NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603504 |
2nbr   |
25993 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbr
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 1602
_Distance_constraint_stats_list.Viol_count 794
_Distance_constraint_stats_list.Viol_total 887.007
_Distance_constraint_stats_list.Viol_max 0.821
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 2.389 0.821 10 1 "[ . + . 2]"
1 2 LYS 1.210 0.145 18 0 "[ . 1 . 2]"
1 3 ILE 1.019 0.108 19 0 "[ . 1 . 2]"
1 4 THR 0.053 0.045 11 0 "[ . 1 . 2]"
1 5 PHE 0.893 0.142 20 0 "[ . 1 . 2]"
1 6 TYR 0.919 0.111 15 0 "[ . 1 . 2]"
1 7 GLU 0.043 0.013 13 0 "[ . 1 . 2]"
1 8 ASP 0.912 0.116 8 0 "[ . 1 . 2]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.520 0.157 11 0 "[ . 1 . 2]"
1 12 GLN 0.592 0.178 11 0 "[ . 1 . 2]"
1 13 GLY 0.063 0.033 3 0 "[ . 1 . 2]"
1 14 ARG 0.229 0.086 18 0 "[ . 1 . 2]"
1 15 SER 0.144 0.066 7 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.187 0.046 11 0 "[ . 1 . 2]"
1 19 THR 0.727 0.131 10 0 "[ . 1 . 2]"
1 20 THR 0.234 0.131 10 0 "[ . 1 . 2]"
1 21 ASP 0.201 0.079 7 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.242 0.075 7 0 "[ . 1 . 2]"
1 25 LEU 0.328 0.059 16 0 "[ . 1 . 2]"
1 26 GLN 0.626 0.091 11 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.159 0.086 18 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.027 0.027 8 0 "[ . 1 . 2]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 1.626 0.116 8 0 "[ . 1 . 2]"
1 35 ILE 1.011 0.142 20 0 "[ . 1 . 2]"
1 36 ARG 0.053 0.045 11 0 "[ . 1 . 2]"
1 37 VAL 0.289 0.103 10 0 "[ . 1 . 2]"
1 38 GLU 0.085 0.058 4 0 "[ . 1 . 2]"
1 39 SER 1.863 0.821 10 1 "[ . + . 2]"
1 40 GLY 2.003 0.169 9 0 "[ . 1 . 2]"
1 41 CYS 0.479 0.123 11 0 "[ . 1 . 2]"
1 42 TRP 3.230 0.153 15 0 "[ . 1 . 2]"
1 43 MET 1.419 0.123 9 0 "[ . 1 . 2]"
1 44 LEU 0.771 0.178 18 0 "[ . 1 . 2]"
1 45 TYR 1.318 0.134 17 0 "[ . 1 . 2]"
1 46 GLU 0.531 0.083 16 0 "[ . 1 . 2]"
1 47 ARG 0.064 0.041 16 0 "[ . 1 . 2]"
1 48 PRO 0.359 0.049 19 0 "[ . 1 . 2]"
1 49 ASN 0.054 0.031 8 0 "[ . 1 . 2]"
1 50 TYR 0.024 0.021 7 0 "[ . 1 . 2]"
1 51 GLN 0.118 0.041 16 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.750 0.108 14 0 "[ . 1 . 2]"
1 54 GLN 1.319 0.087 20 0 "[ . 1 . 2]"
1 55 TYR 0.180 0.062 7 0 "[ . 1 . 2]"
1 56 LEU 0.173 0.065 15 0 "[ . 1 . 2]"
1 57 LEU 1.138 0.178 18 0 "[ . 1 . 2]"
1 58 ARG 0.131 0.064 18 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.772 0.118 9 0 "[ . 1 . 2]"
1 61 GLU 0.645 0.118 9 0 "[ . 1 . 2]"
1 62 TYR 0.355 0.097 18 0 "[ . 1 . 2]"
1 63 PRO 0.228 0.063 20 0 "[ . 1 . 2]"
1 64 ASP 0.036 0.036 20 0 "[ . 1 . 2]"
1 65 TYR 0.020 0.020 7 0 "[ . 1 . 2]"
1 66 GLN 0.643 0.144 4 0 "[ . 1 . 2]"
1 67 GLN 0.609 0.144 4 0 "[ . 1 . 2]"
1 68 TRP 0.505 0.158 11 0 "[ . 1 . 2]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.457 0.158 11 0 "[ . 1 . 2]"
1 71 LEU 0.463 0.137 2 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.089 0.040 20 0 "[ . 1 . 2]"
1 76 ARG 1.109 0.091 11 0 "[ . 1 . 2]"
1 77 SER 1.722 0.134 17 0 "[ . 1 . 2]"
1 78 CYS 0.558 0.071 4 0 "[ . 1 . 2]"
1 79 CYS 0.561 0.139 8 0 "[ . 1 . 2]"
1 80 LEU 3.899 0.169 9 0 "[ . 1 . 2]"
1 81 ILE 0.005 0.005 9 0 "[ . 1 . 2]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLN 0.849 0.149 5 0 "[ . 1 . 2]"
1 84 THR 0.031 0.031 16 0 "[ . 1 . 2]"
1 85 VAL 0.082 0.076 5 0 "[ . 1 . 2]"
1 86 SER 0.171 0.138 4 0 "[ . 1 . 2]"
1 87 HIS 0.284 0.106 2 0 "[ . 1 . 2]"
1 88 ARG 1.056 0.181 19 0 "[ . 1 . 2]"
1 89 LEU 2.336 0.192 19 0 "[ . 1 . 2]"
1 90 ARG 0.300 0.063 9 0 "[ . 1 . 2]"
1 91 LEU 0.722 0.085 2 0 "[ . 1 . 2]"
1 92 TYR 0.893 0.165 3 0 "[ . 1 . 2]"
1 93 GLU 0.182 0.094 13 0 "[ . 1 . 2]"
1 94 ARG 0.025 0.014 12 0 "[ . 1 . 2]"
1 95 GLU 0.100 0.052 4 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 0.087 0.087 8 0 "[ . 1 . 2]"
1 101 MET 0.261 0.094 13 0 "[ . 1 . 2]"
1 102 MET 0.498 0.139 13 0 "[ . 1 . 2]"
1 103 GLU 0.713 0.139 13 0 "[ . 1 . 2]"
1 104 LEU 0.385 0.128 19 0 "[ . 1 . 2]"
1 105 SER 1.598 0.192 19 0 "[ . 1 . 2]"
1 106 GLU 0.325 0.128 19 0 "[ . 1 . 2]"
1 107 ASP 0.121 0.041 8 0 "[ . 1 . 2]"
1 108 CYS 0.537 0.133 5 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.095 0.095 13 0 "[ . 1 . 2]"
1 111 ILE 0.221 0.070 12 0 "[ . 1 . 2]"
1 112 GLN 0.490 0.156 9 0 "[ . 1 . 2]"
1 113 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ARG 0.130 0.095 13 0 "[ . 1 . 2]"
1 115 PHE 0.496 0.156 9 0 "[ . 1 . 2]"
1 116 HIS 0.037 0.037 16 0 "[ . 1 . 2]"
1 117 LEU 0.463 0.089 6 0 "[ . 1 . 2]"
1 118 SER 0.118 0.073 15 0 "[ . 1 . 2]"
1 119 GLU 0.418 0.089 6 0 "[ . 1 . 2]"
1 120 ILE 0.346 0.096 7 0 "[ . 1 . 2]"
1 121 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 SER 1.772 0.165 3 0 "[ . 1 . 2]"
1 123 LEU 0.962 0.081 2 0 "[ . 1 . 2]"
1 124 HIS 0.017 0.017 11 0 "[ . 1 . 2]"
1 125 VAL 0.490 0.110 12 0 "[ . 1 . 2]"
1 126 LEU 0.933 0.193 10 0 "[ . 1 . 2]"
1 127 GLU 2.037 0.193 10 0 "[ . 1 . 2]"
1 128 GLY 0.148 0.076 5 0 "[ . 1 . 2]"
1 129 CYS 0.031 0.031 16 0 "[ . 1 . 2]"
1 130 TRP 0.670 0.128 15 0 "[ . 1 . 2]"
1 131 VAL 0.278 0.093 5 0 "[ . 1 . 2]"
1 132 LEU 0.276 0.123 18 0 "[ . 1 . 2]"
1 133 TYR 0.097 0.056 3 0 "[ . 1 . 2]"
1 134 GLU 0.376 0.092 17 0 "[ . 1 . 2]"
1 135 LEU 1.008 0.142 3 0 "[ . 1 . 2]"
1 136 PRO 0.180 0.070 12 0 "[ . 1 . 2]"
1 137 ASN 0.894 0.116 6 0 "[ . 1 . 2]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ARG 1.822 0.150 16 0 "[ . 1 . 2]"
1 140 GLY 1.157 0.150 16 0 "[ . 1 . 2]"
1 141 ARG 0.411 0.075 14 0 "[ . 1 . 2]"
1 142 GLN 0.682 0.137 2 0 "[ . 1 . 2]"
1 143 TYR 1.091 0.186 5 0 "[ . 1 . 2]"
1 144 LEU 1.295 0.123 9 0 "[ . 1 . 2]"
1 145 LEU 0.920 0.128 15 0 "[ . 1 . 2]"
1 146 ARG 0.061 0.036 9 0 "[ . 1 . 2]"
1 147 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLN 0.611 0.091 1 0 "[ . 1 . 2]"
1 149 GLU 0.017 0.017 11 0 "[ . 1 . 2]"
1 150 TYR 0.622 0.110 12 0 "[ . 1 . 2]"
1 151 ARG 0.240 0.107 5 0 "[ . 1 . 2]"
1 152 ARG 2.438 0.143 6 0 "[ . 1 . 2]"
1 153 CYS 0.183 0.134 9 0 "[ . 1 . 2]"
1 154 GLN 0.225 0.134 9 0 "[ . 1 . 2]"
1 155 ASP 1.108 0.140 4 0 "[ . 1 . 2]"
1 156 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 ALA 0.472 0.129 15 0 "[ . 1 . 2]"
1 159 MET 0.587 0.186 5 0 "[ . 1 . 2]"
1 160 ASP 0.562 0.129 15 0 "[ . 1 . 2]"
1 161 ALA 0.139 0.047 8 0 "[ . 1 . 2]"
1 162 LYS 0.388 0.094 10 0 "[ . 1 . 2]"
1 163 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 164 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 SER 1.049 0.142 3 0 "[ . 1 . 2]"
1 166 LEU 0.483 0.124 1 0 "[ . 1 . 2]"
1 167 ARG 0.707 0.133 5 0 "[ . 1 . 2]"
1 168 ARG 0.104 0.041 8 0 "[ . 1 . 2]"
1 169 VAL 1.059 0.149 5 0 "[ . 1 . 2]"
1 170 VAL 0.068 0.027 9 0 "[ . 1 . 2]"
1 171 ASP 0.523 0.133 10 0 "[ . 1 . 2]"
1 172 LEU 0.157 0.091 6 0 "[ . 1 . 2]"
1 173 TYR 0.347 0.091 6 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 1 GLY HA3 1 40 GLY H 5.100 . 5.610 5.210 3.540 5.769 0.159 18 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 40 GLY H 5.100 . 5.610 4.775 4.040 5.637 0.027 15 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 39 SER H 5.800 . 6.380 3.985 3.128 4.867 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA3 1 39 SER H 4.800 . 5.280 4.864 3.705 6.101 0.821 10 1 "[ . + . 2]" 1
5 1 1 GLY HA2 1 80 LEU MD1 5.400 . 5.940 5.009 3.440 6.043 0.103 7 0 "[ . 1 . 2]" 1
6 1 1 GLY HA3 1 80 LEU MD1 5.500 . 6.050 4.018 2.107 5.282 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA2 1 2 LYS H 3.300 . 3.630 2.405 2.171 2.999 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY HA3 1 2 LYS H 3.500 . 3.850 2.928 2.241 3.502 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 2 LYS HB2 3.460 . 3.810 3.417 3.109 3.580 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 2 LYS HB3 3.250 . 3.580 3.065 2.599 3.273 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS HB3 1 2 LYS HD3 3.630 . 3.990 3.226 2.977 3.769 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 2 LYS HD3 4.700 . 5.170 4.469 4.216 4.909 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HB3 1 2 LYS HE3 4.620 . 5.080 3.084 2.218 4.190 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HB2 1 2 LYS HE3 4.350 . 4.790 3.714 2.059 4.518 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS H 1 3 ILE HG13 6.000 . 6.600 6.554 6.244 6.708 0.108 19 0 "[ . 1 . 2]" 1
16 1 2 LYS H 1 19 THR MG 5.050 . 5.560 4.519 3.855 5.205 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HD3 1 19 THR HB 6.000 . 6.600 6.128 4.926 6.662 0.062 18 0 "[ . 1 . 2]" 1
18 1 2 LYS H 1 37 VAL MG1 5.900 . 6.490 4.075 3.473 5.356 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS H 1 39 SER H 5.030 . 5.530 2.720 2.412 3.333 . 0 0 "[ . 1 . 2]" 1
20 1 2 LYS H 1 42 TRP HE1 4.000 . 4.400 3.065 2.460 4.545 0.145 18 0 "[ . 1 . 2]" 1
21 1 2 LYS H 1 80 LEU MD1 5.300 . 5.830 5.100 3.791 5.874 0.044 7 0 "[ . 1 . 2]" 1
22 1 2 LYS H 1 80 LEU MD2 6.000 . 6.600 4.899 4.196 6.445 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HB2 1 3 ILE H 4.400 . 4.840 4.057 3.943 4.262 . 0 0 "[ . 1 . 2]" 1
24 1 2 LYS HB3 1 3 ILE H 4.400 . 4.840 3.876 3.743 4.243 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS HA 1 3 ILE H 2.300 . 2.530 2.286 2.170 2.361 . 0 0 "[ . 1 . 2]" 1
26 1 2 LYS HG3 1 3 ILE H 4.060 . 4.470 2.755 2.391 3.384 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE MD 1 44 LEU MD2 4.800 . 5.280 2.103 1.940 2.659 . 0 0 "[ . 1 . 2]" 1
28 1 3 ILE MD 1 57 LEU MD2 5.500 . 6.050 3.983 3.106 4.792 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE MD 1 57 LEU HB3 5.300 . 5.830 3.933 2.971 5.135 . 0 0 "[ . 1 . 2]" 1
30 1 3 ILE MD 1 42 TRP HB2 4.850 . 5.330 2.479 2.046 3.095 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE MD 1 42 TRP HB3 4.500 . 4.950 3.169 2.457 4.200 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE MG 1 42 TRP HD1 5.500 . 6.050 3.621 2.675 4.697 . 0 0 "[ . 1 . 2]" 1
33 1 3 ILE MG 1 42 TRP HE1 5.000 . 5.500 3.752 3.088 4.282 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE QG 1 37 VAL MG2 4.800 . 5.280 2.227 1.842 2.646 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE QG 1 37 VAL HA 4.500 . 4.950 2.933 2.019 3.634 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE HA 1 37 VAL MG1 5.400 . 5.940 3.620 3.059 4.428 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE HA 1 37 VAL MG2 5.400 . 5.940 3.648 3.096 4.428 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE MG 1 18 THR MG 5.200 . 5.720 2.292 1.961 3.261 . 0 0 "[ . 1 . 2]" 1
