]" 1
2740 1 163 HIS H 1 163 HIS HB3 . . 3.130 2.229 2.191 2.301 . 0 0 "[ . 1 . 2]" 1
2741 1 163 HIS H 1 163 HIS HD2 . . 5.120 4.650 4.459 4.876 . 0 0 "[ . 1 . 2]" 1
2742 1 163 HIS H 1 164 LEU H . . 3.550 2.684 2.400 3.044 . 0 0 "[ . 1 . 2]" 1
2743 1 163 HIS HA 1 166 LYS H . . 3.740 3.492 3.176 3.741 0.001 12 0 "[ . 1 . 2]" 1
2744 1 163 HIS HA 1 166 LYS QB . . 3.740 2.899 2.243 3.419 . 0 0 "[ . 1 . 2]" 1
2745 1 163 HIS HA 1 166 LYS QD . . 4.020 3.129 2.197 4.017 . 0 0 "[ . 1 . 2]" 1
2746 1 163 HIS HA 1 167 MET H . . 4.860 4.593 4.289 4.849 . 0 0 "[ . 1 . 2]" 1
2747 1 163 HIS HB3 1 164 LEU H . . 3.450 2.557 2.325 2.915 . 0 0 "[ . 1 . 2]" 1
2748 1 163 HIS HB3 1 165 SER H . . 5.280 5.082 4.751 5.280 0.000 16 0 "[ . 1 . 2]" 1
2749 1 163 HIS HD2 1 164 LEU H . . 4.500 3.114 2.408 4.183 . 0 0 "[ . 1 . 2]" 1
2750 1 163 HIS HD2 1 164 LEU HA . . 4.760 3.464 2.590 4.337 . 0 0 "[ . 1 . 2]" 1
2751 1 163 HIS HD2 1 164 LEU QD . . 4.220 3.183 2.083 3.969 . 0 0 "[ . 1 . 2]" 1
2752 1 163 HIS HD2 1 164 LEU HG . . 4.890 2.885 2.033 4.846 . 0 0 "[ . 1 . 2]" 1
2753 1 163 HIS HE1 1 167 MET ME . . 3.320 2.908 2.231 3.319 . 0 0 "[ . 1 . 2]" 1
2754 1 164 LEU H 1 164 LEU HB2 . . 3.640 2.405 2.280 2.719 . 0 0 "[ . 1 . 2]" 1
2755 1 164 LEU H 1 164 LEU QB . . 3.120 2.369 2.254 2.642 . 0 0 "[ . 1 . 2]" 1
2756 1 164 LEU H 1 164 LEU HB3 . . 3.640 3.578 3.542 3.601 . 0 0 "[ . 1 . 2]" 1
2757 1 164 LEU H 1 164 LEU MD1 . . 4.060 3.314 1.901 3.945 . 0 0 "[ . 1 . 2]" 1
2758 1 164 LEU H 1 164 LEU QD . . 3.500 3.008 1.896 3.254 . 0 0 "[ . 1 . 2]" 1
2759 1 164 LEU H 1 164 LEU MD2 . . 4.060 3.696 1.902 3.994 . 0 0 "[ . 1 . 2]" 1
2760 1 164 LEU H 1 164 LEU HG . . 3.530 2.561 2.155 3.529 . 0 0 "[ . 1 . 2]" 1
2761 1 164 LEU H 1 165 SER H . . 3.460 2.920 2.504 3.105 . 0 0 "[ . 1 . 2]" 1
2762 1 164 LEU H 1 166 LYS H . . 4.890 4.502 4.241 4.856 . 0 0 "[ . 1 . 2]" 1
2763 1 164 LEU HA 1 164 LEU QD . . 3.360 2.329 1.913 3.128 . 0 0 "[ . 1 . 2]" 1
2764 1 164 LEU HA 1 164 LEU HG . . 4.110 2.755 2.544 3.718 . 0 0 "[ . 1 . 2]" 1
2765 1 164 LEU HA 1 167 MET H . . 4.130 3.653 3.197 4.051 . 0 0 "[ . 1 . 2]" 1
2766 1 164 LEU HA 1 167 MET QB . . 4.070 3.180 2.783 3.780 . 0 0 "[ . 1 . 2]" 1
2767 1 164 LEU HA 1 168 GLN H . . 4.950 4.641 4.244 4.952 0.002 4 0 "[ . 1 . 2]" 1
2768 1 164 LEU QB 1 164 LEU QD . . 2.700 1.856 1.751 1.976 . 0 0 "[ . 1 . 2]" 1
2769 1 164 LEU QB 1 165 SER H . . 3.270 2.530 2.338 2.832 . 0 0 "[ . 1 . 2]" 1
2770 1 164 LEU QB 1 165 SER QB . . 4.510 4.223 3.894 4.483 . 0 0 "[ . 1 . 2]" 1
2771 1 164 LEU QB 1 167 MET H . . 5.340 4.872 4.537 5.342 0.002 4 0 "[ . 1 . 2]" 1
2772 1 164 LEU HB2 1 165 SER H . . 3.800 2.617 2.394 2.926 . 0 0 "[ . 1 . 2]" 1
2773 1 164 LEU HB3 1 165 SER H . . 3.800 3.373 3.005 3.776 . 0 0 "[ . 1 . 2]" 1
2774 1 164 LEU QD 1 165 SER H . . 4.250 3.979 3.250 4.238 . 0 0 "[ . 1 . 2]" 1
2775 1 164 LEU MD1 1 165 SER H . . 5.360 4.332 3.309 4.697 . 0 0 "[ . 1 . 2]" 1
2776 1 164 LEU MD2 1 165 SER H . . 5.360 4.691 4.094 4.933 . 0 0 "[ . 1 . 2]" 1
2777 1 164 LEU HG 1 165 SER H . . 4.710 4.623 4.384 4.715 0.005 20 0 "[ . 1 . 2]" 1
2778 1 165 SER H 1 165 SER QB . . 2.920 2.378 2.203 2.714 . 0 0 "[ . 1 . 2]" 1
2779 1 165 SER H 1 166 LYS H . . 3.240 2.810 2.647 3.130 . 0 0 "[ . 1 . 2]" 1
2780 1 165 SER HA 1 168 GLN H . . 4.060 3.417 3.218 3.692 . 0 0 "[ . 1 . 2]" 1
2781 1 165 SER QB 1 166 LYS H . . 3.810 2.663 2.044 3.405 . 0 0 "[ . 1 . 2]" 1
2782 1 165 SER QB 1 169 GLN QE . . 3.850 3.126 2.012 3.849 . 0 0 "[ . 1 . 2]" 1
2783 1 165 SER HB2 1 166 LYS H . . 4.400 2.869 2.062 3.706 . 0 0 "[ . 1 . 2]" 1
2784 1 165 SER HB3 1 166 LYS H . . 4.400 3.399 2.232 3.968 . 0 0 "[ . 1 . 2]" 1
2785 1 166 LYS H 1 166 LYS HB2 . . 3.640 2.488 2.224 3.474 . 0 0 "[ . 1 . 2]" 1
2786 1 166 LYS H 1 166 LYS QB . . 2.870 2.383 2.149 2.666 . 0 0 "[ . 1 . 2]" 1
2787 1 166 LYS H 1 166 LYS HB3 . . 3.640 3.501 2.169 3.612 . 0 0 "[ . 1 . 2]" 1
2788 1 166 LYS H 1 166 LYS HD2 . . 5.500 4.243 2.235 4.873 . 0 0 "[ . 1 . 2]" 1
2789 1 166 LYS H 1 166 LYS QD . . 4.820 3.709 1.904 4.486 . 0 0 "[ . 1 . 2]" 1
2790 1 166 LYS H 1 166 LYS HD3 . . 5.500 4.247 1.911 5.245 . 0 0 "[ . 1 . 2]" 1
2791 1 166 LYS H 1 166 LYS HG2 . . 4.100 3.289 1.930 4.088 . 0 0 "[ . 1 . 2]" 1
2792 1 166 LYS H 1 166 LYS QG . . 3.370 2.445 1.916 3.316 . 0 0 "[ . 1 . 2]" 1
2793 1 166 LYS H 1 166 LYS HG3 . . 4.100 2.752 1.977 4.053 . 0 0 "[ . 1 . 2]" 1
2794 1 166 LYS H 1 167 MET H . . 3.260 2.845 2.620 3.040 . 0 0 "[ . 1 . 2]" 1
2795 1 166 LYS H 1 168 GLN H . . 4.620 4.466 4.108 4.632 0.012 20 0 "[ . 1 . 2]" 1
2796 1 166 LYS H 1 169 GLN H . . 5.310 4.674 4.539 5.014 . 0 0 "[ . 1 . 2]" 1
2797 1 166 LYS HA 1 166 LYS HG2 . . 3.920 2.681 2.254 3.834 . 0 0 "[ . 1 . 2]" 1
2798 1 166 LYS HA 1 166 LYS QG . . 3.410 2.428 2.162 3.269 . 0 0 "[ . 1 . 2]" 1
2799 1 166 LYS HA 1 166 LYS HG3 . . 3.920 3.069 2.183 3.826 . 0 0 "[ . 1 . 2]" 1
2800 1 166 LYS HA 1 169 GLN H . . 4.470 3.411 3.129 3.674 . 0 0 "[ . 1 . 2]" 1
2801 1 166 LYS HA 1 169 GLN HB2 . . 3.720 2.212 1.999 2.467 . 0 0 "[ . 1 . 2]" 1
2802 1 166 LYS HA 1 170 ASN H . . 3.730 3.570 3.224 3.727 . 0 0 "[ . 1 . 2]" 1
2803 1 166 LYS HA 1 170 ASN HD21 . . 4.530 3.762 3.251 4.529 . 0 0 "[ . 1 . 2]" 1
2804 1 166 LYS HA 1 170 ASN HD22 . . 5.260 3.760 2.776 5.162 . 0 0 "[ . 1 . 2]" 1
2805 1 166 LYS HB2 1 167 MET H . . 3.860 2.791 2.358 3.833 . 0 0 "[ . 1 . 2]" 1
2806 1 166 LYS HB3 1 167 MET H . . 3.860 3.548 3.226 3.881 0.021 20 0 "[ . 1 . 2]" 1
2807 1 166 LYS QE 1 166 LYS QG . . 3.340 2.228 2.051 2.562 . 0 0 "[ . 1 . 2]" 1