39 1 2 LYS HA 1 3 ILE MG 5.200 . 5.720 3.518 3.278 3.778 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE HB 1 37 VAL MG1 4.900 . 5.390 3.301 2.503 4.000 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE HB 1 37 VAL HA 4.700 . 5.170 3.725 3.256 4.309 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE HA 1 3 ILE HB 2.800 . 3.080 2.475 2.431 2.545 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE HB 1 18 THR MG 5.830 . 6.410 4.753 4.287 5.817 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE H 1 37 VAL MG2 6.500 . 7.150 5.903 5.385 6.676 . 0 0 "[ . 1 . 2]" 1
45 1 3 ILE H 1 39 SER H 6.000 . 6.600 5.686 5.062 6.196 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE H 1 3 ILE HG12 4.530 . 4.980 4.592 4.469 4.707 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE MD 1 17 GLU HA 6.380 . 7.020 6.192 5.952 6.618 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE MD 1 25 LEU MD1 4.610 . 5.070 4.778 4.234 5.104 0.034 9 0 "[ . 1 . 2]" 1
49 1 3 ILE MD 1 35 ILE MG 6.360 . 7.000 4.291 4.002 4.545 . 0 0 "[ . 1 . 2]" 1
50 1 3 ILE MD 1 42 TRP HD1 5.200 . 5.720 2.621 1.777 4.762 0.023 7 0 "[ . 1 . 2]" 1
51 1 3 ILE MD 1 44 LEU MD1 5.000 . 5.500 2.301 1.888 2.872 . 0 0 "[ . 1 . 2]" 1
52 1 3 ILE H 1 19 THR HA 3.500 . 3.850 3.755 3.410 3.946 0.096 19 0 "[ . 1 . 2]" 1
53 1 3 ILE HB 1 4 THR H 4.000 . 4.400 4.112 4.026 4.178 . 0 0 "[ . 1 . 2]" 1
54 1 3 ILE HG12 1 4 THR H 4.640 . 5.100 2.689 2.343 2.987 . 0 0 "[ . 1 . 2]" 1
55 1 3 ILE HA 1 4 THR H 2.500 . 2.750 2.282 2.217 2.388 . 0 0 "[ . 1 . 2]" 1
56 1 3 ILE H 1 4 THR H 5.000 . 5.500 4.388 4.268 4.451 . 0 0 "[ . 1 . 2]" 1
57 1 3 ILE HG13 1 4 THR H 4.500 . 4.950 2.773 2.605 2.943 . 0 0 "[ . 1 . 2]" 1
58 1 3 ILE MD 1 4 THR H 4.800 . 5.280 4.114 3.888 4.317 . 0 0 "[ . 1 . 2]" 1
59 1 4 THR H 1 4 THR MG 4.200 . 4.620 4.009 3.962 4.048 . 0 0 "[ . 1 . 2]" 1
60 1 4 THR H 1 4 THR HB 3.200 . 3.520 2.926 2.826 3.028 . 0 0 "[ . 1 . 2]" 1
61 1 4 THR H 1 17 GLU HA 5.000 . 5.500 4.718 4.560 4.851 . 0 0 "[ . 1 . 2]" 1
62 1 4 THR H 1 35 ILE QG 4.840 . 5.320 3.311 3.016 3.677 . 0 0 "[ . 1 . 2]" 1
63 1 4 THR H 1 36 ARG H 3.300 . 3.630 3.372 2.937 3.675 0.045 11 0 "[ . 1 . 2]" 1
64 1 4 THR H 1 5 PHE H 5.000 . 5.500 4.148 3.962 4.355 . 0 0 "[ . 1 . 2]" 1
65 1 4 THR HA 1 5 PHE H 2.200 . 2.420 2.158 2.107 2.227 . 0 0 "[ . 1 . 2]" 1
66 1 5 PHE H 1 5 PHE QD 4.690 . 5.160 2.458 2.139 2.865 . 0 0 "[ . 1 . 2]" 1
67 1 4 THR MG 1 5 PHE H 4.760 . 5.240 2.843 2.246 3.259 . 0 0 "[ . 1 . 2]" 1
68 1 5 PHE H 1 5 PHE HB3 4.000 . 4.400 3.648 3.608 3.741 . 0 0 "[ . 1 . 2]" 1
69 1 5 PHE H 1 5 PHE HB2 3.300 . 3.630 2.552 2.475 2.634 . 0 0 "[ . 1 . 2]" 1
70 1 5 PHE HB3 1 6 TYR H 3.730 . 4.100 2.890 2.742 3.039 . 0 0 "[ . 1 . 2]" 1
71 1 5 PHE HB2 1 6 TYR H 4.670 . 5.140 3.856 3.741 3.968 . 0 0 "[ . 1 . 2]" 1
72 1 5 PHE H 1 6 TYR QD 6.000 . 6.600 4.999 4.612 5.242 . 0 0 "[ . 1 . 2]" 1
73 1 5 PHE H 1 15 SER HA 5.000 . 5.500 4.566 4.082 4.963 . 0 0 "[ . 1 . 2]" 1
74 1 5 PHE H 1 16 TYR H 3.200 . 3.520 2.936 2.565 3.293 . 0 0 "[ . 1 . 2]" 1
75 1 5 PHE H 1 18 THR H 5.000 . 5.470 4.957 4.425 5.508 0.038 20 0 "[ . 1 . 2]" 1
76 1 5 PHE H 1 17 GLU HA 3.800 . 4.180 3.582 3.283 3.836 . 0 0 "[ . 1 . 2]" 1
77 1 5 PHE H 1 35 ILE HG12 5.350 . 5.890 5.801 5.300 6.032 0.142 20 0 "[ . 1 . 2]" 1
78 1 5 PHE HA 1 6 TYR H 2.200 . 2.420 2.270 2.231 2.335 . 0 0 "[ . 1 . 2]" 1
79 1 5 PHE QD 1 6 TYR H 5.000 . 5.500 4.138 3.997 4.393 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR H 1 6 TYR HB3 3.700 . 4.070 3.886 3.838 3.933 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR H 1 6 TYR QD 4.980 . 5.480 3.206 3.054 3.497 . 0 0 "[ . 1 . 2]" 1
82 1 6 TYR H 1 11 PHE HD1 5.810 . 6.390 5.578 4.899 6.002 . 0 0 "[ . 1 . 2]" 1
83 1 6 TYR H 1 35 ILE HA 3.200 . 3.520 3.305 3.098 3.511 . 0 0 "[ . 1 . 2]" 1
84 1 6 TYR H 1 35 ILE HG13 4.780 . 5.260 4.215 3.952 4.420 . 0 0 "[ . 1 . 2]" 1
85 1 6 TYR QD 1 7 GLU H 5.980 . 6.580 4.460 4.260 4.670 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR HB3 1 7 GLU H 4.800 . 5.280 3.515 3.295 3.650 . 0 0 "[ . 1 . 2]" 1
87 1 6 TYR HB2 1 7 GLU H 4.570 . 5.030 4.322 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
88 1 6 TYR HA 1 7 GLU H 2.300 . 2.530 2.207 2.164 2.243 . 0 0 "[ . 1 . 2]" 1
89 1 6 TYR H 1 7 GLU H 4.500 . 4.950 4.149 4.069 4.280 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLU H 1 7 GLU HB2 3.850 . 4.230 2.514 2.442 2.573 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLU H 1 7 GLU HB3 3.500 . 3.850 3.656 3.631 3.681 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLU H 1 7 GLU HG3 4.000 . 4.400 2.602 2.401 2.747 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLU HB2 1 7 GLU HG2 3.000 . 3.300 3.013 2.995 3.027 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLU HA 1 8 ASP H 4.300 . 4.730 3.517 3.447 3.560 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLU H 1 14 ARG HB3 4.590 . 5.050 3.601 2.959 4.240 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLU H 1 15 SER HA 4.200 . 4.620 4.247 3.606 4.625 0.005 7 0 "[ . 1 . 2]" 1
97 1 6 TYR HB3 1 8 ASP H 5.000 . 5.500 3.429 3.159 3.718 . 0 0 "[ . 1 . 2]" 1
98 1 6 TYR HB2 1 8 ASP H 5.000 . 5.500 4.437 3.881 4.701 . 0 0 "[ . 1 . 2]" 1
99 1 6 TYR HA 1 8 ASP H 4.640 . 5.100 4.081 3.860 4.357 . 0 0 "[ . 1 . 2]" 1
100 1 6 TYR QD 1 8 ASP H 5.740 . 6.310 5.028 4.785 5.309 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLU H 1 8 ASP H 4.020 . 4.420 2.764 2.701 2.831 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU HB3 1 8 ASP H 3.650 . 4.020 3.729 3.530 4.027 0.007 9 0 "[ . 1 . 2]" 1
103 1 7 GLU HB2 1 8 ASP H 3.650 . 4.020 2.895 2.611 3.292 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLU HG3 1 8 ASP H 5.000 . 5.500 4.652 4.450 4.889 . 0 0 "[ . 1 . 2]" 1
105 1 8 ASP H 1 8 ASP HB2 3.560 . 3.920 2.505 2.429 2.652 . 0 0 "[ . 1 . 2]" 1
106 1 8 ASP H 1 8 ASP HB3 3.960 . 4.360 3.703 3.653 3.801 . 0 0 "[ . 1 . 2]" 1
107 1 8 ASP HA 1 9 ARG H 3.710 . 4.080 2.405 2.291 2.506 . 0 0 "[ . 1 . 2]" 1
108 1 8 ASP HB2 1 9 ARG H 3.670 . 4.040 3.674 3.533 3.824 . 0 0 "[ . 1 . 2]" 1
109 1 8 ASP H 1 9 ARG H 4.760 . 5.240 4.535 4.487 4.587 . 0 0 "[ . 1 . 2]" 1
110 1 8 ASP HB3 1 9 ARG H 3.610 . 3.970 2.434 2.233 2.599 . 0 0 "[ . 1 . 2]" 1
111 1 8 ASP HA 1 9 ARG HA 4.700 . 5.170 4.355 4.297 4.437 . 0 0 "[ . 1 . 2]" 1
112 1 8 ASP HB3 1 13 GLY H 5.090 . 5.600 4.967 4.549 5.455 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASP H 1 13 GLY HA3 4.370 . 4.810 2.472 1.921 3.014 . 0 0 "[ . 1 . 2]" 1
114 1 8 ASP H 1 13 GLY HA2 5.000 . 5.500 4.141 3.486 4.727 . 0 0 "[ . 1 . 2]" 1
115 1 8 ASP HB2 1 14 ARG H 5.000 . 5.500 5.208 4.631 5.522 0.022 8 0 "[ . 1 . 2]" 1
116 1 8 ASP H 1 14 ARG H 3.940 . 4.330 3.993 3.535 4.253 . 0 0 "[ . 1 . 2]" 1
117 1 8 ASP H 1 33 ASN H 4.570 . 5.030 4.250 3.890 4.443 . 0 0 "[ . 1 . 2]" 1
118 1 8 ASP H 1 34 SER HB3 5.640 . 6.200 6.199 5.752 6.316 0.116 8 0 "[ . 1 . 2]" 1
119 1 9 ARG H 1 9 ARG HD2 4.540 . 4.990 3.915 1.833 4.941 . 0 0 "[ . 1 . 2]" 1
120 1 9 ARG H 1 9 ARG HB3 3.470 . 3.820 3.631 3.549 3.727 . 0 0 "[ . 1 . 2]" 1
121 1 9 ARG H 1 9 ARG HG3 3.990 . 4.390 2.781 2.097 3.762 . 0 0 "[ . 1 . 2]" 1
122 1 9 ARG HA 1 10 ALA MB 6.000 . 6.600 4.394 4.363 4.436 . 0 0 "[ . 1 . 2]" 1
123 1 9 ARG HA 1 10 ALA H 3.950 . 4.350 2.474 2.381 2.564 . 0 0 "[ . 1 . 2]" 1
124 1 9 ARG HB3 1 10 ALA H 4.090 . 4.500 2.280 2.087 2.454 . 0 0 "[ . 1 . 2]" 1
125 1 9 ARG HA 1 10 ALA HA 4.950 . 5.440 4.563 4.490 4.647 . 0 0 "[ . 1 . 2]" 1
126 1 9 ARG HB2 1 9 ARG HD2 3.600 . 3.960 3.216 2.382 3.784 . 0 0 "[ . 1 . 2]" 1
127 1 9 ARG HA 1 33 ASN HB3 5.000 . 5.500 3.631 3.231 3.945 . 0 0 "[ . 1 . 2]" 1
128 1 9 ARG HA 1 33 ASN HB2 4.910 . 5.400 3.671 3.182 3.949 . 0 0 "[ . 1 . 2]" 1
129 1 9 ARG HA 1 34 SER HB3 6.080 . 6.690 2.003 1.847 2.187 . 0 0 "[ . 1 . 2]" 1
130 1 10 ALA HA 1 63 PRO HB3 5.200 . 5.720 3.445 2.738 4.333 . 0 0 "[ . 1 . 2]" 1
131 1 10 ALA H 1 12 GLN HB2 5.770 . 6.350 5.497 5.146 5.851 . 0 0 "[ . 1 . 2]" 1
132 1 6 TYR HB3 1 11 PHE H 4.650 . 5.120 4.337 4.191 4.604 . 0 0 "[ . 1 . 2]" 1
133 1 6 TYR QD 1 11 PHE H 4.810 . 5.290 4.856 4.716 4.986 . 0 0 "[ . 1 . 2]" 1
134 1 10 ALA HA 1 11 PHE H 4.660 . 5.130 2.919 2.817 3.024 . 0 0 "[ . 1 . 2]" 1
135 1 10 ALA H 1 11 PHE H 4.790 . 5.270 2.656 2.568 2.741 . 0 0 "[ . 1 . 2]" 1
136 1 10 ALA MB 1 11 PHE H 4.970 . 5.470 3.656 3.601 3.710 . 0 0 "[ . 1 . 2]" 1
137 1 11 PHE H 1 11 PHE HB3 4.040 . 4.440 4.061 4.032 4.096 . 0 0 "[ . 1 . 2]" 1
138 1 11 PHE H 1 11 PHE HB2 4.000 . 4.400 3.658 3.552 3.713 . 0 0 "[ . 1 . 2]" 1
139 1 11 PHE H 1 11 PHE QD 4.720 . 5.190 3.561 3.274 3.676 . 0 0 "[ . 1 . 2]" 1
140 1 11 PHE H 1 63 PRO HB3 5.000 . 5.500 5.172 4.586 5.563 0.063 20 0 "[ . 1 . 2]" 1
141 1 11 PHE H 1 12 GLN H 3.780 . 4.160 2.823 2.593 3.045 . 0 0 "[ . 1 . 2]" 1
142 1 11 PHE H 1 34 SER HB2 5.130 . 5.640 2.790 2.480 2.989 . 0 0 "[ . 1 . 2]" 1
143 1 11 PHE H 1 34 SER HB3 4.480 . 4.930 2.872 2.692 2.986 . 0 0 "[ . 1 . 2]" 1
144 1 6 TYR HB3 1 12 GLN H 4.300 . 4.400 2.726 2.137 3.528 . 0 0 "[ . 1 . 2]" 1
145 1 6 TYR QD 1 12 GLN H 4.860 . 4.950 3.939 3.488 4.831 . 0 0 "[ . 1 . 2]" 1
146 1 8 ASP H 1 12 GLN H 4.000 . 4.400 3.955 3.668 4.425 0.025 14 0 "[ . 1 . 2]" 1
147 1 9 ARG H 1 12 GLN H 5.000 . 5.500 4.767 4.357 4.991 . 0 0 "[ . 1 . 2]" 1
148 1 8 ASP HB3 1 12 GLN H 4.770 . 5.250 4.468 4.018 4.881 . 0 0 "[ . 1 . 2]" 1
149 1 8 ASP H 1 12 GLN HB2 5.700 . 6.270 5.158 4.401 5.778 . 0 0 "[ . 1 . 2]" 1
150 1 8 ASP H 1 12 GLN HB3 5.530 . 6.080 4.289 3.790 4.701 . 0 0 "[ . 1 . 2]" 1
151 1 10 ALA MB 1 12 GLN HE21 5.740 . 6.310 3.617 2.037 4.697 . 0 0 "[ . 1 . 2]" 1
152 1 10 ALA MB 1 12 GLN HE22 5.710 . 6.280 4.160 1.935 5.522 . 0 0 "[ . 1 . 2]" 1
153 1 10 ALA MB 1 12 GLN H 4.620 . 5.080 4.300 3.697 4.758 . 0 0 "[ . 1 . 2]" 1
154 1 11 PHE HB2 1 12 GLN H 5.000 . 5.500 4.439 4.179 4.536 . 0 0 "[ . 1 . 2]" 1
155 1 11 PHE HB3 1 12 GLN H 4.800 . 5.280 4.437 4.358 4.557 . 0 0 "[ . 1 . 2]" 1
156 1 11 PHE HA 1 12 GLN H 3.780 . 4.160 2.581 2.433 2.931 . 0 0 "[ . 1 . 2]" 1
157 1 11 PHE HB3 1 12 GLN HE22 6.000 . 6.600 5.849 4.613 6.757 0.157 11 0 "[ . 1 . 2]" 1
158 1 12 GLN H 1 12 GLN HB2 3.230 . 3.550 2.735 2.303 3.017 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN H 1 12 GLN HE21 4.610 . 5.070 4.135 2.992 5.248 0.178 11 0 "[ . 1 . 2]" 1
160 1 12 GLN H 1 12 GLN HB3 3.320 . 3.650 3.233 2.855 3.650 0.000 17 0 "[ . 1 . 2]" 1
161 1 12 GLN H 1 12 GLN HE22 6.000 . 6.600 5.089 4.026 5.956 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLN HB3 1 12 GLN HE22 4.980 . 5.480 4.975 4.828 5.211 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLN H 1 12 GLN HA 3.000 . 3.300 2.963 2.943 2.983 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLN HA 1 12 GLN HE22 4.940 . 5.430 3.799 3.313 4.757 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLN HA 1 12 GLN HE21 5.310 . 5.840 3.125 2.395 4.370 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLN HB2 1 12 GLN HE21 4.220 . 4.640 2.448 1.882 3.940 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLN HB2 1 12 GLN HE22 5.000 . 5.500 3.767 3.438 4.422 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLN HB2 1 13 GLY H 3.650 . 4.020 3.827 3.521 4.030 0.010 13 0 "[ . 1 . 2]" 1
169 1 12 GLN HB3 1 13 GLY H 3.990 . 4.390 2.779 2.004 3.300 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLN H 1 13 GLY H 4.460 . 4.910 4.465 4.428 4.515 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLN H 1 34 SER HB2 5.500 . 6.050 4.934 4.589 5.228 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLN H 1 34 SER HB3 5.000 . 5.500 4.636 4.458 4.823 . 0 0 "[ . 1 . 2]" 1
173 1 8 ASP H 1 13 GLY H 5.000 . 5.500 4.439 4.009 4.873 . 0 0 "[ . 1 . 2]" 1
174 1 12 GLN HA 1 13 GLY H 3.260 . 3.590 2.528 2.420 2.647 . 0 0 "[ . 1 . 2]" 1
175 1 12 GLN HE22 1 13 GLY H 5.830 . 6.410 5.499 4.757 6.443 0.033 3 0 "[ . 1 . 2]" 1
176 1 13 GLY H 1 14 ARG H 4.690 . 5.160 4.608 4.578 4.648 . 0 0 "[ . 1 . 2]" 1
177 1 7 GLU HB3 1 14 ARG H 3.770 . 4.150 3.908 3.623 4.163 0.013 13 0 "[ . 1 . 2]" 1
178 1 7 GLU HG3 1 14 ARG H 5.780 . 6.360 2.840 2.234 3.465 . 0 0 "[ . 1 . 2]" 1
179 1 7 GLU HG2 1 14 ARG HB2 5.000 . 5.500 4.841 4.170 5.506 0.006 19 0 "[ . 1 . 2]" 1
180 1 13 GLY HA3 1 14 ARG H 3.670 . 4.040 2.319 2.190 2.446 . 0 0 "[ . 1 . 2]" 1
181 1 13 GLY HA2 1 14 ARG H 3.420 . 3.760 2.882 2.724 3.026 . 0 0 "[ . 1 . 2]" 1
182 1 14 ARG H 1 14 ARG HD3 5.600 . 6.160 4.940 4.274 6.022 . 0 0 "[ . 1 . 2]" 1
183 1 14 ARG H 1 14 ARG HB3 3.500 . 3.850 2.531 2.397 2.775 . 0 0 "[ . 1 . 2]" 1
184 1 14 ARG H 1 15 SER HA 5.720 . 6.290 5.422 5.251 5.486 . 0 0 "[ . 1 . 2]" 1
185 1 14 ARG H 1 15 SER H 4.800 . 5.280 4.475 4.363 4.629 . 0 0 "[ . 1 . 2]" 1
186 1 6 TYR HA 1 15 SER H 5.500 . 6.050 4.781 4.613 4.960 . 0 0 "[ . 1 . 2]" 1
187 1 14 ARG HD3 1 15 SER H 5.430 . 5.970 4.323 2.800 5.473 . 0 0 "[ . 1 . 2]" 1
188 1 14 ARG HB3 1 15 SER H 4.500 . 4.950 4.248 3.815 4.372 . 0 0 "[ . 1 . 2]" 1
189 1 14 ARG HA 1 15 SER H 2.800 . 3.080 2.157 2.098 2.300 . 0 0 "[ . 1 . 2]" 1
190 1 15 SER H 1 15 SER HB3 4.000 . 4.400 3.369 2.493 3.861 . 0 0 "[ . 1 . 2]" 1
191 1 4 THR MG 1 16 TYR H 4.000 . 4.400 3.208 2.802 3.631 . 0 0 "[ . 1 . 2]" 1
192 1 4 THR MG 1 16 TYR HA 5.400 . 5.940 4.239 3.792 4.688 . 0 0 "[ . 1 . 2]" 1
193 1 6 TYR H 1 16 TYR H 5.000 . 5.500 5.115 4.976 5.293 . 0 0 "[ . 1 . 2]" 1
194 1 6 TYR HA 1 16 TYR H 4.100 . 4.510 4.192 3.986 4.412 . 0 0 "[ . 1 . 2]" 1
195 1 6 TYR QD 1 16 TYR H 5.530 . 6.080 5.037 4.489 5.399 . 0 0 "[ . 1 . 2]" 1
196 1 15 SER HB2 1 16 TYR H 4.540 . 4.990 3.902 2.631 4.314 . 0 0 "[ . 1 . 2]" 1
197 1 15 SER HB3 1 16 TYR H 4.020 . 4.420 3.718 2.992 4.355 . 0 0 "[ . 1 . 2]" 1
198 1 15 SER HA 1 16 TYR H 2.220 . 2.440 2.198 2.132 2.274 . 0 0 "[ . 1 . 2]" 1
199 1 16 TYR H 1 16 TYR QD 5.020 . 5.520 4.441 4.382 4.501 . 0 0 "[ . 1 . 2]" 1
200 1 16 TYR H 1 17 GLU HB3 5.790 . 6.370 6.081 5.926 6.336 . 0 0 "[ . 1 . 2]" 1
201 1 4 THR MG 1 17 GLU H 5.000 . 5.500 3.613 3.155 4.286 . 0 0 "[ . 1 . 2]" 1
202 1 4 THR MG 1 17 GLU HA 4.100 . 4.510 2.826 2.358 3.284 . 0 0 "[ . 1 . 2]" 1
203 1 4 THR MG 1 17 GLU HB3 5.060 . 5.570 3.817 3.543 4.153 . 0 0 "[ . 1 . 2]" 1
204 1 16 TYR HB2 1 17 GLU H 4.670 . 5.140 4.311 3.994 4.580 . 0 0 "[ . 1 . 2]" 1
205 1 16 TYR HB3 1 17 GLU H 4.710 . 5.180 4.315 3.958 4.516 . 0 0 "[ . 1 . 2]" 1
206 1 16 TYR HA 1 17 GLU H 2.200 . 2.420 2.174 2.083 2.288 . 0 0 "[ . 1 . 2]" 1
207 1 16 TYR QD 1 17 GLU H 4.480 . 4.930 3.302 2.832 4.041 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU H 1 17 GLU HB2 3.480 . 3.830 2.851 2.531 3.186 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLU H 1 17 GLU HB3 4.000 . 4.400 2.537 2.375 2.815 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLU HB3 1 18 THR H 4.400 . 4.840 4.173 3.967 4.374 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLU H 1 18 THR H 4.620 . 5.080 4.462 4.278 4.617 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLU HB2 1 18 THR H 4.200 . 4.620 4.249 4.093 4.355 . 0 0 "[ . 1 . 2]" 1
213 1 2 LYS HG2 1 18 THR H 5.000 . 5.500 4.459 3.960 5.546 0.046 11 0 "[ . 1 . 2]" 1
214 1 3 ILE H 1 18 THR H 3.300 . 3.630 3.381 2.880 3.649 0.019 15 0 "[ . 1 . 2]" 1
215 1 3 ILE MG 1 18 THR H 4.880 . 5.370 2.857 2.713 3.189 . 0 0 "[ . 1 . 2]" 1
216 1 3 ILE MD 1 18 THR H 5.100 . 5.610 5.461 5.227 5.645 0.035 16 0 "[ . 1 . 2]" 1
217 1 4 THR MG 1 18 THR H 4.830 . 5.310 4.688 4.253 5.119 . 0 0 "[ . 1 . 2]" 1
218 1 16 TYR QD 1 18 THR H 5.500 . 6.050 5.117 4.615 5.675 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU HA 1 18 THR H 2.200 . 2.420 2.207 2.151 2.306 . 0 0 "[ . 1 . 2]" 1
220 1 18 THR H 1 18 THR MG 4.200 . 4.620 2.794 2.298 4.018 . 0 0 "[ . 1 . 2]" 1
221 1 18 THR HB 1 20 THR H 5.090 . 5.600 4.187 3.880 4.595 . 0 0 "[ . 1 . 2]" 1
222 1 18 THR H 1 19 THR H 5.000 . 5.500 4.350 4.239 4.415 . 0 0 "[ . 1 . 2]" 1
223 1 18 THR HA 1 19 THR H 3.770 . 4.150 2.285 2.193 2.448 . 0 0 "[ . 1 . 2]" 1
224 1 18 THR HB 1 19 THR H 4.840 . 5.320 3.875 3.685 4.083 . 0 0 "[ . 1 . 2]" 1
225 1 18 THR MG 1 19 THR H 5.000 . 5.500 3.387 2.325 3.946 . 0 0 "[ . 1 . 2]" 1
226 1 19 THR H 1 20 THR H 3.490 . 3.840 2.130 1.669 2.398 0.131 10 0 "[ . 1 . 2]" 1
227 1 19 THR HA 1 20 THR H 4.360 . 4.800 3.121 2.902 3.439 . 0 0 "[ . 1 . 2]" 1
228 1 19 THR MG 1 20 THR H 4.150 . 4.570 4.337 3.826 4.496 . 0 0 "[ . 1 . 2]" 1
229 1 20 THR H 1 21 ASP H 4.800 . 5.280 4.433 4.358 4.557 . 0 0 "[ . 1 . 2]" 1
230 1 20 THR HA 1 21 ASP H 4.080 . 4.490 2.392 2.249 2.690 . 0 0 "[ . 1 . 2]" 1
231 1 20 THR H 1 80 LEU MD2 5.000 . 5.500 3.935 3.013 5.464 . 0 0 "[ . 1 . 2]" 1
232 1 20 THR HB 1 21 ASP H 3.530 . 3.880 3.101 1.896 3.920 0.040 6 0 "[ . 1 . 2]" 1
233 1 20 THR MG 1 21 ASP H 4.360 . 4.800 2.771 1.782 3.690 0.018 4 0 "[ . 1 . 2]" 1
234 1 21 ASP H 1 21 ASP HB3 3.600 . 3.960 3.620 3.588 3.657 . 0 0 "[ . 1 . 2]" 1
235 1 21 ASP H 1 21 ASP HB2 3.760 . 4.140 2.582 2.462 2.754 . 0 0 "[ . 1 . 2]" 1
236 1 21 ASP HA 1 22 CYS H 2.200 . 2.420 2.280 2.181 2.407 . 0 0 "[ . 1 . 2]" 1
237 1 21 ASP H 1 80 LEU MD2 5.920 . 6.510 4.758 3.637 5.508 . 0 0 "[ . 1 . 2]" 1
238 1 21 ASP H 1 80 LEU HB3 4.200 . 4.620 3.459 2.963 4.345 . 0 0 "[ . 1 . 2]" 1
239 1 21 ASP HA 1 79 CYS HB3 5.000 . 5.500 5.170 4.602 5.579 0.079 7 0 "[ . 1 . 2]" 1
240 1 21 ASP HB2 1 22 CYS H 4.290 . 4.720 3.979 3.662 4.335 . 0 0 "[ . 1 . 2]" 1
241 1 21 ASP HB3 1 22 CYS H 3.890 . 4.280 3.009 2.612 3.624 . 0 0 "[ . 1 . 2]" 1
242 1 21 ASP H 1 22 CYS H 4.910 . 5.400 4.618 4.477 4.692 . 0 0 "[ . 1 . 2]" 1
243 1 18 THR MG 1 22 CYS H 5.300 . 5.830 4.904 4.105 5.398 . 0 0 "[ . 1 . 2]" 1
244 1 22 CYS H 1 79 CYS HA 4.000 . 4.400 3.775 3.263 4.084 . 0 0 "[ . 1 . 2]" 1
245 1 22 CYS H 1 79 CYS HB3 6.000 . 6.600 6.221 5.515 6.565 . 0 0 "[ . 1 . 2]" 1
246 1 22 CYS H 1 78 CYS HA 5.100 . 5.610 4.893 4.759 5.079 . 0 0 "[ . 1 . 2]" 1
247 1 22 CYS H 1 78 CYS HB2 4.700 . 5.170 4.391 4.022 4.890 . 0 0 "[ . 1 . 2]" 1
248 1 22 CYS H 1 78 CYS HB3 4.900 . 5.390 4.823 4.433 5.289 . 0 0 "[ . 1 . 2]" 1
249 1 22 CYS H 1 50 TYR QE 5.300 . 5.830 3.417 2.661 4.234 . 0 0 "[ . 1 . 2]" 1
250 1 22 CYS H 1 23 PRO HD2 6.000 . 6.600 4.737 4.288 5.221 . 0 0 "[ . 1 . 2]" 1
251 1 22 CYS HA 1 24 ASN H 4.300 . 4.730 3.775 3.442 4.393 . 0 0 "[ . 1 . 2]" 1
252 1 23 PRO HG3 1 24 ASN H 4.400 . 4.840 4.255 3.674 4.656 . 0 0 "[ . 1 . 2]" 1
253 1 23 PRO HD3 1 24 ASN H 4.010 . 4.410 3.943 3.736 4.116 . 0 0 "[ . 1 . 2]" 1
254 1 23 PRO HB3 1 24 ASN H 4.600 . 5.060 4.227 3.958 4.485 . 0 0 "[ . 1 . 2]" 1
255 1 24 ASN H 1 24 ASN HB2 3.900 . 4.290 2.748 2.608 2.830 . 0 0 "[ . 1 . 2]" 1
256 1 24 ASN H 1 24 ASN HD22 5.310 . 5.840 5.172 4.708 5.532 . 0 0 "[ . 1 . 2]" 1
257 1 24 ASN H 1 24 ASN HB3 4.000 . 4.400 3.844 3.762 3.893 . 0 0 "[ . 1 . 2]" 1
258 1 24 ASN H 1 25 LEU HA 4.950 . 5.440 4.737 4.556 4.875 . 0 0 "[ . 1 . 2]" 1
259 1 24 ASN H 1 25 LEU MD1 6.000 . 6.600 5.817 5.361 6.086 . 0 0 "[ . 1 . 2]" 1
260 1 24 ASN HB3 1 48 PRO HB3 4.300 . 4.730 4.115 3.539 4.751 0.021 13 0 "[ . 1 . 2]" 1
261 1 24 ASN H 1 77 SER HB3 6.830 . 7.510 6.612 5.293 7.086 . 0 0 "[ . 1 . 2]" 1
262 1 24 ASN H 1 77 SER HB2 6.000 . 6.600 5.358 5.017 6.506 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASN HD22 1 48 PRO HB2 3.500 . 3.850 2.907 2.385 3.811 . 0 0 "[ . 1 . 2]" 1
264 1 24 ASN HD22 1 26 GLN HG2 5.700 . 6.270 5.433 4.545 6.345 0.075 7 0 "[ . 1 . 2]" 1
265 1 24 ASN HD21 1 26 GLN HG3 5.000 . 5.500 3.559 2.816 4.420 . 0 0 "[ . 1 . 2]" 1
266 1 24 ASN H 1 25 LEU H 4.740 . 5.210 3.777 3.459 3.969 . 0 0 "[ . 1 . 2]" 1
267 1 24 ASN HA 1 25 LEU H 3.860 . 4.250 2.239 2.186 2.351 . 0 0 "[ . 1 . 2]" 1
268 1 24 ASN HB2 1 25 LEU H 4.970 . 5.470 4.495 4.413 4.555 . 0 0 "[ . 1 . 2]" 1
269 1 24 ASN HB3 1 25 LEU H 5.170 . 5.690 4.026 3.868 4.256 . 0 0 "[ . 1 . 2]" 1
270 1 24 ASN HD22 1 25 LEU H 6.000 . 6.600 6.111 5.736 6.648 0.048 6 0 "[ . 1 . 2]" 1
271 1 25 LEU H 1 25 LEU HB3 4.050 . 4.460 3.621 3.595 3.652 . 0 0 "[ . 1 . 2]" 1
272 1 25 LEU H 1 26 GLN H 4.220 . 4.640 2.529 2.418 2.640 . 0 0 "[ . 1 . 2]" 1
273 1 25 LEU H 1 48 PRO HB2 5.700 . 6.270 5.294 4.399 6.143 . 0 0 "[ . 1 . 2]" 1
274 1 25 LEU H 1 76 ARG HA 5.350 . 5.890 3.567 3.191 3.830 . 0 0 "[ . 1 . 2]" 1
275 1 25 LEU MD1 1 77 SER HA 4.100 . 4.510 2.884 2.543 3.123 . 0 0 "[ . 1 . 2]" 1
276 1 25 LEU MD1 1 78 CYS HB3 4.100 . 4.510 2.030 1.741 2.406 0.059 16 0 "[ . 1 . 2]" 1
277 1 16 TYR QD 1 25 LEU MD2 5.000 . 5.500 2.709 2.351 3.478 . 0 0 "[ . 1 . 2]" 1
278 1 24 ASN HA 1 26 GLN H 4.330 . 4.760 3.015 2.827 3.272 . 0 0 "[ . 1 . 2]" 1
279 1 24 ASN HD21 1 26 GLN H 4.610 . 5.070 4.405 4.055 4.883 . 0 0 "[ . 1 . 2]" 1
280 1 25 LEU HB3 1 26 GLN H 4.520 . 4.970 4.234 4.060 4.428 . 0 0 "[ . 1 . 2]" 1
281 1 25 LEU HA 1 26 GLN H 3.800 . 4.180 3.291 3.116 3.408 . 0 0 "[ . 1 . 2]" 1
282 1 25 LEU HB2 1 26 GLN H 4.750 . 5.220 3.574 3.325 3.885 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLN HB3 1 26 GLN HE22 4.850 . 5.330 4.606 4.270 4.728 . 0 0 "[ . 1 . 2]" 1
284 1 26 GLN HB3 1 26 GLN HE21 4.440 . 4.880 4.332 3.786 4.491 . 0 0 "[ . 1 . 2]" 1
285 1 26 GLN H 1 26 GLN HB3 3.430 . 3.770 3.615 3.584 3.635 . 0 0 "[ . 1 . 2]" 1
286 1 26 GLN H 1 76 ARG HB3 4.230 . 4.650 4.166 3.684 4.586 . 0 0 "[ . 1 . 2]" 1
287 1 26 GLN HE21 1 76 ARG HD3 5.000 . 5.500 2.682 2.140 4.827 . 0 0 "[ . 1 . 2]" 1
288 1 26 GLN HE21 1 48 PRO HG2 4.000 . 4.400 3.706 2.292 4.435 0.035 20 0 "[ . 1 . 2]" 1
289 1 26 GLN HE22 1 76 ARG HD3 4.630 . 5.090 2.183 1.709 4.530 0.091 11 0 "[ . 1 . 2]" 1
290 1 26 GLN H 1 48 PRO HB3 5.000 . 5.500 4.179 3.428 4.980 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU HB3 1 28 TYR H 5.200 . 5.720 4.622 4.319 4.821 . 0 0 "[ . 1 . 2]" 1
292 1 26 GLN H 1 28 TYR H 4.730 . 5.200 4.328 4.120 4.432 . 0 0 "[ . 1 . 2]" 1
293 1 26 GLN HA 1 28 TYR H 4.270 . 4.700 4.013 3.631 4.290 . 0 0 "[ . 1 . 2]" 1