2808 1 166 LYS QG 1 167 MET H . . 4.730 4.087 1.838 4.487 . 0 0 "[ . 1 . 2]" 1
2809 1 167 MET H 1 167 MET HB2 . . 3.730 2.511 2.195 2.637 . 0 0 "[ . 1 . 2]" 1
2810 1 167 MET H 1 167 MET QB . . 3.220 2.464 2.173 2.573 . 0 0 "[ . 1 . 2]" 1
2811 1 167 MET H 1 167 MET HB3 . . 3.730 3.586 3.500 3.607 . 0 0 "[ . 1 . 2]" 1
2812 1 167 MET H 1 167 MET ME . . 4.660 4.574 4.307 4.671 0.011 14 0 "[ . 1 . 2]" 1
2813 1 167 MET H 1 167 MET HG2 . . 4.240 2.447 2.006 3.713 . 0 0 "[ . 1 . 2]" 1
2814 1 167 MET H 1 167 MET QG . . 3.470 2.291 1.995 3.452 . 0 0 "[ . 1 . 2]" 1
2815 1 167 MET H 1 167 MET HG3 . . 4.240 3.444 2.383 4.105 . 0 0 "[ . 1 . 2]" 1
2816 1 167 MET HA 1 167 MET ME . . 3.510 3.229 2.948 3.461 . 0 0 "[ . 1 . 2]" 1
2817 1 167 MET HA 1 167 MET QG . . 3.640 2.861 2.277 3.140 . 0 0 "[ . 1 . 2]" 1
2818 1 167 MET HA 1 171 GLY H . . 3.490 2.918 2.687 3.189 . 0 0 "[ . 1 . 2]" 1
2819 1 167 MET QB 1 168 GLN H . . 4.310 2.412 2.168 2.694 . 0 0 "[ . 1 . 2]" 1
2820 1 167 MET ME 1 172 TYR H . . 3.940 3.586 3.084 3.942 0.002 14 0 "[ . 1 . 2]" 1
2821 1 167 MET ME 1 172 TYR HA . . 4.800 4.571 4.267 4.801 0.001 16 0 "[ . 1 . 2]" 1
2822 1 167 MET ME 1 172 TYR HB2 . . 3.780 2.630 2.249 3.086 . 0 0 "[ . 1 . 2]" 1
2823 1 167 MET ME 1 172 TYR QB . . 3.200 2.447 2.172 2.790 . 0 0 "[ . 1 . 2]" 1
2824 1 167 MET ME 1 172 TYR HB3 . . 3.780 2.985 2.507 3.546 . 0 0 "[ . 1 . 2]" 1
2825 1 167 MET ME 1 172 TYR QD . . 4.570 3.929 3.318 4.355 . 0 0 "[ . 1 . 2]" 1
2826 1 168 GLN H 1 168 GLN HB2 . . 3.640 3.152 2.475 3.618 . 0 0 "[ . 1 . 2]" 1
2827 1 168 GLN H 1 168 GLN HB3 . . 3.640 3.090 2.560 3.643 0.003 7 0 "[ . 1 . 2]" 1
2828 1 168 GLN H 1 168 GLN HG2 . . 3.820 2.695 1.897 3.741 . 0 0 "[ . 1 . 2]" 1
2829 1 168 GLN H 1 168 GLN QG . . 3.310 2.038 1.887 2.355 . 0 0 "[ . 1 . 2]" 1
2830 1 168 GLN H 1 168 GLN HG3 . . 3.820 2.597 1.929 3.438 . 0 0 "[ . 1 . 2]" 1
2831 1 168 GLN QB 1 169 GLN H . . 4.150 3.401 2.872 3.908 . 0 0 "[ . 1 . 2]" 1
2832 1 169 GLN H 1 169 GLN HB2 . . 3.160 2.296 2.185 2.449 . 0 0 "[ . 1 . 2]" 1
2833 1 169 GLN H 1 169 GLN HG2 . . 3.860 3.366 2.407 3.893 0.033 20 0 "[ . 1 . 2]" 1
2834 1 169 GLN H 1 169 GLN HG3 . . 3.860 3.243 2.626 3.857 . 0 0 "[ . 1 . 2]" 1
2835 1 169 GLN H 1 171 GLY H . . 4.160 3.657 3.065 4.092 . 0 0 "[ . 1 . 2]" 1
2836 1 169 GLN HA 1 169 GLN HG2 . . 3.710 2.501 2.184 3.203 . 0 0 "[ . 1 . 2]" 1
2837 1 169 GLN HA 1 169 GLN QG . . 3.200 2.418 2.140 3.018 . 0 0 "[ . 1 . 2]" 1
2838 1 169 GLN HA 1 169 GLN HG3 . . 3.710 3.282 2.774 3.724 0.014 6 0 "[ . 1 . 2]" 1
2839 1 169 GLN HB2 1 170 ASN H . . 3.440 2.189 1.940 2.436 . 0 0 "[ . 1 . 2]" 1
2840 1 169 GLN HB2 1 171 GLY H . . 3.970 3.868 3.583 3.974 0.004 6 0 "[ . 1 . 2]" 1
2841 1 169 GLN QG 1 170 ASN H . . 4.180 3.986 3.767 4.146 . 0 0 "[ . 1 . 2]" 1