294 1 27 PRO HA 1 28 TYR H 4.000 . 4.400 3.425 3.175 3.518 . 0 0 "[ . 1 . 2]" 1
295 1 27 PRO HD3 1 28 TYR H 4.400 . 4.840 4.025 3.862 4.239 . 0 0 "[ . 1 . 2]" 1
296 1 27 PRO HG3 1 28 TYR H 4.900 . 5.390 4.515 4.066 4.922 . 0 0 "[ . 1 . 2]" 1
297 1 28 TYR H 1 28 TYR HB2 3.750 . 4.130 2.608 2.493 2.740 . 0 0 "[ . 1 . 2]" 1
298 1 28 TYR H 1 28 TYR HB3 3.760 . 4.140 3.684 3.624 3.812 . 0 0 "[ . 1 . 2]" 1
299 1 28 TYR H 1 29 PHE HB3 5.400 . 5.940 5.507 5.355 5.625 . 0 0 "[ . 1 . 2]" 1
300 1 28 TYR H 1 29 PHE HA 5.000 . 5.500 4.755 4.382 4.966 . 0 0 "[ . 1 . 2]" 1
301 1 26 GLN HA 1 29 PHE H 4.110 . 4.520 3.795 3.381 4.303 . 0 0 "[ . 1 . 2]" 1
302 1 28 TYR HA 1 29 PHE H 4.370 . 4.810 3.574 3.558 3.589 . 0 0 "[ . 1 . 2]" 1
303 1 28 TYR HB3 1 29 PHE H 4.210 . 4.630 3.546 3.274 3.787 . 0 0 "[ . 1 . 2]" 1
304 1 28 TYR HB2 1 29 PHE H 4.040 . 4.440 2.327 2.187 2.487 . 0 0 "[ . 1 . 2]" 1
305 1 29 PHE H 1 29 PHE HB3 4.060 . 4.470 3.479 3.360 3.570 . 0 0 "[ . 1 . 2]" 1
306 1 29 PHE H 1 30 SER H 5.000 . 5.500 4.369 4.298 4.407 . 0 0 "[ . 1 . 2]" 1
307 1 28 TYR H 1 29 PHE H 5.000 . 5.500 2.364 2.099 2.561 . 0 0 "[ . 1 . 2]" 1
308 1 25 LEU HB3 1 29 PHE H 5.000 . 5.500 3.702 3.290 3.951 . 0 0 "[ . 1 . 2]" 1
309 1 29 PHE HB3 1 30 SER H 4.040 . 4.440 3.742 3.625 4.018 . 0 0 "[ . 1 . 2]" 1
310 1 29 PHE H 1 31 ARG H 6.000 . 6.600 5.602 5.261 5.854 . 0 0 "[ . 1 . 2]" 1
311 1 7 GLU HG3 1 30 SER H 4.780 . 5.260 4.618 4.027 5.271 0.011 4 0 "[ . 1 . 2]" 1
312 1 14 ARG HB3 1 30 SER H 5.430 . 5.970 5.390 4.594 6.056 0.086 18 0 "[ . 1 . 2]" 1
313 1 29 PHE HA 1 30 SER H 3.700 . 4.070 2.532 2.316 2.655 . 0 0 "[ . 1 . 2]" 1
314 1 30 SER HB3 1 31 ARG H 4.590 . 5.050 4.223 3.991 4.430 . 0 0 "[ . 1 . 2]" 1
315 1 30 SER H 1 31 ARG H 4.430 . 4.870 1.973 1.855 2.235 . 0 0 "[ . 1 . 2]" 1
316 1 7 GLU HG3 1 31 ARG H 4.770 . 5.250 4.516 4.014 4.955 . 0 0 "[ . 1 . 2]" 1
317 1 30 SER HA 1 31 ARG H 4.160 . 4.580 3.452 3.259 3.546 . 0 0 "[ . 1 . 2]" 1
318 1 31 ARG H 1 31 ARG HB3 4.160 . 4.580 3.351 3.207 3.459 . 0 0 "[ . 1 . 2]" 1
319 1 7 GLU H 1 32 CYS HA 4.700 . 5.170 4.137 3.991 4.329 . 0 0 "[ . 1 . 2]" 1
320 1 7 GLU HA 1 32 CYS H 4.950 . 5.440 4.119 3.905 4.388 . 0 0 "[ . 1 . 2]" 1
321 1 31 ARG HA 1 32 CYS H 4.230 . 4.650 2.376 2.195 2.515 . 0 0 "[ . 1 . 2]" 1
322 1 31 ARG HB3 1 32 CYS H 4.740 . 5.210 3.772 3.565 3.982 . 0 0 "[ . 1 . 2]" 1
323 1 32 CYS HA 1 33 ASN H 3.890 . 4.280 2.228 2.190 2.281 . 0 0 "[ . 1 . 2]" 1
324 1 32 CYS H 1 33 ASN H 5.550 . 6.110 3.603 3.297 4.055 . 0 0 "[ . 1 . 2]" 1
325 1 32 CYS HA 1 34 SER H 3.810 . 4.190 3.410 3.233 3.735 . 0 0 "[ . 1 . 2]" 1
326 1 32 CYS H 1 74 SER HA 4.500 . 4.950 3.628 3.041 4.804 . 0 0 "[ . 1 . 2]" 1
327 1 32 CYS HB3 1 33 ASN H 4.470 . 4.920 4.499 4.355 4.544 . 0 0 "[ . 1 . 2]" 1
328 1 32 CYS HB2 1 33 ASN H 4.340 . 4.770 4.561 4.405 4.629 . 0 0 "[ . 1 . 2]" 1
329 1 5 PHE HB3 1 34 SER H 5.880 . 6.470 5.934 5.628 6.243 . 0 0 "[ . 1 . 2]" 1
330 1 6 TYR H 1 34 SER H 3.300 . 3.630 3.649 3.497 3.741 0.111 15 0 "[ . 1 . 2]" 1
331 1 6 TYR HB2 1 34 SER H 5.100 . 5.610 3.316 3.113 3.516 . 0 0 "[ . 1 . 2]" 1
332 1 6 TYR HB3 1 34 SER H 4.680 . 5.150 4.463 4.220 4.711 . 0 0 "[ . 1 . 2]" 1
333 1 7 GLU HA 1 34 SER H 4.460 . 4.910 4.414 4.206 4.659 . 0 0 "[ . 1 . 2]" 1
334 1 8 ASP H 1 34 SER H 5.000 . 5.500 4.838 4.213 5.211 . 0 0 "[ . 1 . 2]" 1
335 1 9 ARG HA 1 34 SER H 4.420 . 4.860 4.020 3.658 4.323 . 0 0 "[ . 1 . 2]" 1
336 1 32 CYS HB2 1 34 SER H 5.000 . 5.500 5.140 4.880 5.527 0.027 8 0 "[ . 1 . 2]" 1
337 1 33 ASN HB3 1 34 SER H 4.390 . 4.830 4.069 3.552 4.301 . 0 0 "[ . 1 . 2]" 1
338 1 33 ASN HB2 1 34 SER H 4.400 . 4.840 3.370 2.723 3.775 . 0 0 "[ . 1 . 2]" 1
339 1 33 ASN HA 1 34 SER H 4.200 . 4.620 3.404 3.288 3.560 . 0 0 "[ . 1 . 2]" 1
340 1 34 SER HA 1 35 ILE MD 6.000 . 6.600 5.830 5.647 6.012 . 0 0 "[ . 1 . 2]" 1
341 1 34 SER HB3 1 35 ILE MG 6.000 . 6.600 5.469 5.322 5.688 . 0 0 "[ . 1 . 2]" 1
342 1 34 SER HB3 1 35 ILE H 4.110 . 4.520 4.008 3.888 4.200 . 0 0 "[ . 1 . 2]" 1
343 1 34 SER HA 1 35 ILE H 2.500 . 2.750 2.367 2.225 2.483 . 0 0 "[ . 1 . 2]" 1
344 1 34 SER HB2 1 35 ILE H 4.000 . 4.400 2.773 2.561 3.105 . 0 0 "[ . 1 . 2]" 1
345 1 35 ILE H 1 64 ASP H 5.000 . 5.500 4.586 4.189 4.976 . 0 0 "[ . 1 . 2]" 1
346 1 11 PHE QD 1 35 ILE H 4.800 . 5.280 4.199 3.647 4.677 . 0 0 "[ . 1 . 2]" 1
347 1 35 ILE H 1 35 ILE MG 4.430 . 4.870 2.443 2.276 2.531 . 0 0 "[ . 1 . 2]" 1
348 1 35 ILE MD 1 37 VAL MG2 5.300 . 5.830 2.725 2.452 3.273 . 0 0 "[ . 1 . 2]" 1
349 1 35 ILE MD 1 44 LEU HG 5.000 . 5.500 3.128 2.324 4.137 . 0 0 "[ . 1 . 2]" 1
350 1 35 ILE MD 1 44 LEU MD2 4.500 . 4.950 2.946 2.306 3.512 . 0 0 "[ . 1 . 2]" 1
351 1 35 ILE MD 1 57 LEU MD1 4.500 . 4.950 3.026 2.263 4.126 . 0 0 "[ . 1 . 2]" 1
352 1 35 ILE MG 1 36 ARG HA 5.910 . 6.500 4.117 3.716 4.489 . 0 0 "[ . 1 . 2]" 1
353 1 35 ILE MG 1 36 ARG H 4.640 . 5.100 3.935 3.505 4.237 . 0 0 "[ . 1 . 2]" 1
354 1 3 ILE QG 1 35 ILE QG 4.500 . 4.950 2.690 2.552 2.876 . 0 0 "[ . 1 . 2]" 1
355 1 35 ILE MG 1 57 LEU MD1 5.000 . 5.500 2.683 1.979 4.260 . 0 0 "[ . 1 . 2]" 1
356 1 5 PHE HA 1 36 ARG H 4.000 . 4.400 3.916 3.622 4.142 . 0 0 "[ . 1 . 2]" 1
357 1 4 THR HB 1 36 ARG H 4.580 . 5.040 3.379 3.101 3.653 . 0 0 "[ . 1 . 2]" 1
358 1 4 THR MG 1 36 ARG H 5.200 . 5.720 4.307 4.033 4.533 . 0 0 "[ . 1 . 2]" 1
359 1 35 ILE HG13 1 36 ARG H 5.000 . 5.500 2.983 2.687 3.438 . 0 0 "[ . 1 . 2]" 1
360 1 35 ILE HA 1 36 ARG H 2.200 . 2.420 2.198 2.101 2.330 . 0 0 "[ . 1 . 2]" 1
361 1 35 ILE HB 1 36 ARG H 5.000 . 5.500 4.178 4.031 4.342 . 0 0 "[ . 1 . 2]" 1
362 1 4 THR H 1 37 VAL MG2 5.000 . 5.500 4.063 3.665 4.499 . 0 0 "[ . 1 . 2]" 1
363 1 36 ARG H 1 37 VAL H 4.600 . 5.060 4.016 3.790 4.314 . 0 0 "[ . 1 . 2]" 1
364 1 36 ARG HB2 1 37 VAL H 4.480 . 4.930 4.547 4.206 4.710 . 0 0 "[ . 1 . 2]" 1
365 1 36 ARG H 1 37 VAL MG2 6.000 . 6.600 4.345 3.925 4.779 . 0 0 "[ . 1 . 2]" 1
366 1 36 ARG HA 1 37 VAL H 2.300 . 2.530 2.217 2.134 2.342 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL H 1 37 VAL HB 4.180 . 4.600 2.585 2.358 2.701 . 0 0 "[ . 1 . 2]" 1
368 1 37 VAL MG1 1 38 GLU H 4.210 . 4.630 3.231 3.019 3.532 . 0 0 "[ . 1 . 2]" 1
369 1 37 VAL MG1 1 39 SER HA 5.820 . 6.400 3.315 2.808 4.391 . 0 0 "[ . 1 . 2]" 1
370 1 37 VAL MG1 1 42 TRP H 5.800 . 6.380 3.815 3.124 5.159 . 0 0 "[ . 1 . 2]" 1
371 1 37 VAL MG1 1 42 TRP HB2 6.370 . 7.010 4.264 3.264 6.170 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL MG1 1 44 LEU MD2 6.000 . 6.600 5.013 4.443 5.794 . 0 0 "[ . 1 . 2]" 1
373 1 37 VAL MG1 1 58 ARG HA 5.410 . 5.950 3.657 2.575 4.184 . 0 0 "[ . 1 . 2]" 1
374 1 37 VAL H 1 59 ARG HA 5.000 . 5.500 4.774 4.031 5.383 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL H 1 61 GLU HA 3.740 . 4.110 3.390 2.469 4.067 . 0 0 "[ . 1 . 2]" 1
376 1 37 VAL MG1 1 59 ARG HB3 5.010 . 5.510 4.619 4.325 5.179 . 0 0 "[ . 1 . 2]" 1
377 1 37 VAL H 1 60 GLY H 3.300 . 3.630 3.343 2.768 3.733 0.103 10 0 "[ . 1 . 2]" 1
378 1 37 VAL MG1 1 59 ARG HA 4.890 . 5.380 2.275 1.810 2.827 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL MG2 1 60 GLY H 5.070 . 5.580 3.769 3.226 4.240 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL HA 1 38 GLU H 2.200 . 2.420 2.164 2.131 2.196 . 0 0 "[ . 1 . 2]" 1
381 1 37 VAL HB 1 38 GLU H 5.000 . 5.500 4.387 4.308 4.483 . 0 0 "[ . 1 . 2]" 1
382 1 37 VAL H 1 38 GLU H 4.800 . 5.280 4.243 3.998 4.384 . 0 0 "[ . 1 . 2]" 1
383 1 2 LYS HB3 1 38 GLU H 5.000 . 5.500 3.969 3.362 4.769 . 0 0 "[ . 1 . 2]" 1
384 1 38 GLU H 1 38 GLU HB3 3.590 . 3.950 2.554 2.412 3.567 . 0 0 "[ . 1 . 2]" 1
385 1 38 GLU H 1 39 SER H 3.810 . 4.190 2.702 2.481 2.954 . 0 0 "[ . 1 . 2]" 1
386 1 38 GLU H 1 39 SER HA 5.200 . 5.720 5.082 4.816 5.185 . 0 0 "[ . 1 . 2]" 1
387 1 2 LYS HA 1 39 SER H 5.000 . 5.500 5.112 4.824 5.428 . 0 0 "[ . 1 . 2]" 1
388 1 2 LYS HB3 1 39 SER HB3 5.900 . 6.490 5.981 4.187 6.610 0.120 8 0 "[ . 1 . 2]" 1
389 1 38 GLU HA 1 39 SER H 3.600 . 3.960 3.536 3.494 3.589 . 0 0 "[ . 1 . 2]" 1
390 1 39 SER H 1 39 SER HB2 4.000 . 4.400 4.012 3.922 4.076 . 0 0 "[ . 1 . 2]" 1
391 1 39 SER H 1 39 SER HB3 4.100 . 4.510 3.599 3.457 3.725 . 0 0 "[ . 1 . 2]" 1
392 1 37 VAL MG1 1 39 SER H 4.500 . 4.950 2.812 2.414 3.790 . 0 0 "[ . 1 . 2]" 1
393 1 37 VAL HA 1 39 SER H 4.000 . 4.400 3.957 3.681 4.374 . 0 0 "[ . 1 . 2]" 1
394 1 38 GLU HB2 1 39 SER H 3.500 . 3.850 3.727 3.139 3.908 0.058 4 0 "[ . 1 . 2]" 1
395 1 38 GLU HB3 1 39 SER H 4.100 . 4.510 2.490 2.198 3.730 . 0 0 "[ . 1 . 2]" 1
396 1 38 GLU HG2 1 39 SER H 5.000 . 5.500 4.061 3.240 4.912 . 0 0 "[ . 1 . 2]" 1
397 1 39 SER HA 1 40 GLY H 3.690 . 4.060 2.338 2.193 2.636 . 0 0 "[ . 1 . 2]" 1
398 1 39 SER HB2 1 40 GLY H 4.200 . 4.620 2.775 2.224 3.509 . 0 0 "[ . 1 . 2]" 1
399 1 39 SER HB3 1 40 GLY H 4.000 . 4.400 3.902 3.696 4.318 . 0 0 "[ . 1 . 2]" 1
400 1 40 GLY H 1 59 ARG HB2 4.500 . 4.950 2.904 2.133 4.191 . 0 0 "[ . 1 . 2]" 1
401 1 40 GLY H 1 41 CYS H 4.710 . 5.180 4.465 4.373 4.502 . 0 0 "[ . 1 . 2]" 1
402 1 40 GLY H 1 172 LEU H 6.000 . 6.600 3.532 2.511 4.353 . 0 0 "[ . 1 . 2]" 1
403 1 40 GLY HA2 1 173 TYR HB3 6.250 . 6.870 5.898 4.506 6.647 . 0 0 "[ . 1 . 2]" 1
404 1 40 GLY H 1 173 TYR HA 5.000 . 5.500 3.848 2.746 4.861 . 0 0 "[ . 1 . 2]" 1
405 1 40 GLY HA3 1 80 LEU MD1 4.700 . 5.170 4.594 2.110 5.339 0.169 9 0 "[ . 1 . 2]" 1
406 1 40 GLY HA2 1 80 LEU MD1 6.000 . 6.600 5.573 3.215 6.473 . 0 0 "[ . 1 . 2]" 1
407 1 40 GLY HA3 1 41 CYS H 3.840 . 4.220 2.523 2.439 2.596 . 0 0 "[ . 1 . 2]" 1
408 1 40 GLY HA2 1 41 CYS H 3.700 . 4.070 2.527 2.424 2.612 . 0 0 "[ . 1 . 2]" 1
409 1 41 CYS H 1 41 CYS HB3 4.050 . 4.460 3.817 3.754 3.877 . 0 0 "[ . 1 . 2]" 1
410 1 41 CYS H 1 80 LEU MD1 5.800 . 6.380 4.785 2.652 5.765 . 0 0 "[ . 1 . 2]" 1
411 1 41 CYS H 1 80 LEU MD2 5.300 . 5.830 5.623 5.082 5.953 0.123 11 0 "[ . 1 . 2]" 1
412 1 41 CYS H 1 169 VAL MG2 6.000 . 6.600 6.239 5.494 6.719 0.119 10 0 "[ . 1 . 2]" 1
413 1 1 GLY HA3 1 42 TRP HE1 5.000 . 5.500 4.383 2.965 5.205 . 0 0 "[ . 1 . 2]" 1
414 1 2 LYS HA 1 42 TRP HE1 5.100 . 5.610 3.954 3.558 4.799 . 0 0 "[ . 1 . 2]" 1
415 1 3 ILE MD 1 42 TRP HE1 5.980 . 6.580 4.259 3.908 4.828 . 0 0 "[ . 1 . 2]" 1
416 1 40 GLY HA3 1 42 TRP HE1 4.600 . 5.060 3.954 3.255 5.151 0.091 18 0 "[ . 1 . 2]" 1
417 1 40 GLY HA2 1 42 TRP HE1 6.000 . 6.600 5.607 4.981 6.707 0.107 18 0 "[ . 1 . 2]" 1
418 1 37 VAL MG1 1 42 TRP HE1 6.000 . 6.600 2.997 1.970 6.461 . 0 0 "[ . 1 . 2]" 1
419 1 41 CYS H 1 42 TRP H 5.500 . 6.050 3.993 3.730 4.267 . 0 0 "[ . 1 . 2]" 1
420 1 41 CYS HA 1 42 TRP H 2.300 . 2.530 2.174 2.134 2.298 . 0 0 "[ . 1 . 2]" 1
421 1 41 CYS HB2 1 42 TRP H 4.550 . 5.010 4.444 4.239 4.527 . 0 0 "[ . 1 . 2]" 1
422 1 42 TRP HB3 1 42 TRP HE1 5.070 . 5.580 5.081 4.799 5.296 . 0 0 "[ . 1 . 2]" 1
423 1 42 TRP H 1 42 TRP HB3 3.920 . 4.310 3.751 3.670 3.929 . 0 0 "[ . 1 . 2]" 1
424 1 42 TRP H 1 42 TRP HD1 4.950 . 5.440 3.917 2.610 5.356 . 0 0 "[ . 1 . 2]" 1
425 1 42 TRP H 1 56 LEU MD2 5.000 . 5.500 3.941 2.750 5.510 0.010 18 0 "[ . 1 . 2]" 1
426 1 42 TRP H 1 57 LEU HB2 5.120 . 5.630 3.665 2.786 4.243 . 0 0 "[ . 1 . 2]" 1
427 1 42 TRP H 1 57 LEU HB3 5.510 . 6.060 4.343 3.593 5.009 . 0 0 "[ . 1 . 2]" 1
428 1 42 TRP H 1 58 ARG HA 5.540 . 6.090 4.200 3.550 4.994 . 0 0 "[ . 1 . 2]" 1
429 1 42 TRP HE1 1 80 LEU MD1 4.800 . 5.280 4.333 2.056 5.381 0.101 9 0 "[ . 1 . 2]" 1
430 1 42 TRP HE1 1 80 LEU MD2 4.600 . 5.060 3.943 3.408 5.091 0.031 17 0 "[ . 1 . 2]" 1
431 1 3 ILE HB 1 42 TRP HE1 4.500 . 4.950 2.928 2.401 4.400 . 0 0 "[ . 1 . 2]" 1
432 1 42 TRP HA 1 80 LEU MD1 5.000 . 5.500 4.602 3.427 5.120 . 0 0 "[ . 1 . 2]" 1
433 1 42 TRP HA 1 43 MET H 2.200 . 2.420 2.213 2.138 2.292 . 0 0 "[ . 1 . 2]" 1
434 1 42 TRP HB2 1 43 MET H 4.440 . 4.880 3.989 3.758 4.397 . 0 0 "[ . 1 . 2]" 1
435 1 42 TRP HB3 1 43 MET H 3.830 . 4.210 3.173 2.921 3.551 . 0 0 "[ . 1 . 2]" 1
436 1 43 MET H 1 44 LEU MD2 4.500 . 4.950 3.902 3.490 4.281 . 0 0 "[ . 1 . 2]" 1
437 1 43 MET H 1 81 ILE MD 4.900 . 5.390 3.660 2.023 4.817 . 0 0 "[ . 1 . 2]" 1
438 1 43 MET H 1 80 LEU MD1 6.600 . 7.260 5.891 4.944 6.282 . 0 0 "[ . 1 . 2]" 1
439 1 43 MET HG3 1 55 TYR H 5.500 . 6.050 4.412 3.056 6.093 0.043 12 0 "[ . 1 . 2]" 1
440 1 43 MET H 1 79 CYS H 3.300 . 3.630 3.506 3.109 3.665 0.035 5 0 "[ . 1 . 2]" 1
441 1 43 MET H 1 80 LEU HA 3.780 . 4.160 4.075 3.749 4.277 0.117 18 0 "[ . 1 . 2]" 1
442 1 43 MET H 1 81 ILE H 5.070 . 5.580 3.691 3.252 4.260 . 0 0 "[ . 1 . 2]" 1
443 1 43 MET HG3 1 144 LEU HB3 5.100 . 5.610 4.321 3.295 5.496 . 0 0 "[ . 1 . 2]" 1
444 1 43 MET HG3 1 144 LEU HB2 4.100 . 4.510 2.907 1.776 3.788 0.024 2 0 "[ . 1 . 2]" 1
445 1 43 MET HG2 1 144 LEU HB2 4.140 . 4.550 2.627 1.677 3.987 0.123 9 0 "[ . 1 . 2]" 1
446 1 43 MET HB3 1 144 LEU HB3 5.200 . 5.720 4.573 4.076 5.045 . 0 0 "[ . 1 . 2]" 1
447 1 43 MET HA 1 44 LEU H 2.500 . 2.750 2.165 2.103 2.254 . 0 0 "[ . 1 . 2]" 1
448 1 43 MET HB3 1 44 LEU H 4.300 . 4.730 4.139 3.529 4.529 . 0 0 "[ . 1 . 2]" 1
449 1 43 MET HB2 1 44 LEU H 4.500 . 4.950 4.510 4.359 4.689 . 0 0 "[ . 1 . 2]" 1
450 1 43 MET HG3 1 44 LEU H 5.430 . 5.970 4.565 3.410 5.774 . 0 0 "[ . 1 . 2]" 1
451 1 44 LEU H 1 44 LEU HB3 3.710 . 4.080 3.617 3.573 3.695 . 0 0 "[ . 1 . 2]" 1
452 1 44 LEU H 1 44 LEU MD1 5.200 . 5.720 3.694 3.238 4.013 . 0 0 "[ . 1 . 2]" 1
453 1 44 LEU MD1 1 45 TYR H . . 5.210 3.719 2.977 5.184 . 0 0 "[ . 1 . 2]" 1
454 1 44 LEU MD1 1 55 TYR QD 5.000 . 5.500 5.063 4.141 5.562 0.062 7 0 "[ . 1 . 2]" 1
455 1 44 LEU MD2 1 45 TYR H 5.900 . 6.490 4.439 3.583 4.933 . 0 0 "[ . 1 . 2]" 1
456 1 44 LEU HA 1 45 TYR H 2.500 . 2.750 2.225 2.068 2.430 . 0 0 "[ . 1 . 2]" 1
457 1 44 LEU H 1 55 TYR H 3.300 . 3.630 3.178 2.759 3.591 . 0 0 "[ . 1 . 2]" 1
458 1 44 LEU H 1 56 LEU HA 3.770 . 4.150 3.687 2.993 4.012 . 0 0 "[ . 1 . 2]" 1
459 1 44 LEU H 1 57 LEU H 5.000 . 5.500 3.636 3.178 3.914 . 0 0 "[ . 1 . 2]" 1
460 1 44 LEU H 1 57 LEU MD2 4.500 . 4.950 3.612 2.749 5.128 0.178 18 0 "[ . 1 . 2]" 1
461 1 44 LEU H 1 75 ILE MD 5.000 . 5.500 5.077 4.718 5.405 . 0 0 "[ . 1 . 2]" 1
462 1 44 LEU MD1 1 77 SER H 6.320 . 6.950 4.911 3.940 6.074 . 0 0 "[ . 1 . 2]" 1
463 1 44 LEU HB3 1 45 TYR H 4.060 . 4.470 2.936 2.403 3.505 . 0 0 "[ . 1 . 2]" 1
464 1 45 TYR H 1 45 TYR QD 5.000 . 5.500 2.710 2.217 3.189 . 0 0 "[ . 1 . 2]" 1
465 1 45 TYR H 1 75 ILE HA 4.500 . 4.950 4.430 3.773 4.959 0.009 20 0 "[ . 1 . 2]" 1
466 1 45 TYR H 1 75 ILE MD 5.000 . 5.500 4.424 3.070 5.531 0.031 18 0 "[ . 1 . 2]" 1
467 1 45 TYR HA 1 46 GLU H 2.500 . 2.750 2.156 2.097 2.233 . 0 0 "[ . 1 . 2]" 1
468 1 46 GLU H 1 47 ARG H 4.470 . 4.920 2.662 2.449 2.841 . 0 0 "[ . 1 . 2]" 1
469 1 46 GLU H 1 53 GLN H 3.920 . 4.310 3.592 3.227 3.854 . 0 0 "[ . 1 . 2]" 1
470 1 46 GLU H 1 54 GLN HA 3.990 . 4.390 3.601 3.232 4.000 . 0 0 "[ . 1 . 2]" 1
471 1 45 TYR QD 1 46 GLU H 5.000 . 5.500 4.135 3.734 4.475 . 0 0 "[ . 1 . 2]" 1
472 1 45 TYR HB2 1 46 GLU H 4.000 . 4.400 4.041 3.903 4.245 . 0 0 "[ . 1 . 2]" 1
473 1 45 TYR HB3 1 46 GLU H 4.000 . 4.400 3.032 2.793 3.340 . 0 0 "[ . 1 . 2]" 1
474 1 46 GLU H 1 53 GLN HB3 5.200 . 5.720 5.150 4.791 5.782 0.062 2 0 "[ . 1 . 2]" 1
475 1 46 GLU H 1 53 GLN HG2 6.250 . 6.870 6.327 4.636 6.611 . 0 0 "[ . 1 . 2]" 1
476 1 45 TYR HB3 1 47 ARG H 4.500 . 4.950 2.996 2.468 3.465 . 0 0 "[ . 1 . 2]" 1
477 1 47 ARG H 1 51 GLN HB3 5.000 . 5.500 5.191 4.630 5.541 0.041 16 0 "[ . 1 . 2]" 1
478 1 47 ARG H 1 48 PRO HD3 5.300 . 5.830 5.092 4.724 5.243 . 0 0 "[ . 1 . 2]" 1
479 1 47 ARG HB2 1 51 GLN HB3 5.000 . 5.500 3.155 2.547 3.581 . 0 0 "[ . 1 . 2]" 1
480 1 48 PRO HA 1 48 PRO HD2 4.000 . 4.400 4.077 3.919 4.135 . 0 0 "[ . 1 . 2]" 1
481 1 48 PRO HD2 1 76 ARG HD2 4.500 . 4.950 3.991 3.409 4.983 0.033 5 0 "[ . 1 . 2]" 1
482 1 48 PRO HD2 1 76 ARG HB3 3.900 . 4.290 4.235 4.103 4.339 0.049 19 0 "[ . 1 . 2]" 1
483 1 48 PRO HG2 1 49 ASN H 4.800 . 5.280 4.427 3.849 5.102 . 0 0 "[ . 1 . 2]" 1
484 1 48 PRO HG3 1 49 ASN H 5.400 . 5.940 4.927 4.671 5.124 . 0 0 "[ . 1 . 2]" 1
485 1 48 PRO HB3 1 49 ASN H 4.660 . 5.130 3.298 2.761 3.554 . 0 0 "[ . 1 . 2]" 1
486 1 48 PRO HA 1 49 ASN H 3.940 . 4.330 2.473 2.388 2.641 . 0 0 "[ . 1 . 2]" 1
487 1 48 PRO HB2 1 49 ASN H 3.600 . 3.960 2.580 2.135 3.053 . 0 0 "[ . 1 . 2]" 1
488 1 48 PRO HB3 1 49 ASN HB2 6.000 . 6.600 5.584 5.217 5.847 . 0 0 "[ . 1 . 2]" 1
489 1 49 ASN HA 1 49 ASN HB2 3.000 . 3.300 3.049 3.042 3.055 . 0 0 "[ . 1 . 2]" 1
490 1 49 ASN H 1 50 TYR H 4.750 . 5.220 2.677 2.582 2.764 . 0 0 "[ . 1 . 2]" 1
491 1 48 PRO HA 1 50 TYR H 4.450 . 4.890 3.293 3.145 3.433 . 0 0 "[ . 1 . 2]" 1
492 1 49 ASN HB3 1 50 TYR H 4.800 . 5.280 4.495 4.457 4.538 . 0 0 "[ . 1 . 2]" 1
493 1 49 ASN HA 1 50 TYR H 4.400 . 4.840 2.901 2.811 2.991 . 0 0 "[ . 1 . 2]" 1
494 1 50 TYR H 1 51 GLN HB3 6.000 . 6.600 6.244 6.172 6.324 . 0 0 "[ . 1 . 2]" 1
495 1 50 TYR H 1 77 SER HB2 5.000 . 5.500 2.856 2.627 3.330 . 0 0 "[ . 1 . 2]" 1
496 1 50 TYR H 1 51 GLN H 4.340 . 4.770 2.798 2.644 3.000 . 0 0 "[ . 1 . 2]" 1
497 1 50 TYR HA 1 51 GLN H 4.500 . 4.950 2.685 2.502 2.983 . 0 0 "[ . 1 . 2]" 1
498 1 51 GLN H 1 51 GLN HB3 3.820 . 3.960 3.778 3.669 3.859 . 0 0 "[ . 1 . 2]" 1
499 1 51 GLN H 1 52 GLY H 5.000 . 5.500 4.488 4.427 4.581 . 0 0 "[ . 1 . 2]" 1
500 1 47 ARG H 1 51 GLN H 5.000 . 5.500 4.068 3.752 4.531 . 0 0 "[ . 1 . 2]" 1
501 1 45 TYR HB2 1 51 GLN H 4.200 . 4.620 4.043 3.648 4.375 . 0 0 "[ . 1 . 2]" 1
502 1 45 TYR HB3 1 51 GLN H 4.200 . 4.620 3.188 2.800 3.671 . 0 0 "[ . 1 . 2]" 1
503 1 50 TYR HB2 1 51 GLN H 6.000 . 6.600 4.401 4.145 4.512 . 0 0 "[ . 1 . 2]" 1
504 1 50 TYR HB3 1 51 GLN H 6.000 . 6.600 4.490 4.415 4.577 . 0 0 "[ . 1 . 2]" 1
505 1 51 GLN H 1 51 GLN HG2 4.710 . 5.180 4.040 2.686 4.792 . 0 0 "[ . 1 . 2]" 1
506 1 51 GLN H 1 51 GLN HG3 4.720 . 5.190 3.092 2.625 4.475 . 0 0 "[ . 1 . 2]" 1
507 1 51 GLN H 1 51 GLN HB2 3.300 . 3.630 2.637 2.500 2.758 . 0 0 "[ . 1 . 2]" 1
508 1 45 TYR QD 1 51 GLN H 5.000 . 5.500 3.745 3.244 4.524 . 0 0 "[ . 1 . 2]" 1
509 1 51 GLN H 1 77 SER HB2 4.610 . 5.070 4.159 3.676 4.550 . 0 0 "[ . 1 . 2]" 1
510 1 48 PRO HA 1 51 GLN H 4.500 . 4.950 4.182 3.953 4.403 . 0 0 "[ . 1 . 2]" 1
511 1 49 ASN HB2 1 51 GLN HE21 5.830 . 6.410 2.764 1.769 4.805 0.031 8 0 "[ . 1 . 2]" 1
512 1 49 ASN HB3 1 51 GLN HE21 5.800 . 6.380 4.182 3.392 5.753 . 0 0 "[ . 1 . 2]" 1
513 1 49 ASN HB2 1 51 GLN HE22 5.100 . 5.610 3.381 2.135 5.487 . 0 0 "[ . 1 . 2]" 1
514 1 49 ASN HB3 1 51 GLN HE22 5.100 . 5.610 4.545 2.625 5.287 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLN HB3 1 51 GLN HE22 4.660 . 5.130 4.222 3.531 4.854 . 0 0 "[ . 1 . 2]" 1
516 1 47 ARG HB2 1 52 GLY H 4.500 . 4.950 3.589 3.199 4.019 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLN HB3 1 52 GLY H 3.910 . 4.300 2.241 2.041 2.461 . 0 0 "[ . 1 . 2]" 1
518 1 51 GLN HG3 1 52 GLY H 4.630 . 5.090 4.700 3.260 4.905 . 0 0 "[ . 1 . 2]" 1
519 1 51 GLN HA 1 52 GLY H 4.520 . 4.970 2.483 2.377 2.609 . 0 0 "[ . 1 . 2]" 1
520 1 47 ARG H 1 52 GLY H 4.900 . 5.390 4.748 4.412 5.191 . 0 0 "[ . 1 . 2]" 1
521 1 52 GLY HA2 1 53 GLN H 3.710 . 4.080 2.830 2.746 2.898 . 0 0 "[ . 1 . 2]" 1
522 1 52 GLY HA3 1 53 GLN H 3.700 . 4.070 2.322 2.251 2.389 . 0 0 "[ . 1 . 2]" 1
523 1 52 GLY HA3 1 53 GLN HG3 5.000 . 5.500 4.482 4.114 4.916 . 0 0 "[ . 1 . 2]" 1
524 1 53 GLN H 1 53 GLN HG3 3.420 . 3.760 2.401 2.182 2.887 . 0 0 "[ . 1 . 2]" 1
525 1 53 GLN HA 1 53 GLN HE21 4.850 . 5.330 4.760 4.223 5.262 . 0 0 "[ . 1 . 2]" 1
526 1 53 GLN HE22 1 53 GLN HG3 4.000 . 4.400 3.803 3.506 4.078 . 0 0 "[ . 1 . 2]" 1
527 1 53 GLN HA 1 53 GLN HE22 5.780 . 6.360 5.893 5.639 6.114 . 0 0 "[ . 1 . 2]" 1
528 1 53 GLN HE21 1 141 ARG HD2 4.000 . 4.400 3.477 2.094 4.336 . 0 0 "[ . 1 . 2]" 1
529 1 53 GLN HE22 1 141 ARG HD2 5.000 . 5.500 4.613 3.504 5.496 . 0 0 "[ . 1 . 2]" 1
530 1 53 GLN HE21 1 71 LEU MD1 5.270 . 5.800 5.063 2.692 5.908 0.108 14 0 "[ . 1 . 2]" 1
531 1 53 GLN HE22 1 71 LEU MD1 4.500 . 4.950 4.500 2.147 4.993 0.043 1 0 "[ . 1 . 2]" 1
532 1 53 GLN HA 1 54 GLN H 3.200 . 3.520 2.201 2.133 2.328 . 0 0 "[ . 1 . 2]" 1
533 1 53 GLN HE21 1 141 ARG HB3 5.500 . 6.050 5.025 3.366 6.125 0.075 14 0 "[ . 1 . 2]" 1
534 1 54 GLN H 1 142 GLN HB3 5.800 . 6.380 5.832 5.495 6.370 . 0 0 "[ . 1 . 2]" 1
535 1 53 GLN HG3 1 54 GLN H 4.700 . 5.170 5.108 4.420 5.247 0.077 7 0 "[ . 1 . 2]" 1
536 1 53 GLN H 1 54 GLN H 4.800 . 5.280 4.547 4.346 4.656 . 0 0 "[ . 1 . 2]" 1
537 1 54 GLN H 1 141 ARG HB3 5.000 . 5.500 3.532 3.258 3.864 . 0 0 "[ . 1 . 2]" 1
538 1 54 GLN H 1 141 ARG HB2 5.000 . 5.500 5.224 4.998 5.535 0.035 11 0 "[ . 1 . 2]" 1
539 1 54 GLN HE22 1 54 GLN HG3 3.700 . 4.070 3.555 3.476 3.781 . 0 0 "[ . 1 . 2]" 1
540 1 54 GLN HE22 1 54 GLN HG2 3.500 . 3.850 3.721 3.504 3.791 . 0 0 "[ . 1 . 2]" 1
541 1 54 GLN HE21 1 54 GLN HG2 2.600 . 2.860 2.788 2.275 2.933 0.073 15 0 "[ . 1 . 2]" 1
542 1 54 GLN HE21 1 54 GLN HG3 3.000 . 3.300 2.383 2.221 2.915 . 0 0 "[ . 1 . 2]" 1
543 1 54 GLN HE21 1 156 TRP HB2 5.600 . 6.160 5.326 4.387 6.081 . 0 0 "[ . 1 . 2]" 1
544 1 54 GLN HE21 1 143 TYR HA 4.600 . 5.060 3.902 3.330 5.033 . 0 0 "[ . 1 . 2]" 1
545 1 54 GLN HG2 1 55 TYR H 5.300 . 5.830 4.658 4.408 4.979 . 0 0 "[ . 1 . 2]" 1
546 1 54 GLN HG2 1 142 GLN H 6.500 . 7.150 6.390 6.006 6.843 . 0 0 "[ . 1 . 2]" 1
547 1 43 MET HA 1 55 TYR H 4.550 . 5.010 3.791 3.382 4.629 . 0 0 "[ . 1 . 2]" 1
548 1 54 GLN HA 1 55 TYR H 2.500 . 2.750 2.352 2.176 2.439 . 0 0 "[ . 1 . 2]" 1
549 1 55 TYR H 1 142 GLN HG2 6.370 . 7.010 5.977 4.807 6.949 . 0 0 "[ . 1 . 2]" 1
550 1 55 TYR HA 1 56 LEU H 2.200 . 2.420 2.247 2.195 2.298 . 0 0 "[ . 1 . 2]" 1
551 1 55 TYR HB3 1 56 LEU H 4.900 . 5.390 3.551 2.908 3.926 . 0 0 "[ . 1 . 2]" 1
552 1 55 TYR HB2 1 56 LEU H 5.220 . 5.740 4.309 3.874 4.522 . 0 0 "[ . 1 . 2]" 1