2842 1 169 GLN HG2 1 170 ASN H . . 4.840 4.543 4.093 4.797 . 0 0 "[ . 1 . 2]" 1
2843 1 169 GLN HG3 1 170 ASN H . . 4.840 4.426 4.195 4.579 . 0 0 "[ . 1 . 2]" 1
2844 1 170 ASN H 1 170 ASN HB2 . . 3.850 3.416 2.535 3.778 . 0 0 "[ . 1 . 2]" 1
2845 1 170 ASN H 1 170 ASN QB . . 3.310 2.829 2.495 3.024 . 0 0 "[ . 1 . 2]" 1
2846 1 170 ASN H 1 170 ASN HB3 . . 3.850 3.233 2.658 3.791 . 0 0 "[ . 1 . 2]" 1
2847 1 170 ASN H 1 170 ASN HD21 . . 4.630 2.365 1.815 2.934 . 0 0 "[ . 1 . 2]" 1
2848 1 170 ASN H 1 171 GLY H . . 3.150 2.023 1.803 2.213 . 0 0 "[ . 1 . 2]" 1
2849 1 170 ASN H 1 171 GLY QA . . 4.210 3.941 3.777 4.034 . 0 0 "[ . 1 . 2]" 1
2850 1 170 ASN HA 1 170 ASN HD21 . . 4.050 3.847 3.415 4.015 . 0 0 "[ . 1 . 2]" 1
2851 1 170 ASN HA 1 170 ASN HD22 . . 5.110 4.841 4.091 5.075 . 0 0 "[ . 1 . 2]" 1
2852 1 170 ASN QB 1 171 GLY H . . 3.630 3.260 2.600 3.586 . 0 0 "[ . 1 . 2]" 1
2853 1 170 ASN HB2 1 171 GLY H . . 4.200 3.505 2.643 4.005 . 0 0 "[ . 1 . 2]" 1
2854 1 170 ASN HB3 1 171 GLY H . . 4.200 4.003 3.722 4.213 0.013 10 0 "[ . 1 . 2]" 1
2855 1 171 GLY H 1 172 TYR H . . 4.820 4.570 4.460 4.614 . 0 0 "[ . 1 . 2]" 1
2856 1 171 GLY QA 1 172 TYR H . . 3.090 2.241 2.164 2.281 . 0 0 "[ . 1 . 2]" 1
2857 1 171 GLY HA2 1 172 TYR H . . 3.550 2.752 2.482 2.990 . 0 0 "[ . 1 . 2]" 1
2858 1 171 GLY HA3 1 172 TYR H . . 3.550 2.398 2.221 2.644 . 0 0 "[ . 1 . 2]" 1
2859 1 172 TYR H 1 172 TYR HB2 . . 4.160 3.104 2.736 3.373 . 0 0 "[ . 1 . 2]" 1
2860 1 172 TYR H 1 172 TYR QB . . 3.520 2.592 2.410 2.736 . 0 0 "[ . 1 . 2]" 1
2861 1 172 TYR H 1 172 TYR HB3 . . 4.160 2.785 2.624 3.038 . 0 0 "[ . 1 . 2]" 1
2862 1 172 TYR H 1 172 TYR QD . . 4.620 4.344 4.209 4.479 . 0 0 "[ . 1 . 2]" 1
2863 1 172 TYR H 1 173 GLU H . . 4.380 4.215 3.853 4.392 0.012 6 0 "[ . 1 . 2]" 1
2864 1 172 TYR HA 1 172 TYR QD . . 3.900 2.841 2.329 3.174 . 0 0 "[ . 1 . 2]" 1
2865 1 172 TYR HA 1 173 GLU H . . 3.060 2.157 2.139 2.244 . 0 0 "[ . 1 . 2]" 1
2866 1 172 TYR QB 1 173 GLU H . . 3.990 3.782 3.551 4.005 0.015 8 0 "[ . 1 . 2]" 1
2867 1 172 TYR HB2 1 173 GLU H . . 4.540 4.316 4.031 4.596 0.056 8 0 "[ . 1 . 2]" 1
2868 1 172 TYR HB3 1 173 GLU H . . 4.540 4.187 3.944 4.407 . 0 0 "[ . 1 . 2]" 1
2869 1 172 TYR QD 1 173 GLU H . . 3.840 3.564 2.976 3.847 0.007 8 0 "[ . 1 . 2]" 1
2870 1 172 TYR QE 1 174 ASN HA . . 4.060 2.718 2.104 3.372 . 0 0 "[ . 1 . 2]" 1
2871 1 172 TYR QE 1 175 PRO HD2 . . 4.560 3.111 2.559 3.656 . 0 0 "[ . 1 . 2]" 1
2872 1 172 TYR QE 1 175 PRO QD . . 3.940 2.687 2.032 3.174 . 0 0 "[ . 1 . 2]" 1
2873 1 172 TYR QE 1 175 PRO HD3 . . 4.560 2.996 2.077 3.592 . 0 0 "[ . 1 . 2]" 1
2874 1 173 GLU H 1 173 GLU HB2 . . 3.770 2.589 2.185 3.715 . 0 0 "[ . 1 . 2]" 1
2875 1 173 GLU H 1 173 GLU QB . . 3.220 2.506 2.131 2.901 . 0 0 "[ . 1 . 2]" 1