553 1 56 LEU H 1 142 GLN HB3 4.700 . 5.170 3.712 2.941 4.530 . 0 0 "[ . 1 . 2]" 1
554 1 56 LEU H 1 57 LEU MD2 6.000 . 6.600 4.597 3.718 6.665 0.065 15 0 "[ . 1 . 2]" 1
555 1 42 TRP H 1 57 LEU H 3.300 . 3.630 3.488 2.999 3.742 0.112 2 0 "[ . 1 . 2]" 1
556 1 56 LEU HG 1 57 LEU H 5.310 . 5.840 4.275 3.233 5.457 . 0 0 "[ . 1 . 2]" 1
557 1 56 LEU HA 1 57 LEU H 2.200 . 2.420 2.179 2.098 2.234 . 0 0 "[ . 1 . 2]" 1
558 1 56 LEU H 1 57 LEU H 5.000 . 5.500 4.216 4.110 4.424 . 0 0 "[ . 1 . 2]" 1
559 1 56 LEU MD2 1 57 LEU H 4.700 . 5.170 3.535 2.767 5.135 . 0 0 "[ . 1 . 2]" 1
560 1 57 LEU H 1 57 LEU HB3 4.120 . 4.530 3.563 3.494 3.657 . 0 0 "[ . 1 . 2]" 1
561 1 57 LEU HB2 1 57 LEU MD1 3.400 . 3.740 3.044 2.374 3.265 . 0 0 "[ . 1 . 2]" 1
562 1 57 LEU HB3 1 57 LEU MD1 3.300 . 3.630 2.594 2.315 3.265 . 0 0 "[ . 1 . 2]" 1
563 1 37 VAL MG2 1 57 LEU MD2 5.500 . 6.050 3.865 2.285 4.477 . 0 0 "[ . 1 . 2]" 1
564 1 44 LEU MD1 1 57 LEU MD1 5.000 . 5.500 4.571 2.097 5.629 0.129 2 0 "[ . 1 . 2]" 1
565 1 44 LEU HB2 1 57 LEU MD1 4.800 . 5.280 4.493 2.305 5.284 0.004 12 0 "[ . 1 . 2]" 1
566 1 42 TRP HB2 1 57 LEU MD1 5.700 . 6.270 5.418 3.868 6.086 . 0 0 "[ . 1 . 2]" 1
567 1 57 LEU MD1 1 68 TRP HB2 4.580 . 5.040 3.279 2.612 4.315 . 0 0 "[ . 1 . 2]" 1
568 1 57 LEU MD1 1 68 TRP HA 6.000 . 6.600 5.164 4.472 6.391 . 0 0 "[ . 1 . 2]" 1
569 1 55 TYR HA 1 57 LEU MD1 6.000 . 6.600 5.597 3.715 6.518 . 0 0 "[ . 1 . 2]" 1
570 1 55 TYR HB3 1 57 LEU MD1 4.410 . 4.850 3.872 2.105 4.707 . 0 0 "[ . 1 . 2]" 1
571 1 57 LEU MD1 1 62 TYR QD 5.500 . 6.050 3.420 2.192 5.721 . 0 0 "[ . 1 . 2]" 1
572 1 57 LEU MD2 1 58 ARG H 5.000 . 5.500 4.429 4.200 4.818 . 0 0 "[ . 1 . 2]" 1
573 1 57 LEU HA 1 58 ARG H 3.680 . 4.050 2.135 2.030 2.332 . 0 0 "[ . 1 . 2]" 1
574 1 57 LEU HB3 1 58 ARG H 3.990 . 4.390 3.336 2.685 3.681 . 0 0 "[ . 1 . 2]" 1
575 1 57 LEU HB2 1 58 ARG H 4.300 . 4.730 4.323 3.916 4.500 . 0 0 "[ . 1 . 2]" 1
576 1 58 ARG H 1 68 TRP HB2 5.500 . 6.050 4.945 3.827 6.074 0.024 20 0 "[ . 1 . 2]" 1
577 1 58 ARG HD3 1 167 ARG HD2 6.000 . 6.600 5.756 4.221 6.664 0.064 18 0 "[ . 1 . 2]" 1
578 1 58 ARG HG3 1 59 ARG H 4.610 . 5.070 4.771 4.336 5.007 . 0 0 "[ . 1 . 2]" 1
579 1 58 ARG HA 1 59 ARG H 4.190 . 4.610 2.525 2.386 2.724 . 0 0 "[ . 1 . 2]" 1
580 1 58 ARG HB3 1 59 ARG H 3.720 . 4.090 2.401 2.031 2.701 . 0 0 "[ . 1 . 2]" 1
581 1 58 ARG HD2 1 59 ARG H 5.500 . 6.050 5.187 4.174 5.774 . 0 0 "[ . 1 . 2]" 1
582 1 58 ARG HB2 1 59 ARG H 4.130 . 4.540 3.380 3.100 3.684 . 0 0 "[ . 1 . 2]" 1
583 1 59 ARG H 1 59 ARG HB3 3.510 . 3.860 2.617 2.395 2.799 . 0 0 "[ . 1 . 2]" 1
584 1 59 ARG HA 1 59 ARG HB2 2.500 . 2.750 2.512 2.418 2.622 . 0 0 "[ . 1 . 2]" 1
585 1 37 VAL MG1 1 59 ARG H 4.500 . 4.950 3.640 3.298 3.953 . 0 0 "[ . 1 . 2]" 1
586 1 37 VAL HB 1 60 GLY H 4.660 . 5.130 2.200 1.767 2.786 0.033 4 0 "[ . 1 . 2]" 1
587 1 37 VAL MG1 1 60 GLY H 4.800 . 5.280 3.293 2.630 3.801 . 0 0 "[ . 1 . 2]" 1
588 1 59 ARG HA 1 60 GLY H 2.800 . 3.080 2.165 2.119 2.245 . 0 0 "[ . 1 . 2]" 1
589 1 59 ARG HB3 1 60 GLY H 4.250 . 4.680 4.303 4.116 4.520 . 0 0 "[ . 1 . 2]" 1
590 1 59 ARG HG2 1 60 GLY H 5.000 . 5.500 3.302 2.831 4.344 . 0 0 "[ . 1 . 2]" 1
591 1 60 GLY H 1 61 GLU H 4.800 . 5.280 4.136 3.925 4.310 . 0 0 "[ . 1 . 2]" 1
592 1 60 GLY HA2 1 61 GLU H 2.600 . 2.860 2.211 2.115 2.370 . 0 0 "[ . 1 . 2]" 1
593 1 60 GLY HA3 1 61 GLU H 2.700 . 2.970 2.923 2.633 3.088 0.118 9 0 "[ . 1 . 2]" 1
594 1 61 GLU H 1 61 GLU HB3 4.090 . 4.500 3.646 3.575 3.756 . 0 0 "[ . 1 . 2]" 1
595 1 61 GLU H 1 61 GLU HB2 3.410 . 3.750 2.485 2.324 2.735 . 0 0 "[ . 1 . 2]" 1
596 1 61 GLU H 1 62 TYR QE 5.100 . 5.610 5.323 4.899 5.707 0.097 18 0 "[ . 1 . 2]" 1
597 1 61 GLU H 1 62 TYR H 4.900 . 5.390 4.176 4.010 4.559 . 0 0 "[ . 1 . 2]" 1
598 1 35 ILE H 1 62 TYR H 3.400 . 3.740 3.642 3.122 3.826 0.086 18 0 "[ . 1 . 2]" 1
599 1 35 ILE H 1 62 TYR HB3 4.700 . 5.170 4.016 3.688 4.472 . 0 0 "[ . 1 . 2]" 1
600 1 35 ILE H 1 62 TYR HB2 4.100 . 4.510 2.721 2.304 3.141 . 0 0 "[ . 1 . 2]" 1
601 1 36 ARG HA 1 62 TYR H 3.200 . 3.520 3.073 2.728 3.451 . 0 0 "[ . 1 . 2]" 1
602 1 61 GLU HB2 1 62 TYR H 4.390 . 4.830 4.450 3.925 4.555 . 0 0 "[ . 1 . 2]" 1
603 1 61 GLU HA 1 62 TYR H 2.200 . 2.420 2.219 2.163 2.282 . 0 0 "[ . 1 . 2]" 1
604 1 34 SER HB2 1 62 TYR HB2 5.940 . 6.530 4.854 4.491 5.160 . 0 0 "[ . 1 . 2]" 1
605 1 62 TYR HB2 1 64 ASP H 4.000 . 4.400 4.113 3.757 4.436 0.036 20 0 "[ . 1 . 2]" 1
606 1 62 TYR HA 1 64 ASP H 5.000 . 5.500 3.574 3.370 3.737 . 0 0 "[ . 1 . 2]" 1
607 1 64 ASP H 1 67 GLN HB2 4.500 . 4.950 3.010 2.422 3.794 . 0 0 "[ . 1 . 2]" 1
608 1 65 TYR QE 1 70 GLY H 6.150 . 6.770 5.961 4.163 6.790 0.020 7 0 "[ . 1 . 2]" 1
609 1 65 TYR QE 1 73 ASP H 5.500 . 6.050 4.779 3.470 5.989 . 0 0 "[ . 1 . 2]" 1
610 1 66 GLN H 1 66 GLN HB3 3.760 . 4.140 3.623 3.588 3.658 . 0 0 "[ . 1 . 2]" 1
611 1 66 GLN H 1 66 GLN HE22 5.500 . 6.050 5.283 4.623 5.927 . 0 0 "[ . 1 . 2]" 1
612 1 66 GLN HB3 1 66 GLN HE21 4.000 . 4.400 3.235 2.004 3.914 . 0 0 "[ . 1 . 2]" 1
613 1 66 GLN HB2 1 66 GLN HE21 4.000 . 4.400 3.241 1.766 4.122 0.034 10 0 "[ . 1 . 2]" 1
614 1 66 GLN HE21 1 67 GLN H 6.000 . 6.600 5.394 4.240 6.662 0.062 2 0 "[ . 1 . 2]" 1
615 1 67 GLN H 1 67 GLN HB2 4.000 . 4.400 2.396 2.167 2.569 . 0 0 "[ . 1 . 2]" 1
616 1 67 GLN H 1 67 GLN HG3 4.630 . 5.090 4.535 4.495 4.573 . 0 0 "[ . 1 . 2]" 1
617 1 67 GLN HE22 1 67 GLN HG2 3.900 . 4.290 3.778 3.496 4.081 . 0 0 "[ . 1 . 2]" 1
618 1 64 ASP H 1 67 GLN HG3 5.600 . 6.160 5.034 3.498 5.518 . 0 0 "[ . 1 . 2]" 1
619 1 66 GLN HB2 1 67 GLN HE21 6.000 . 6.600 5.698 4.425 6.744 0.144 4 0 "[ . 1 . 2]" 1
620 1 62 TYR HB3 1 68 TRP H 5.200 . 5.720 3.972 3.527 4.399 . 0 0 "[ . 1 . 2]" 1
621 1 66 GLN H 1 68 TRP H 4.870 . 5.360 4.532 4.279 4.769 . 0 0 "[ . 1 . 2]" 1
622 1 67 GLN HG3 1 68 TRP H 5.230 . 5.750 4.249 3.691 5.015 . 0 0 "[ . 1 . 2]" 1
623 1 67 GLN H 1 68 TRP H 3.200 . 3.520 2.732 2.601 2.902 . 0 0 "[ . 1 . 2]" 1
624 1 67 GLN HA 1 68 TRP H 4.850 . 5.330 3.567 3.455 3.630 . 0 0 "[ . 1 . 2]" 1
625 1 67 GLN HB2 1 68 TRP H 4.000 . 4.400 3.900 3.507 4.304 . 0 0 "[ . 1 . 2]" 1
626 1 68 TRP H 1 70 GLY H 4.400 . 4.840 3.482 3.175 4.007 . 0 0 "[ . 1 . 2]" 1
627 1 68 TRP H 1 68 TRP HE1 6.000 . 6.600 4.764 4.181 5.660 . 0 0 "[ . 1 . 2]" 1
628 1 68 TRP HE1 1 75 ILE QG 6.000 . 6.600 5.658 4.458 6.520 . 0 0 "[ . 1 . 2]" 1
629 1 68 TRP HE1 1 75 ILE MD 5.000 . 5.500 4.577 3.580 5.540 0.040 20 0 "[ . 1 . 2]" 1
630 1 68 TRP H 1 69 MET H 4.500 . 4.950 2.482 2.296 2.629 . 0 0 "[ . 1 . 2]" 1
631 1 68 TRP H 1 69 MET HA 5.000 . 5.500 4.542 4.323 4.698 . 0 0 "[ . 1 . 2]" 1
632 1 68 TRP HA 1 69 MET H 4.580 . 5.040 3.084 2.984 3.168 . 0 0 "[ . 1 . 2]" 1
633 1 68 TRP HE1 1 70 GLY HA2 5.500 . 6.050 4.687 2.666 6.208 0.158 11 0 "[ . 1 . 2]" 1
634 1 68 TRP HE1 1 70 GLY HA3 5.500 . 6.050 3.948 2.640 5.021 . 0 0 "[ . 1 . 2]" 1
635 1 67 GLN H 1 69 MET H 5.000 . 5.500 3.841 3.529 4.045 . 0 0 "[ . 1 . 2]" 1
636 1 69 MET H 1 70 GLY H 5.000 . 5.500 2.724 2.578 2.933 . 0 0 "[ . 1 . 2]" 1
637 1 69 MET HA 1 70 GLY H 2.900 . 3.190 2.747 2.467 2.950 . 0 0 "[ . 1 . 2]" 1
638 1 69 MET HG3 1 70 GLY H 5.000 . 5.500 5.113 4.911 5.243 . 0 0 "[ . 1 . 2]" 1
639 1 70 GLY H 1 71 LEU H 4.660 . 5.130 4.510 4.445 4.618 . 0 0 "[ . 1 . 2]" 1
640 1 66 GLN HA 1 70 GLY H 4.700 . 5.170 2.963 2.540 3.535 . 0 0 "[ . 1 . 2]" 1
641 1 70 GLY HA3 1 71 LEU H 4.960 . 5.460 3.205 2.547 3.315 . 0 0 "[ . 1 . 2]" 1
642 1 70 GLY HA3 1 72 SER H 5.360 . 5.900 4.056 3.536 4.603 . 0 0 "[ . 1 . 2]" 1
643 1 71 LEU HA 1 72 SER H 4.910 . 5.400 3.525 3.423 3.621 . 0 0 "[ . 1 . 2]" 1
644 1 71 LEU MD2 1 72 SER H 5.400 . 5.940 4.819 4.548 5.214 . 0 0 "[ . 1 . 2]" 1
645 1 71 LEU HB3 1 72 SER H 4.800 . 5.280 3.632 3.255 4.040 . 0 0 "[ . 1 . 2]" 1
646 1 72 SER HA 1 73 ASP H 3.440 . 3.780 2.247 2.171 2.382 . 0 0 "[ . 1 . 2]" 1
647 1 72 SER HA 1 74 SER H 4.050 . 4.460 3.820 3.611 4.079 . 0 0 "[ . 1 . 2]" 1
648 1 73 ASP HA 1 74 SER H 5.020 . 5.520 3.417 3.286 3.506 . 0 0 "[ . 1 . 2]" 1
649 1 73 ASP H 1 74 SER H 4.800 . 5.280 2.400 2.015 2.853 . 0 0 "[ . 1 . 2]" 1
650 1 74 SER H 1 75 ILE H 5.350 . 5.890 4.436 4.237 4.544 . 0 0 "[ . 1 . 2]" 1
651 1 32 CYS HB2 1 75 ILE H 5.220 . 5.740 4.795 4.156 5.209 . 0 0 "[ . 1 . 2]" 1
652 1 32 CYS HB3 1 75 ILE H 5.150 . 5.670 4.600 4.100 5.252 . 0 0 "[ . 1 . 2]" 1
653 1 75 ILE MD 1 77 SER H 5.260 . 5.790 5.206 4.397 5.795 0.005 5 0 "[ . 1 . 2]" 1
654 1 25 LEU HB3 1 76 ARG H 5.500 . 6.050 5.880 5.736 6.057 0.007 14 0 "[ . 1 . 2]" 1
655 1 25 LEU MD1 1 76 ARG H 5.880 . 6.470 3.819 3.607 4.059 . 0 0 "[ . 1 . 2]" 1
656 1 45 TYR H 1 76 ARG H 5.000 . 5.500 4.360 4.003 4.937 . 0 0 "[ . 1 . 2]" 1
657 1 45 TYR HB3 1 76 ARG H 5.720 . 6.290 5.009 4.760 5.213 . 0 0 "[ . 1 . 2]" 1
658 1 45 TYR HB2 1 76 ARG H 5.800 . 6.380 4.341 4.055 4.711 . 0 0 "[ . 1 . 2]" 1
659 1 46 GLU HA 1 76 ARG H 3.200 . 3.520 3.472 3.057 3.603 0.083 16 0 "[ . 1 . 2]" 1
660 1 75 ILE HA 1 76 ARG H 2.200 . 2.420 2.171 2.146 2.214 . 0 0 "[ . 1 . 2]" 1
661 1 75 ILE MD 1 76 ARG H 5.040 . 5.540 4.809 3.816 5.513 . 0 0 "[ . 1 . 2]" 1
662 1 75 ILE H 1 76 ARG H 5.320 . 5.850 4.080 3.789 4.283 . 0 0 "[ . 1 . 2]" 1
663 1 76 ARG HB3 1 77 SER H 4.350 . 4.790 4.366 4.257 4.444 . 0 0 "[ . 1 . 2]" 1
664 1 76 ARG H 1 77 SER H 3.670 . 4.040 2.056 1.929 2.232 . 0 0 "[ . 1 . 2]" 1
665 1 76 ARG HB2 1 77 SER H 4.480 . 4.930 3.679 3.430 3.858 . 0 0 "[ . 1 . 2]" 1
666 1 25 LEU HB3 1 77 SER H 5.000 . 5.500 5.197 4.904 5.540 0.040 2 0 "[ . 1 . 2]" 1
667 1 25 LEU MD1 1 77 SER H 5.000 . 5.500 2.603 2.437 2.810 . 0 0 "[ . 1 . 2]" 1
668 1 45 TYR HB3 1 77 SER H 4.100 . 4.510 4.574 4.520 4.644 0.134 17 0 "[ . 1 . 2]" 1
669 1 45 TYR HB2 1 77 SER H 5.200 . 5.720 3.280 3.106 3.537 . 0 0 "[ . 1 . 2]" 1
670 1 75 ILE HA 1 77 SER H 4.720 . 5.190 3.547 3.370 3.711 . 0 0 "[ . 1 . 2]" 1
671 1 76 ARG HA 1 77 SER H 4.200 . 4.620 3.266 3.153 3.369 . 0 0 "[ . 1 . 2]" 1
672 1 76 ARG HG3 1 77 SER H 4.710 . 5.180 4.710 4.512 5.092 . 0 0 "[ . 1 . 2]" 1
673 1 45 TYR H 1 78 CYS H 5.000 . 5.500 4.704 4.483 5.171 . 0 0 "[ . 1 . 2]" 1
674 1 77 SER HB3 1 78 CYS H 4.470 . 4.920 3.650 2.606 4.007 . 0 0 "[ . 1 . 2]" 1
675 1 77 SER HB2 1 78 CYS H 4.000 . 4.400 3.941 3.777 4.183 . 0 0 "[ . 1 . 2]" 1
676 1 77 SER HA 1 78 CYS H 2.200 . 2.420 2.418 2.262 2.491 0.071 4 0 "[ . 1 . 2]" 1
677 1 50 TYR QD 1 78 CYS H 5.000 . 5.500 3.895 3.262 4.569 . 0 0 "[ . 1 . 2]" 1
678 1 78 CYS HA 1 79 CYS H 2.200 . 2.420 2.230 2.177 2.343 . 0 0 "[ . 1 . 2]" 1
679 1 44 LEU HA 1 79 CYS H 3.770 . 4.150 3.478 2.946 3.974 . 0 0 "[ . 1 . 2]" 1
680 1 78 CYS HB2 1 79 CYS H 4.620 . 5.080 2.969 2.518 3.535 . 0 0 "[ . 1 . 2]" 1
681 1 78 CYS HB3 1 79 CYS H 4.420 . 4.860 4.048 3.831 4.354 . 0 0 "[ . 1 . 2]" 1
682 1 43 MET HB3 1 79 CYS H 4.500 . 4.950 4.071 3.142 4.899 . 0 0 "[ . 1 . 2]" 1
683 1 43 MET HB2 1 79 CYS H 5.000 . 5.500 4.522 3.512 5.525 0.025 14 0 "[ . 1 . 2]" 1
684 1 44 LEU H 1 79 CYS H 5.000 . 5.500 4.804 4.559 5.035 . 0 0 "[ . 1 . 2]" 1
685 1 44 LEU MD2 1 79 CYS H 5.000 . 5.500 3.915 2.759 5.024 . 0 0 "[ . 1 . 2]" 1
686 1 44 LEU MD1 1 79 CYS H 6.000 . 6.600 4.219 2.690 6.267 . 0 0 "[ . 1 . 2]" 1
687 1 42 TRP HA 1 79 CYS H 4.800 . 5.280 5.006 4.207 5.419 0.139 8 0 "[ . 1 . 2]" 1
688 1 50 TYR QD 1 79 CYS H 5.200 . 5.720 5.136 4.087 5.741 0.021 7 0 "[ . 1 . 2]" 1
689 1 21 ASP H 1 80 LEU H 5.260 . 5.790 3.885 3.469 4.243 . 0 0 "[ . 1 . 2]" 1
690 1 21 ASP HA 1 80 LEU H 4.700 . 5.170 2.902 2.337 3.322 . 0 0 "[ . 1 . 2]" 1
691 1 79 CYS HB3 1 80 LEU H 4.310 . 4.740 3.297 2.799 3.657 . 0 0 "[ . 1 . 2]" 1
692 1 79 CYS HB2 1 80 LEU H 4.160 . 4.580 4.263 3.939 4.502 . 0 0 "[ . 1 . 2]" 1
693 1 79 CYS HA 1 80 LEU H 2.300 . 2.530 2.161 2.108 2.235 . 0 0 "[ . 1 . 2]" 1
694 1 80 LEU HA 1 81 ILE H 2.200 . 2.420 2.259 2.133 2.334 . 0 0 "[ . 1 . 2]" 1
695 1 80 LEU H 1 81 ILE MD 4.700 . 5.170 3.814 3.184 4.363 . 0 0 "[ . 1 . 2]" 1
696 1 41 CYS HB3 1 81 ILE H 6.100 . 6.710 6.126 5.150 6.577 . 0 0 "[ . 1 . 2]" 1
697 1 42 TRP HA 1 81 ILE H 3.800 . 4.180 2.698 2.182 3.313 . 0 0 "[ . 1 . 2]" 1
698 1 80 LEU HB2 1 81 ILE H 5.000 . 5.500 4.576 4.187 4.745 . 0 0 "[ . 1 . 2]" 1
699 1 80 LEU HB3 1 81 ILE H 5.000 . 5.500 4.422 4.217 4.512 . 0 0 "[ . 1 . 2]" 1
700 1 80 LEU HG 1 81 ILE H 5.200 . 5.720 4.837 3.150 5.690 . 0 0 "[ . 1 . 2]" 1
701 1 80 LEU MD1 1 81 ILE H 4.500 . 4.950 3.171 2.092 4.814 . 0 0 "[ . 1 . 2]" 1
702 1 80 LEU MD2 1 81 ILE H 5.500 . 6.050 4.048 3.552 4.947 . 0 0 "[ . 1 . 2]" 1
703 1 81 ILE H 1 169 VAL MG1 5.300 . 5.830 4.572 4.172 5.192 . 0 0 "[ . 1 . 2]" 1
704 1 81 ILE H 1 169 VAL MG2 5.700 . 6.270 5.838 5.388 6.275 0.005 9 0 "[ . 1 . 2]" 1
705 1 82 PRO HA 1 83 GLN H 3.200 . 3.520 2.584 2.221 2.856 . 0 0 "[ . 1 . 2]" 1
706 1 82 PRO QG 1 83 GLN H 4.400 . 4.840 3.758 3.272 4.663 . 0 0 "[ . 1 . 2]" 1
707 1 82 PRO HB2 1 83 GLN H 4.400 . 4.840 2.284 1.856 3.508 . 0 0 "[ . 1 . 2]" 1
708 1 82 PRO HB3 1 83 GLN H 3.900 . 4.290 3.464 3.282 4.047 . 0 0 "[ . 1 . 2]" 1
709 1 83 GLN H 1 83 GLN HB3 4.000 . 4.400 2.981 2.441 3.634 . 0 0 "[ . 1 . 2]" 1
710 1 83 GLN H 1 84 THR MG 5.000 . 5.500 4.915 4.690 5.118 . 0 0 "[ . 1 . 2]" 1
711 1 83 GLN HB2 1 84 THR H 4.100 . 4.510 4.165 3.511 4.498 . 0 0 "[ . 1 . 2]" 1
712 1 83 GLN HE21 1 171 ASP HA 5.060 . 5.570 4.707 3.775 5.681 0.111 3 0 "[ . 1 . 2]" 1
713 1 83 GLN HE21 1 171 ASP HB3 4.650 . 5.120 3.221 1.749 4.581 0.051 14 0 "[ . 1 . 2]" 1
714 1 83 GLN HE22 1 170 VAL HA 4.000 . 4.400 3.389 1.980 4.427 0.027 9 0 "[ . 1 . 2]" 1
715 1 83 GLN H 1 169 VAL MG1 5.100 . 5.610 5.209 4.435 5.759 0.149 5 0 "[ . 1 . 2]" 1
716 1 83 GLN HA 1 84 THR H 3.050 . 3.360 2.190 2.111 2.424 . 0 0 "[ . 1 . 2]" 1
717 1 83 GLN HG3 1 84 THR H 5.000 . 5.500 3.765 2.475 5.339 . 0 0 "[ . 1 . 2]" 1
718 1 84 THR H 1 84 THR MG 4.530 . 4.980 3.202 2.909 3.394 . 0 0 "[ . 1 . 2]" 1
719 1 84 THR H 1 169 VAL MG1 5.500 . 6.050 4.682 3.649 5.873 . 0 0 "[ . 1 . 2]" 1
720 1 83 GLN HE22 1 84 THR H 5.900 . 6.490 4.988 3.090 6.362 . 0 0 "[ . 1 . 2]" 1
721 1 84 THR HA 1 85 VAL H 3.650 . 4.020 2.199 2.119 2.599 . 0 0 "[ . 1 . 2]" 1
722 1 84 THR MG 1 85 VAL H 4.280 . 4.710 3.858 3.480 4.030 . 0 0 "[ . 1 . 2]" 1
723 1 85 VAL H 1 85 VAL MG2 4.440 . 4.880 3.047 2.009 3.869 . 0 0 "[ . 1 . 2]" 1
724 1 85 VAL H 1 85 VAL HB 3.990 . 4.390 3.079 2.509 3.691 . 0 0 "[ . 1 . 2]" 1
725 1 85 VAL H 1 86 SER H 3.820 . 4.200 2.598 2.197 2.755 . 0 0 "[ . 1 . 2]" 1
726 1 85 VAL H 1 128 GLY HA2 5.000 . 5.500 5.171 4.604 5.576 0.076 5 0 "[ . 1 . 2]" 1
727 1 84 THR H 1 86 SER H 5.500 . 6.050 5.386 4.664 5.670 . 0 0 "[ . 1 . 2]" 1
728 1 84 THR HB 1 86 SER H 4.300 . 4.730 3.276 2.791 3.634 . 0 0 "[ . 1 . 2]" 1
729 1 85 VAL HA 1 86 SER H 3.720 . 4.090 3.472 3.327 3.555 . 0 0 "[ . 1 . 2]" 1
730 1 85 VAL HB 1 86 SER H 4.000 . 4.400 4.059 3.931 4.267 . 0 0 "[ . 1 . 2]" 1
731 1 85 VAL MG2 1 86 SER H 4.340 . 4.770 3.208 2.323 3.980 . 0 0 "[ . 1 . 2]" 1
732 1 86 SER H 1 86 SER HB3 3.720 . 4.090 3.320 3.109 3.674 . 0 0 "[ . 1 . 2]" 1
733 1 86 SER H 1 87 HIS H 4.540 . 4.990 4.405 4.326 4.478 . 0 0 "[ . 1 . 2]" 1
734 1 86 SER H 1 127 GLU HB3 6.370 . 7.010 6.052 4.011 7.148 0.138 4 0 "[ . 1 . 2]" 1
735 1 85 VAL MG2 1 87 HIS H 6.430 . 7.070 5.851 5.406 6.221 . 0 0 "[ . 1 . 2]" 1
736 1 86 SER HA 1 87 HIS H 2.800 . 3.080 2.358 2.170 2.637 . 0 0 "[ . 1 . 2]" 1
737 1 86 SER HB3 1 87 HIS H 4.000 . 4.400 3.894 3.570 4.232 . 0 0 "[ . 1 . 2]" 1
738 1 87 HIS HB3 1 88 ARG HA 4.600 . 5.060 4.486 4.127 4.871 . 0 0 "[ . 1 . 2]" 1
739 1 87 HIS HB3 1 168 ARG HB2 5.790 . 6.370 5.090 4.241 5.578 . 0 0 "[ . 1 . 2]" 1
740 1 87 HIS H 1 87 HIS HB3 4.080 . 4.490 3.892 3.826 3.964 . 0 0 "[ . 1 . 2]" 1
741 1 86 SER HA 1 87 HIS HA 5.000 . 5.500 4.547 4.484 4.661 . 0 0 "[ . 1 . 2]" 1
742 1 87 HIS HA 1 128 GLY HA2 4.100 . 4.510 3.931 3.116 4.339 . 0 0 "[ . 1 . 2]" 1
743 1 87 HIS HA 1 127 GLU HB2 5.400 . 5.940 4.614 3.460 5.622 . 0 0 "[ . 1 . 2]" 1
744 1 87 HIS H 1 127 GLU HG3 5.400 . 5.940 4.436 3.576 6.046 0.106 2 0 "[ . 1 . 2]" 1
745 1 87 HIS HA 1 88 ARG H 3.660 . 4.030 2.181 2.153 2.216 . 0 0 "[ . 1 . 2]" 1
746 1 87 HIS H 1 88 ARG H 5.280 . 5.810 4.150 3.743 4.364 . 0 0 "[ . 1 . 2]" 1
747 1 87 HIS HB2 1 88 ARG H 4.200 . 4.620 4.249 4.045 4.475 . 0 0 "[ . 1 . 2]" 1
748 1 87 HIS HB3 1 88 ARG H 4.200 . 4.620 3.419 3.089 3.832 . 0 0 "[ . 1 . 2]" 1
749 1 88 ARG H 1 88 ARG HB2 4.000 . 4.400 3.243 2.892 3.424 . 0 0 "[ . 1 . 2]" 1
750 1 88 ARG H 1 88 ARG HB3 4.000 . 4.400 2.931 2.688 3.073 . 0 0 "[ . 1 . 2]" 1
751 1 88 ARG H 1 88 ARG HG3 4.700 . 5.170 4.793 4.562 4.881 . 0 0 "[ . 1 . 2]" 1
752 1 88 ARG H 1 125 VAL MG2 5.500 . 6.050 5.782 5.462 6.032 . 0 0 "[ . 1 . 2]" 1
753 1 88 ARG H 1 126 LEU HB2 5.000 . 5.500 4.361 3.965 4.679 . 0 0 "[ . 1 . 2]" 1
754 1 88 ARG H 1 127 GLU H 4.800 . 5.280 3.021 2.572 3.265 . 0 0 "[ . 1 . 2]" 1
755 1 88 ARG H 1 127 GLU HB2 4.500 . 4.950 4.588 2.759 5.062 0.112 18 0 "[ . 1 . 2]" 1
756 1 88 ARG H 1 127 GLU HB3 5.000 . 5.500 4.865 3.205 5.559 0.059 6 0 "[ . 1 . 2]" 1
757 1 87 HIS HB3 1 89 LEU H 5.770 . 6.350 5.545 4.738 6.402 0.052 10 0 "[ . 1 . 2]" 1
758 1 88 ARG HG3 1 89 LEU H 4.550 . 5.010 3.264 2.753 4.143 . 0 0 "[ . 1 . 2]" 1
759 1 88 ARG HA 1 89 LEU H 2.200 . 2.420 2.154 2.080 2.229 . 0 0 "[ . 1 . 2]" 1
760 1 89 LEU H 1 89 LEU HG 4.370 . 4.810 4.465 4.379 4.720 . 0 0 "[ . 1 . 2]" 1
761 1 89 LEU H 1 103 GLU HB2 6.000 . 6.600 6.465 6.039 6.721 0.121 18 0 "[ . 1 . 2]" 1
762 1 89 LEU H 1 105 SER HA 3.200 . 3.520 3.592 3.408 3.712 0.192 19 0 "[ . 1 . 2]" 1
763 1 89 LEU H 1 104 LEU H 3.300 . 3.630 3.062 2.815 3.313 . 0 0 "[ . 1 . 2]" 1
764 1 89 LEU H 1 104 LEU MD2 5.230 . 5.750 5.408 5.038 5.816 0.066 6 0 "[ . 1 . 2]" 1
765 1 89 LEU MD2 1 104 LEU H 5.500 . 6.050 5.248 4.101 5.666 . 0 0 "[ . 1 . 2]" 1
766 1 89 LEU HA 1 89 LEU MD2 4.000 . 4.400 3.961 3.639 4.010 . 0 0 "[ . 1 . 2]" 1
767 1 89 LEU MD2 1 125 VAL MG1 5.930 . 6.520 4.109 3.789 4.759 . 0 0 "[ . 1 . 2]" 1
768 1 89 LEU MD2 1 145 LEU MD1 5.200 . 5.720 2.413 2.106 3.547 . 0 0 "[ . 1 . 2]" 1
769 1 89 LEU MD2 1 166 LEU HG 4.100 . 4.510 3.499 2.138 4.581 0.071 2 0 "[ . 1 . 2]" 1
770 1 89 LEU HB3 1 90 ARG H 4.400 . 4.840 4.120 3.949 4.305 . 0 0 "[ . 1 . 2]" 1
771 1 89 LEU HA 1 90 ARG H 2.200 . 2.420 2.249 2.206 2.306 . 0 0 "[ . 1 . 2]" 1
772 1 90 ARG H 1 90 ARG HB2 3.960 . 4.360 2.714 2.567 2.851 . 0 0 "[ . 1 . 2]" 1
773 1 90 ARG H 1 91 LEU MD1 5.000 . 5.500 3.983 3.696 4.423 . 0 0 "[ . 1 . 2]" 1
774 1 90 ARG H 1 123 LEU HB3 5.470 . 6.020 4.353 3.921 5.158 . 0 0 "[ . 1 . 2]" 1
775 1 90 ARG H 1 124 HIS H 3.300 . 3.630 2.810 2.421 3.455 . 0 0 "[ . 1 . 2]" 1
776 1 90 ARG H 1 125 VAL HA 3.730 . 4.100 3.596 3.276 3.847 . 0 0 "[ . 1 . 2]" 1
777 1 90 ARG H 1 125 VAL H 4.500 . 4.950 4.611 4.345 4.906 . 0 0 "[ . 1 . 2]" 1
778 1 90 ARG H 1 125 VAL MG1 5.000 . 5.500 5.194 4.787 5.501 0.001 15 0 "[ . 1 . 2]" 1
779 1 90 ARG H 1 126 LEU H 4.950 . 5.440 4.256 4.046 4.538 . 0 0 "[ . 1 . 2]" 1
780 1 90 ARG H 1 126 LEU MD1 6.000 . 6.600 3.250 2.946 3.630 . 0 0 "[ . 1 . 2]" 1
781 1 90 ARG H 1 126 LEU MD2 5.700 . 6.270 5.741 5.439 6.178 . 0 0 "[ . 1 . 2]" 1
782 1 89 LEU MD1 1 91 LEU MD2 5.500 . 6.050 5.013 4.611 5.373 . 0 0 "[ . 1 . 2]" 1
783 1 90 ARG HB3 1 91 LEU H 4.380 . 4.820 3.590 3.266 3.933 . 0 0 "[ . 1 . 2]" 1
784 1 90 ARG HA 1 91 LEU H 2.200 . 2.420 2.126 2.057 2.227 . 0 0 "[ . 1 . 2]" 1
785 1 90 ARG HB2 1 91 LEU H 4.300 . 4.730 4.343 4.192 4.493 . 0 0 "[ . 1 . 2]" 1
786 1 91 LEU H 1 91 LEU MD2 4.770 . 5.250 4.031 3.786 4.155 . 0 0 "[ . 1 . 2]" 1
787 1 91 LEU H 1 123 LEU HA 5.000 . 5.500 5.112 4.801 5.298 . 0 0 "[ . 1 . 2]" 1
788 1 91 LEU HB2 1 123 LEU HA 5.830 . 6.410 5.983 5.620 6.174 . 0 0 "[ . 1 . 2]" 1
789 1 91 LEU HA 1 123 LEU HA 2.860 . 3.150 2.976 2.593 3.231 0.081 2 0 "[ . 1 . 2]" 1
790 1 91 LEU H 1 123 LEU MD2 5.200 . 5.720 4.235 3.838 5.363 . 0 0 "[ . 1 . 2]" 1
791 1 91 LEU H 1 92 TYR H 5.300 . 5.830 4.555 4.407 4.641 . 0 0 "[ . 1 . 2]" 1
792 1 91 LEU HB3 1 92 TYR H 4.250 . 4.680 3.231 2.835 3.564 . 0 0 "[ . 1 . 2]" 1
793 1 91 LEU HA 1 92 TYR H 2.200 . 2.420 2.247 2.173 2.309 . 0 0 "[ . 1 . 2]" 1
794 1 91 LEU MD2 1 92 TYR H 4.950 . 5.440 4.885 4.436 5.210 . 0 0 "[ . 1 . 2]" 1
795 1 91 LEU HB2 1 92 TYR H 4.270 . 4.700 4.192 3.948 4.386 . 0 0 "[ . 1 . 2]" 1
796 1 92 TYR H 1 92 TYR HB2 . . 3.520 2.676 2.576 2.787 . 0 0 "[ . 1 . 2]" 1
797 1 92 TYR H 1 93 GLU H 4.730 . 5.200 4.354 4.129 4.489 . 0 0 "[ . 1 . 2]" 1
798 1 92 TYR H 1 122 SER H 3.300 . 3.630 3.568 3.424 3.795 0.165 3 0 "[ . 1 . 2]" 1
799 1 92 TYR H 1 123 LEU HA 3.200 . 3.520 3.240 2.949 3.425 . 0 0 "[ . 1 . 2]" 1
800 1 92 TYR H 1 123 LEU HB3 5.500 . 6.050 5.394 4.999 5.707 . 0 0 "[ . 1 . 2]" 1
801 1 92 TYR H 1 123 LEU MD2 5.200 . 5.720 3.400 2.690 4.823 . 0 0 "[ . 1 . 2]" 1
802 1 92 TYR H 1 122 SER HB2 5.200 . 5.720 5.474 5.140 5.638 . 0 0 "[ . 1 . 2]" 1
803 1 92 TYR H 1 120 ILE MG 4.630 . 5.090 3.225 1.932 5.186 0.096 7 0 "[ . 1 . 2]" 1
804 1 92 TYR HA 1 93 GLU H 3.720 . 4.090 2.130 2.064 2.198 . 0 0 "[ . 1 . 2]" 1
805 1 93 GLU H 1 93 GLU HG3 4.820 . 5.300 4.294 2.854 4.595 . 0 0 "[ . 1 . 2]" 1
806 1 93 GLU H 1 93 GLU HB3 3.600 . 3.960 2.543 2.186 3.556 . 0 0 "[ . 1 . 2]" 1
807 1 93 GLU H 1 94 ARG H 4.170 . 4.590 2.621 2.460 2.760 . 0 0 "[ . 1 . 2]" 1
808 1 93 GLU H 1 94 ARG HB2 5.000 . 5.500 5.028 4.819 5.209 . 0 0 "[ . 1 . 2]" 1
809 1 93 GLU H 1 100 LEU H 4.000 . 4.400 3.276 2.986 3.573 . 0 0 "[ . 1 . 2]" 1
810 1 93 GLU H 1 100 LEU HB2 5.000 . 5.500 4.164 3.500 5.054 . 0 0 "[ . 1 . 2]" 1
811 1 92 TYR HB3 1 93 GLU H 4.500 . 4.950 3.107 2.725 3.627 . 0 0 "[ . 1 . 2]" 1