2876 1 173 GLU H 1 173 GLU HB3 . . 3.770 3.620 2.960 3.742 . 0 0 "[ . 1 . 2]" 1
2877 1 173 GLU H 1 173 GLU HG2 . . 4.280 4.047 3.365 4.280 . 0 0 "[ . 1 . 2]" 1
2878 1 173 GLU H 1 173 GLU QG . . 3.630 2.966 1.876 3.773 0.143 8 0 "[ . 1 . 2]" 1
2879 1 173 GLU H 1 173 GLU HG3 . . 4.280 3.087 1.886 4.359 0.079 8 0 "[ . 1 . 2]" 1
2880 1 173 GLU H 1 174 ASN H . . 4.360 4.289 4.064 4.442 0.082 8 0 "[ . 1 . 2]" 1
2881 1 173 GLU HA 1 174 ASN H . . 3.400 2.150 2.139 2.220 . 0 0 "[ . 1 . 2]" 1
2882 1 173 GLU QB 1 174 ASN H . . 3.830 3.459 3.297 3.772 . 0 0 "[ . 1 . 2]" 1
2883 1 173 GLU HB2 1 174 ASN H . . 4.460 4.311 3.680 4.537 0.077 8 0 "[ . 1 . 2]" 1
2884 1 173 GLU HB3 1 174 ASN H . . 4.460 3.670 3.416 4.377 . 0 0 "[ . 1 . 2]" 1
2885 1 173 GLU QG 1 174 ASN H . . 4.680 4.278 3.414 4.617 . 0 0 "[ . 1 . 2]" 1
2886 1 174 ASN H 1 174 ASN HB2 . . 3.610 2.247 2.175 2.599 . 0 0 "[ . 1 . 2]" 1
2887 1 174 ASN H 1 174 ASN HB3 . . 3.580 2.895 2.531 3.106 . 0 0 "[ . 1 . 2]" 1
2888 1 174 ASN H 1 174 ASN HD21 . . 4.910 4.752 4.470 4.915 0.005 7 0 "[ . 1 . 2]" 1
2889 1 174 ASN H 1 175 PRO HD2 . . 5.500 4.693 4.467 4.777 . 0 0 "[ . 1 . 2]" 1
2890 1 174 ASN H 1 175 PRO QD . . 4.790 4.127 3.843 4.235 . 0 0 "[ . 1 . 2]" 1
2891 1 174 ASN H 1 175 PRO HD3 . . 5.500 4.578 4.191 4.732 . 0 0 "[ . 1 . 2]" 1
2892 1 174 ASN HA 1 175 PRO QD . . 3.490 1.877 1.853 1.901 . 0 0 "[ . 1 . 2]" 1
2893 1 174 ASN HA 1 175 PRO HG3 . . 4.410 4.322 4.315 4.390 . 0 0 "[ . 1 . 2]" 1
2894 1 174 ASN HD21 1 176 THR H . . 5.300 4.726 4.202 5.249 . 0 0 "[ . 1 . 2]" 1
2895 1 174 ASN HD21 1 177 TYR H . . 4.660 3.948 2.922 4.679 0.019 6 0 "[ . 1 . 2]" 1
2896 1 174 ASN HD22 1 176 THR H . . 4.770 4.272 4.001 4.678 . 0 0 "[ . 1 . 2]" 1
2897 1 174 ASN HD22 1 176 THR HB . . 4.940 4.062 2.769 4.460 . 0 0 "[ . 1 . 2]" 1
2898 1 174 ASN HD22 1 177 TYR H . . 4.870 4.305 3.571 4.723 . 0 0 "[ . 1 . 2]" 1
2899 1 175 PRO QD 1 176 THR H . . 4.390 2.669 2.606 2.815 . 0 0 "[ . 1 . 2]" 1
2900 1 175 PRO HG2 1 176 THR H . . 3.810 2.365 1.905 3.119 . 0 0 "[ . 1 . 2]" 1
2901 1 175 PRO HG2 1 176 THR MG . . 4.480 4.016 3.411 4.564 0.084 10 0 "[ . 1 . 2]" 1
2902 1 175 PRO HG2 1 177 TYR H . . 5.310 4.945 4.594 5.266 . 0 0 "[ . 1 . 2]" 1
2903 1 175 PRO HG3 1 176 THR H . . 4.460 3.878 3.533 4.443 . 0 0 "[ . 1 . 2]" 1
2904 1 176 THR H 1 176 THR HB . . 3.620 2.562 2.293 3.066 . 0 0 "[ . 1 . 2]" 1
2905 1 176 THR H 1 176 THR HG1 . . 4.340 4.156 2.331 4.343 0.003 14 0 "[ . 1 . 2]" 1
2906 1 176 THR H 1 176 THR MG . . 3.530 2.336 1.972 3.584 0.054 10 0 "[ . 1 . 2]" 1
2907 1 176 THR H 1 177 TYR H . . 3.350 2.660 2.134 3.076 . 0 0 "[ . 1 . 2]" 1
2908 1 176 THR H 1 177 TYR QB . . 5.050 4.543 3.999 4.964 . 0 0 "[ . 1 . 2]" 1
2909 1 176 THR HA 1 176 THR MG . . 3.250 3.142 2.193 3.206 . 0 0 "[ . 1 . 2]" 1
2910 1 176 THR HB 1 177 TYR H . . 4.160 3.893 2.710 4.166 0.006 15 0 "[ . 1 . 2]" 1
2911 1 176 THR MG 1 177 TYR H . . 4.260 2.139 1.830 3.994 . 0 0 "[ . 1 . 2]" 1
2912 1 176 THR MG 1 177 TYR QD . . 4.220 3.840 2.039 4.251 0.031 10 0 "[ . 1 . 2]" 1
2913 1 177 TYR H 1 177 TYR HB2 . . 3.480 2.561 2.280 2.808 . 0 0 "[ . 1 . 2]" 1
2914 1 177 TYR H 1 177 TYR HB3 . . 3.480 2.864 2.710 3.471 . 0 0 "[ . 1 . 2]" 1
2915 1 177 TYR H 1 177 TYR QD . . 4.390 4.216 3.339 4.329 . 0 0 "[ . 1 . 2]" 1
2916 1 177 TYR H 1 178 LYS H . . 4.450 3.772 3.294 4.435 . 0 0 "[ . 1 . 2]" 1
2917 1 177 TYR HA 1 177 TYR QD . . 4.020 2.657 2.024 3.085 . 0 0 "[ . 1 . 2]" 1
2918 1 177 TYR HA 1 177 TYR QE . . 4.590 4.415 4.168 4.607 0.017 14 0 "[ . 1 . 2]" 1
2919 1 177 TYR HB2 1 178 LYS H . . 4.930 4.621 4.423 4.664 . 0 0 "[ . 1 . 2]" 1
2920 1 177 TYR HB3 1 178 LYS H . . 4.930 4.287 3.422 4.385 . 0 0 "[ . 1 . 2]" 1
2921 1 177 TYR QD 1 178 LYS H . . 4.300 3.661 3.135 4.230 . 0 0 "[ . 1 . 2]" 1
2922 1 177 TYR QD 1 179 PHE QB . . 4.620 3.390 2.196 4.465 . 0 0 "[ . 1 . 2]" 1
2923 1 177 TYR QE 1 179 PHE HB2 . . 4.880 3.542 2.001 4.879 . 0 0 "[ . 1 . 2]" 1
2924 1 177 TYR QE 1 179 PHE QB . . 4.210 3.134 1.970 4.240 0.030 9 0 "[ . 1 . 2]" 1
2925 1 177 TYR QE 1 179 PHE HB3 . . 4.880 3.887 2.358 4.872 . 0 0 "[ . 1 . 2]" 1
2926 1 178 LYS H 1 178 LYS HB2 . . 4.140 2.912 2.364 3.888 . 0 0 "[ . 1 . 2]" 1
2927 1 178 LYS H 1 178 LYS HB3 . . 4.140 3.026 2.402 3.790 . 0 0 "[ . 1 . 2]" 1
2928 1 178 LYS H 1 178 LYS QG . . 5.040 3.319 1.864 4.170 . 0 0 "[ . 1 . 2]" 1
2929 1 178 LYS HA 1 178 LYS HD2 . . 5.500 4.118 2.482 4.959 . 0 0 "[ . 1 . 2]" 1
2930 1 178 LYS HA 1 178 LYS QD . . 4.710 3.485 2.062 4.355 . 0 0 "[ . 1 . 2]" 1
2931 1 178 LYS HA 1 178 LYS HD3 . . 5.500 3.980 2.075 5.463 . 0 0 "[ . 1 . 2]" 1
2932 1 178 LYS HA 1 178 LYS HG2 . . 4.030 3.155 2.190 4.164 0.134 16 0 "[ . 1 . 2]" 1
2933 1 178 LYS HA 1 178 LYS HG3 . . 4.030 3.157 2.359 3.823 . 0 0 "[ . 1 . 2]" 1
2934 1 178 LYS QB 1 178 LYS QE . . 4.280 2.813 1.980 3.791 . 0 0 "[ . 1 . 2]" 1
2935 1 178 LYS HB2 1 178 LYS HE2 . . 5.500 4.058 2.016 5.459 . 0 0 "[ . 1 . 2]" 1
2936 1 178 LYS HB2 1 178 LYS HE3 . . 5.500 3.695 2.009 4.967 . 0 0 "[ . 1 . 2]" 1
2937 1 178 LYS HB3 1 178 LYS HE2 . . 5.500 4.143 3.152 5.268 . 0 0 "[ . 1 . 2]" 1
2938 1 178 LYS HB3 1 178 LYS HE3 . . 5.500 3.802 2.011 5.378 . 0 0 "[ . 1 . 2]" 1
2939 1 178 LYS QD 1 180 PHE QE . . 3.940 2.740 1.799 3.939 . 0 0 "[ . 1 . 2]" 1
2940 1 178 LYS QD 1 180 PHE HZ . . 5.340 3.705 2.245 5.260 . 0 0 "[ . 1 . 2]" 1
2941 1 178 LYS HD2 1 180 PHE QE . . 4.560 3.510 2.002 4.543 . 0 0 "[ . 1 . 2]" 1
2942 1 178 LYS HD3 1 180 PHE QE . . 4.560 3.212 2.037 4.533 . 0 0 "[ . 1 . 2]" 1
2943 1 178 LYS QE 1 178 LYS QG . . 3.310 2.309 2.061 2.725 . 0 0 "[ . 1 . 2]" 1
2944 1 178 LYS QE 1 180 PHE QE . . 4.030 2.786 1.915 3.925 . 0 0 "[ . 1 . 2]" 1
2945 1 178 LYS QE 1 180 PHE HZ . . 4.740 3.451 2.280 4.346 . 0 0 "[ . 1 . 2]" 1
2946 1 178 LYS HE2 1 180 PHE QE . . 4.770 3.203 2.000 4.758 . 0 0 "[ . 1 . 2]" 1
2947 1 178 LYS HE2 1 180 PHE HZ . . 5.500 3.957 2.327 5.513 0.013 20 0 "[ . 1 . 2]" 1
2948 1 178 LYS HE3 1 180 PHE QE . . 4.770 3.570 2.000 4.605 . 0 0 "[ . 1 . 2]" 1
2949 1 178 LYS HE3 1 180 PHE HZ . . 5.500 4.262 3.019 5.487 . 0 0 "[ . 1 . 2]" 1
2950 1 178 LYS QG 1 180 PHE QE . . 4.560 3.248 1.953 4.510 . 0 0 "[ . 1 . 2]" 1
2951 1 179 PHE H 1 180 PHE H . . 4.070 3.034 2.078 4.070 0.000 4 0 "[ . 1 . 2]" 1
2952 1 179 PHE HA 1 179 PHE QD . . 4.090 2.900 2.385 3.708 . 0 0 "[ . 1 . 2]" 1
2953 1 179 PHE QB 1 180 PHE H . . 3.980 3.512 2.063 3.998 0.018 13 0 "[ . 1 . 2]" 1
2954 1 179 PHE HB2 1 180 PHE H . . 4.750 4.259 3.281 4.654 . 0 0 "[ . 1 . 2]" 1
2955 1 179 PHE HB3 1 180 PHE H . . 4.750 3.867 2.079 4.531 . 0 0 "[ . 1 . 2]" 1
2956 1 179 PHE QD 1 180 PHE H . . 4.750 4.118 2.279 4.782 0.032 2 0 "[ . 1 . 2]" 1
2957 1 180 PHE H 1 180 PHE HB2 . . 3.720 3.628 3.525 3.744 0.024 2 0 "[ . 1 . 2]" 1
2958 1 180 PHE H 1 180 PHE QB . . 3.040 2.787 2.212 3.088 0.048 17 0 "[ . 1 . 2]" 1
2959 1 180 PHE H 1 180 PHE HB3 . . 3.720 2.909 2.235 3.304 . 0 0 "[ . 1 . 2]" 1
2960 1 180 PHE H 1 180 PHE QD . . 3.740 2.539 2.030 2.968 . 0 0 "[ . 1 . 2]" 1
2961 1 180 PHE H 1 181 GLU H . . 4.620 4.521 4.417 4.617 . 0 0 "[ . 1 . 2]" 1
2962 1 180 PHE HA 1 180 PHE QD . . 3.770 3.684 3.637 3.727 . 0 0 "[ . 1 . 2]" 1
2963 1 180 PHE HA 1 181 GLU H . . 3.060 2.540 2.343 2.677 . 0 0 "[ . 1 . 2]" 1
2964 1 180 PHE HB2 1 181 GLU H . . 4.010 2.167 1.885 2.609 . 0 0 "[ . 1 . 2]" 1
2965 1 180 PHE HB3 1 181 GLU H . . 4.010 3.540 3.305 3.913 . 0 0 "[ . 1 . 2]" 1
2966 1 180 PHE QD 1 181 GLU H . . 3.810 3.267 2.887 3.685 . 0 0 "[ . 1 . 2]" 1
2967 1 180 PHE QD 1 181 GLU HA . . 4.670 3.648 3.082 4.296 . 0 0 "[ . 1 . 2]" 1
2968 1 180 PHE QD 1 182 GLN H . . 4.880 1.998 1.841 3.140 . 0 0 "[ . 1 . 2]" 1
2969 1 180 PHE QE 1 182 GLN HA . . 5.310 5.003 2.031 5.402 0.092 20 0 "[ . 1 . 2]" 1
2970 1 180 PHE QE 1 182 GLN HB2 . . 4.330 3.315 2.070 4.318 . 0 0 "[ . 1 . 2]" 1
2971 1 180 PHE QE 1 182 GLN HB3 . . 4.330 3.455 2.310 4.174 . 0 0 "[ . 1 . 2]" 1
2972 1 180 PHE HZ 1 182 GLN QB . . 4.880 4.421 3.807 4.849 . 0 0 "[ . 1 . 2]" 1
2973 1 181 GLU H 1 181 GLU HB2 . . 4.080 2.999 2.467 3.790 . 0 0 "[ . 1 . 2]" 1
2974 1 181 GLU H 1 181 GLU QB . . 3.450 2.758 2.430 3.195 . 0 0 "[ . 1 . 2]" 1
2975 1 181 GLU H 1 181 GLU HB3 . . 4.080 3.611 3.226 3.818 . 0 0 "[ . 1 . 2]" 1
2976 1 181 GLU H 1 181 GLU HG2 . . 4.120 3.291 2.162 4.124 0.004 16 0 "[ . 1 . 2]" 1
2977 1 181 GLU H 1 181 GLU QG . . 3.550 2.708 2.092 3.351 . 0 0 "[ . 1 . 2]" 1
2978 1 181 GLU H 1 181 GLU HG3 . . 4.120 3.048 2.417 4.020 . 0 0 "[ . 1 . 2]" 1
2979 1 181 GLU H 1 182 GLN H . . 3.340 3.124 2.327 3.336 . 0 0 "[ . 1 . 2]" 1
2980 1 181 GLU HA 1 181 GLU HG2 . . 3.760 3.027 2.267 3.733 . 0 0 "[ . 1 . 2]" 1
2981 1 181 GLU HA 1 181 GLU HG3 . . 3.760 3.371 2.519 3.799 0.039 9 0 "[ . 1 . 2]" 1
2982 1 181 GLU HA 1 182 GLN H . . 3.300 2.602 2.418 3.070 . 0 0 "[ . 1 . 2]" 1
2983 1 181 GLU QB 1 182 GLN H . . 3.950 3.874 3.649 3.957 0.007 6 0 "[ . 1 . 2]" 1
2984 1 181 GLU QG 1 182 GLN H . . 4.800 4.453 4.236 4.728 . 0 0 "[ . 1 . 2]" 1
2985 1 182 GLN H 1 182 GLN HB2 . . 3.650 2.879 2.174 3.803 0.153 7 0 "[ . 1 . 2]" 1
2986 1 182 GLN H 1 182 GLN QB . . 2.900 2.371 2.153 2.704 . 0 0 "[ . 1 . 2]" 1
2987 1 182 GLN H 1 182 GLN HB3 . . 3.650 3.087 2.315 3.670 0.020 12 0 "[ . 1 . 2]" 1
2988 1 182 GLN H 1 182 GLN QG . . 3.560 2.960 1.999 3.687 0.127 10 0 "[ . 1 . 2]" 1
2989 1 182 GLN H 1 183 MET H . . 3.650 2.702 1.954 3.610 . 0 0 "[ . 1 . 2]" 1
2990 1 182 GLN HA 1 182 GLN QG . . 3.700 2.799 2.117 3.417 . 0 0 "[ . 1 . 2]" 1
2991 1 182 GLN HG2 1 183 MET H . . 5.500 4.123 2.522 5.242 . 0 0 "[ . 1 . 2]" 1
2992 1 182 GLN HG3 1 183 MET H . . 5.500 3.940 1.904 5.441 . 0 0 "[ . 1 . 2]" 1
2993 1 183 MET H 1 183 MET QB . . 3.040 2.396 2.103 3.018 . 0 0 "[ . 1 . 2]" 1
2994 1 183 MET H 1 183 MET HG2 . . 4.220 3.290 2.012 4.415 0.195 11 0 "[ . 1 . 2]" 1
2995 1 183 MET H 1 183 MET HG3 . . 4.220 3.202 2.093 4.099 . 0 0 "[ . 1 . 2]" 1
2996 1 183 MET HA 1 183 MET HG2 . . 4.240 2.882 2.288 4.009 . 0 0 "[ . 1 . 2]" 1
2997 1 183 MET HA 1 183 MET QG . . 3.730 2.686 2.211 3.493 . 0 0 "[ . 1 . 2]" 1
2998 1 183 MET HA 1 183 MET HG3 . . 4.240 3.409 2.754 4.248 0.008 8 0 "[ . 1 . 2]" 1
2999 1 183 MET HA 1 184 GLN H . . 3.160 2.248 2.142 2.515 . 0 0 "[ . 1 . 2]" 1
3000 1 183 MET QB 1 184 GLN H . . 4.000 3.024 2.219 3.687 . 0 0 "[ . 1 . 2]" 1
3001 1 184 GLN H 1 184 GLN QB . . 3.320 2.557 2.206 3.028 . 0 0 "[ . 1 . 2]" 1
3002 1 184 GLN H 1 184 GLN HG2 . . 5.500 3.532 2.146 4.783 . 0 0 "[ . 1 . 2]" 1
3003 1 184 GLN H 1 184 GLN QG . . 4.720 3.134 2.125 4.266 . 0 0 "[ . 1 . 2]" 1
3004 1 184 GLN H 1 184 GLN HG3 . . 5.500 3.792 2.685 4.949 . 0 0 "[ . 1 . 2]" 1
3005 1 184 GLN HA 1 185 ASN H . . 3.100 2.288 2.142 2.532 . 0 0 "[ . 1 . 2]" 1
3006 1 184 GLN QB 1 185 ASN H . . 4.080 3.010 2.202 3.994 . 0 0 "[ . 1 . 2]" 1
3007 1 184 GLN HG2 1 185 ASN H . . 5.500 4.196 2.002 5.042 . 0 0 "[ . 1 . 2]" 1
3008 1 184 GLN HG3 1 185 ASN H . . 5.500 3.956 2.136 5.493 . 0 0 "[ . 1 . 2]" 1
3009 1 185 ASN H 1 185 ASN QB . . 3.660 2.471 2.158 3.179 . 0 0 "[ . 1 . 2]" 1
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