812 1 93 GLU H 1 101 MET HA 3.800 . 4.180 4.024 3.803 4.274 0.094 13 0 "[ . 1 . 2]" 1
813 1 93 GLU HA 1 94 ARG H 4.340 . 4.770 3.520 3.379 3.565 . 0 0 "[ . 1 . 2]" 1
814 1 93 GLU HB3 1 94 ARG H 4.300 . 4.730 3.001 2.444 4.109 . 0 0 "[ . 1 . 2]" 1
815 1 94 ARG H 1 94 ARG HD3 5.000 . 5.500 4.402 3.168 5.242 . 0 0 "[ . 1 . 2]" 1
816 1 94 ARG HA 1 95 GLU HG3 6.000 . 6.600 3.979 3.656 4.686 . 0 0 "[ . 1 . 2]" 1
817 1 94 ARG HA 1 95 GLU H 3.910 . 4.300 2.304 2.221 2.453 . 0 0 "[ . 1 . 2]" 1
818 1 94 ARG H 1 98 LYS HB2 5.000 . 5.500 4.278 3.597 4.716 . 0 0 "[ . 1 . 2]" 1
819 1 92 TYR HB3 1 94 ARG H 4.600 . 5.060 3.067 2.797 3.459 . 0 0 "[ . 1 . 2]" 1
820 1 92 TYR HB2 1 94 ARG H 4.600 . 5.060 4.193 3.907 4.571 . 0 0 "[ . 1 . 2]" 1
821 1 94 ARG H 1 121 ARG HB2 5.000 . 5.500 3.983 3.587 4.867 . 0 0 "[ . 1 . 2]" 1
822 1 94 ARG H 1 95 GLU H 4.800 . 5.280 4.473 4.386 4.515 . 0 0 "[ . 1 . 2]" 1
823 1 94 ARG HB3 1 95 GLU H 3.500 . 3.850 3.019 2.261 3.864 0.014 12 0 "[ . 1 . 2]" 1
824 1 95 GLU H 1 95 GLU HG3 4.500 . 4.950 2.428 2.047 3.170 . 0 0 "[ . 1 . 2]" 1
825 1 95 GLU H 1 95 GLU HG2 4.500 . 4.950 3.562 3.042 4.044 . 0 0 "[ . 1 . 2]" 1
826 1 95 GLU H 1 121 ARG HB2 4.000 . 4.400 3.438 2.605 3.909 . 0 0 "[ . 1 . 2]" 1
827 1 95 GLU H 1 122 SER HB2 6.000 . 6.600 6.401 6.038 6.652 0.052 4 0 "[ . 1 . 2]" 1
828 1 95 GLU HG2 1 152 ARG HB2 4.250 . 4.680 3.401 2.436 4.346 . 0 0 "[ . 1 . 2]" 1
829 1 95 GLU HB3 1 152 ARG HB2 4.500 . 4.950 3.982 3.245 4.959 0.009 9 0 "[ . 1 . 2]" 1
830 1 95 GLU HB3 1 96 ASP H 4.130 . 4.540 2.408 2.168 3.019 . 0 0 "[ . 1 . 2]" 1
831 1 95 GLU HA 1 96 ASP H 4.480 . 4.930 2.396 2.147 2.536 . 0 0 "[ . 1 . 2]" 1
832 1 96 ASP H 1 97 HIS H 4.990 . 5.490 2.648 2.585 2.782 . 0 0 "[ . 1 . 2]" 1
833 1 96 ASP H 1 122 SER HB3 4.990 . 5.490 2.826 2.479 3.520 . 0 0 "[ . 1 . 2]" 1
834 1 96 ASP HB3 1 151 ARG HB3 5.950 . 6.540 4.970 4.231 5.684 . 0 0 "[ . 1 . 2]" 1
835 1 96 ASP HA 1 97 HIS H 4.630 . 5.090 2.920 2.546 3.042 . 0 0 "[ . 1 . 2]" 1
836 1 92 TYR HB2 1 97 HIS H 4.500 . 4.950 4.121 3.878 4.410 . 0 0 "[ . 1 . 2]" 1
837 1 97 HIS H 1 122 SER HB2 4.990 . 5.490 3.071 2.869 3.449 . 0 0 "[ . 1 . 2]" 1
838 1 97 HIS H 1 97 HIS HB3 4.000 . 4.400 4.082 4.041 4.139 . 0 0 "[ . 1 . 2]" 1
839 1 97 HIS H 1 98 LYS HB2 6.000 . 6.600 4.867 4.621 5.082 . 0 0 "[ . 1 . 2]" 1
840 1 92 TYR HB3 1 98 LYS H 4.000 . 4.400 3.195 2.689 3.835 . 0 0 "[ . 1 . 2]" 1
841 1 97 HIS HB3 1 98 LYS H 4.500 . 4.950 4.474 4.391 4.566 . 0 0 "[ . 1 . 2]" 1
842 1 97 HIS HA 1 98 LYS H 3.860 . 4.250 2.683 2.489 2.988 . 0 0 "[ . 1 . 2]" 1
843 1 97 HIS H 1 98 LYS H 3.940 . 4.330 2.720 2.524 2.914 . 0 0 "[ . 1 . 2]" 1
844 1 94 ARG H 1 98 LYS H 4.200 . 4.620 3.761 3.178 4.484 . 0 0 "[ . 1 . 2]" 1
845 1 94 ARG HB2 1 99 GLY H 5.300 . 5.830 3.806 3.043 4.648 . 0 0 "[ . 1 . 2]" 1
846 1 98 LYS HA 1 99 GLY H 3.390 . 3.730 2.563 2.442 2.728 . 0 0 "[ . 1 . 2]" 1
847 1 98 LYS H 1 99 GLY H 4.900 . 5.390 4.450 4.348 4.566 . 0 0 "[ . 1 . 2]" 1
848 1 98 LYS HB3 1 99 GLY H 3.540 . 3.890 2.150 1.918 2.377 . 0 0 "[ . 1 . 2]" 1
849 1 99 GLY HA3 1 100 LEU H 3.640 . 4.000 2.234 2.146 2.319 . 0 0 "[ . 1 . 2]" 1
850 1 99 GLY HA2 1 100 LEU H 3.940 . 4.330 2.986 2.888 3.169 . 0 0 "[ . 1 . 2]" 1
851 1 99 GLY H 1 100 LEU H 4.990 . 5.490 4.607 4.547 4.643 . 0 0 "[ . 1 . 2]" 1
852 1 93 GLU HB2 1 100 LEU H 4.500 . 4.950 2.664 2.066 4.342 . 0 0 "[ . 1 . 2]" 1
853 1 93 GLU HG2 1 100 LEU H 4.200 . 4.620 3.503 2.327 4.707 0.087 8 0 "[ . 1 . 2]" 1
854 1 93 GLU H 1 101 MET H 5.200 . 5.720 5.104 4.925 5.261 . 0 0 "[ . 1 . 2]" 1
855 1 100 LEU HB3 1 101 MET H 4.300 . 4.730 3.377 2.338 4.348 . 0 0 "[ . 1 . 2]" 1
856 1 100 LEU H 1 101 MET H 4.900 . 5.390 4.548 4.437 4.626 . 0 0 "[ . 1 . 2]" 1
857 1 100 LEU HA 1 101 MET H 3.230 . 3.550 2.228 2.103 2.414 . 0 0 "[ . 1 . 2]" 1
858 1 101 MET H 1 101 MET HB3 3.560 . 3.920 2.622 2.421 2.889 . 0 0 "[ . 1 . 2]" 1
859 1 101 MET HA 1 102 MET H 2.200 . 2.420 2.218 2.122 2.312 . 0 0 "[ . 1 . 2]" 1
860 1 101 MET H 1 102 MET H 5.000 . 5.500 4.402 4.170 4.505 . 0 0 "[ . 1 . 2]" 1
861 1 90 ARG HB2 1 102 MET H 5.000 . 5.500 5.449 5.081 5.560 0.060 10 0 "[ . 1 . 2]" 1
862 1 91 LEU H 1 102 MET H 3.500 . 3.850 3.059 2.703 3.547 . 0 0 "[ . 1 . 2]" 1
863 1 92 TYR QD 1 102 MET H 5.000 . 5.500 5.037 4.467 5.320 . 0 0 "[ . 1 . 2]" 1
864 1 101 MET HB3 1 102 MET H 3.920 . 4.310 4.143 3.943 4.327 0.017 13 0 "[ . 1 . 2]" 1
865 1 102 MET H 1 102 MET HB3 3.900 . 4.290 2.801 2.648 2.925 . 0 0 "[ . 1 . 2]" 1
866 1 102 MET HG3 1 103 GLU HB3 5.730 . 6.300 5.953 5.631 6.439 0.139 13 0 "[ . 1 . 2]" 1
867 1 102 MET HB3 1 103 GLU H 4.220 . 4.640 4.349 4.120 4.499 . 0 0 "[ . 1 . 2]" 1
868 1 102 MET HB2 1 103 GLU H 4.300 . 4.730 4.370 4.225 4.515 . 0 0 "[ . 1 . 2]" 1
869 1 91 LEU H 1 103 GLU HA 3.750 . 4.130 3.677 2.910 3.953 . 0 0 "[ . 1 . 2]" 1
870 1 91 LEU MD1 1 103 GLU H 5.000 . 5.500 4.965 4.588 5.157 . 0 0 "[ . 1 . 2]" 1
871 1 102 MET HG3 1 103 GLU H 4.670 . 5.140 3.462 3.110 3.904 . 0 0 "[ . 1 . 2]" 1
872 1 102 MET HA 1 103 GLU H 2.200 . 2.420 2.180 2.119 2.291 . 0 0 "[ . 1 . 2]" 1
873 1 103 GLU H 1 103 GLU HB3 3.700 . 4.070 3.649 3.618 3.700 . 0 0 "[ . 1 . 2]" 1
874 1 103 GLU HA 1 104 LEU H 2.200 . 2.420 2.291 2.207 2.413 . 0 0 "[ . 1 . 2]" 1
875 1 103 GLU HB2 1 104 LEU H 4.000 . 4.400 3.799 3.546 4.043 . 0 0 "[ . 1 . 2]" 1
876 1 104 LEU H 1 104 LEU HB3 3.900 . 4.290 3.002 2.921 3.120 . 0 0 "[ . 1 . 2]" 1
877 1 104 LEU H 1 104 LEU HB2 3.870 . 4.260 3.369 3.257 3.468 . 0 0 "[ . 1 . 2]" 1
878 1 104 LEU HB3 1 105 SER H 5.130 . 5.640 4.191 4.016 4.403 . 0 0 "[ . 1 . 2]" 1
879 1 104 LEU HA 1 105 SER H 2.300 . 2.530 2.178 2.131 2.232 . 0 0 "[ . 1 . 2]" 1
880 1 104 LEU MD1 1 105 SER H 4.500 . 4.950 2.572 2.295 3.052 . 0 0 "[ . 1 . 2]" 1
881 1 105 SER HA 1 106 GLU H 3.100 . 3.410 3.209 3.017 3.320 . 0 0 "[ . 1 . 2]" 1
882 1 105 SER H 1 106 GLU H 4.060 . 4.470 2.026 1.794 2.270 0.006 18 0 "[ . 1 . 2]" 1
883 1 106 GLU H 1 106 GLU HB3 4.000 . 4.400 3.778 3.655 3.844 . 0 0 "[ . 1 . 2]" 1
884 1 106 GLU HA 1 106 GLU HG2 3.600 . 3.960 3.428 2.693 3.832 . 0 0 "[ . 1 . 2]" 1
885 1 106 GLU HB2 1 106 GLU HG2 2.900 . 3.190 2.504 2.415 3.032 . 0 0 "[ . 1 . 2]" 1
886 1 104 LEU HB2 1 106 GLU H 4.500 . 4.950 4.799 4.635 5.078 0.128 19 0 "[ . 1 . 2]" 1
887 1 104 LEU MD1 1 106 GLU H 4.500 . 4.950 2.455 2.288 2.766 . 0 0 "[ . 1 . 2]" 1
888 1 106 GLU H 1 107 ASP H 4.980 . 5.480 4.498 4.474 4.529 . 0 0 "[ . 1 . 2]" 1
889 1 106 GLU HA 1 107 ASP H 3.410 . 3.750 2.383 2.320 2.436 . 0 0 "[ . 1 . 2]" 1
890 1 104 LEU MD1 1 107 ASP H 6.000 . 6.600 4.919 4.741 5.169 . 0 0 "[ . 1 . 2]" 1
891 1 107 ASP H 1 107 ASP HB3 4.000 . 4.400 3.641 3.620 3.667 . 0 0 "[ . 1 . 2]" 1
892 1 107 ASP H 1 107 ASP HB2 3.500 . 3.850 2.619 2.509 2.751 . 0 0 "[ . 1 . 2]" 1
893 1 107 ASP H 1 108 CYS H 4.800 . 5.280 4.502 4.347 4.670 . 0 0 "[ . 1 . 2]" 1
894 1 107 ASP HA 1 108 CYS H 2.200 . 2.420 2.203 2.157 2.292 . 0 0 "[ . 1 . 2]" 1
895 1 107 ASP HB3 1 108 CYS H 4.230 . 4.650 3.481 2.913 3.768 . 0 0 "[ . 1 . 2]" 1
896 1 107 ASP HB2 1 108 CYS H 4.330 . 4.760 4.245 3.938 4.424 . 0 0 "[ . 1 . 2]" 1
897 1 108 CYS H 1 167 ARG HA 3.700 . 4.070 3.753 3.377 4.093 0.023 20 0 "[ . 1 . 2]" 1
898 1 108 CYS H 1 166 LEU MD1 5.000 . 5.500 4.760 4.265 5.538 0.038 10 0 "[ . 1 . 2]" 1
899 1 108 CYS H 1 166 LEU HG 5.100 . 5.610 5.231 4.789 5.653 0.043 10 0 "[ . 1 . 2]" 1
900 1 108 CYS H 1 167 ARG HB2 5.000 . 5.500 5.216 4.623 5.633 0.133 5 0 "[ . 1 . 2]" 1
901 1 108 CYS HA 1 110 SER H 4.110 . 4.520 3.755 3.523 3.994 . 0 0 "[ . 1 . 2]" 1
902 1 104 LEU MD1 1 108 CYS HB2 4.500 . 4.950 2.757 1.867 3.488 . 0 0 "[ . 1 . 2]" 1
903 1 108 CYS HA 1 109 PRO HD2 5.000 . 5.500 2.423 2.094 2.808 . 0 0 "[ . 1 . 2]" 1
904 1 108 CYS HB2 1 110 SER H 5.000 . 5.500 5.005 4.679 5.330 . 0 0 "[ . 1 . 2]" 1
905 1 109 PRO HA 1 110 SER H 4.780 . 5.260 3.491 3.385 3.589 . 0 0 "[ . 1 . 2]" 1
906 1 110 SER H 1 111 ILE H 4.120 . 4.530 3.845 3.509 4.329 . 0 0 "[ . 1 . 2]" 1
907 1 110 SER HB3 1 111 ILE H 4.200 . 4.620 4.131 3.745 4.504 . 0 0 "[ . 1 . 2]" 1
908 1 110 SER H 1 111 ILE HG12 5.000 . 5.500 5.074 4.772 5.445 . 0 0 "[ . 1 . 2]" 1
909 1 110 SER H 1 114 ARG HD2 5.000 . 5.500 4.543 3.645 5.595 0.095 13 0 "[ . 1 . 2]" 1
910 1 110 SER HB3 1 136 PRO HG3 5.500 . 6.050 4.129 3.373 5.045 . 0 0 "[ . 1 . 2]" 1
911 1 110 SER HB2 1 136 PRO HG3 5.500 . 6.050 4.509 3.461 5.712 . 0 0 "[ . 1 . 2]" 1
912 1 110 SER H 1 136 PRO HB3 5.000 . 5.500 5.056 4.746 5.372 . 0 0 "[ . 1 . 2]" 1
913 1 110 SER H 1 165 SER HA 5.000 . 5.500 4.207 3.854 4.602 . 0 0 "[ . 1 . 2]" 1
914 1 110 SER HA 1 111 ILE H 3.880 . 4.270 2.236 2.157 2.341 . 0 0 "[ . 1 . 2]" 1
915 1 111 ILE H 1 111 ILE HB 3.500 . 3.850 2.743 2.623 2.855 . 0 0 "[ . 1 . 2]" 1
916 1 111 ILE H 1 111 ILE QG 3.800 . 4.180 2.125 1.878 2.692 . 0 0 "[ . 1 . 2]" 1
917 1 111 ILE H 1 111 ILE MD 5.000 . 5.500 3.644 3.496 4.026 . 0 0 "[ . 1 . 2]" 1
918 1 111 ILE H 1 165 SER HB3 5.000 . 5.500 3.876 3.430 4.841 . 0 0 "[ . 1 . 2]" 1
919 1 111 ILE H 1 165 SER HA 3.800 . 4.180 2.969 2.319 4.127 . 0 0 "[ . 1 . 2]" 1
920 1 111 ILE H 1 136 PRO HB3 5.000 . 5.500 3.987 3.240 4.785 . 0 0 "[ . 1 . 2]" 1
921 1 111 ILE H 1 136 PRO HG3 5.000 . 5.500 4.519 3.159 5.570 0.070 12 0 "[ . 1 . 2]" 1
922 1 111 ILE HA 1 112 GLN HB2 6.100 . 6.710 5.879 5.779 5.984 . 0 0 "[ . 1 . 2]" 1
923 1 111 ILE MG 1 112 GLN H 5.160 . 5.680 3.729 3.454 3.906 . 0 0 "[ . 1 . 2]" 1
924 1 111 ILE H 1 112 GLN H 3.200 . 3.520 2.437 1.957 2.732 . 0 0 "[ . 1 . 2]" 1
925 1 110 SER HB2 1 112 GLN H 4.800 . 5.280 4.118 3.408 5.081 . 0 0 "[ . 1 . 2]" 1
926 1 111 ILE HB 1 112 GLN HB3 6.680 . 7.350 4.987 4.542 5.290 . 0 0 "[ . 1 . 2]" 1
927 1 111 ILE HG13 1 112 GLN H 4.510 . 4.960 4.049 3.888 4.825 . 0 0 "[ . 1 . 2]" 1
928 1 111 ILE MD 1 112 GLN H 5.000 . 5.500 4.533 4.280 4.741 . 0 0 "[ . 1 . 2]" 1
929 1 111 ILE HA 1 112 GLN H 4.220 . 4.640 3.530 3.486 3.574 . 0 0 "[ . 1 . 2]" 1
930 1 112 GLN H 1 112 GLN HG2 5.000 . 5.500 4.628 4.574 4.659 . 0 0 "[ . 1 . 2]" 1
931 1 112 GLN H 1 112 GLN HG3 4.420 . 4.860 4.485 4.429 4.521 . 0 0 "[ . 1 . 2]" 1
932 1 112 GLN H 1 112 GLN HB2 3.480 . 3.830 2.541 2.456 2.639 . 0 0 "[ . 1 . 2]" 1
933 1 112 GLN HA 1 112 GLN HE22 5.340 . 5.870 3.330 3.211 3.545 . 0 0 "[ . 1 . 2]" 1
934 1 112 GLN H 1 117 LEU H . . 4.950 4.712 4.460 4.975 0.025 11 0 "[ . 1 . 2]" 1
935 1 112 GLN H 1 136 PRO HA 6.000 . 6.600 5.595 4.966 6.346 . 0 0 "[ . 1 . 2]" 1
936 1 112 GLN H 1 165 SER H 6.000 . 6.600 6.114 5.578 6.609 0.009 10 0 "[ . 1 . 2]" 1
937 1 112 GLN HB2 1 112 GLN HE22 4.300 . 4.730 3.638 3.508 3.698 . 0 0 "[ . 1 . 2]" 1
938 1 112 GLN HB2 1 112 GLN HE21 4.360 . 4.800 2.016 1.911 2.073 . 0 0 "[ . 1 . 2]" 1
939 1 112 GLN HB3 1 112 GLN HE22 4.760 . 5.240 4.920 4.874 4.944 . 0 0 "[ . 1 . 2]" 1
940 1 112 GLN HB3 1 112 GLN HE21 3.600 . 3.960 3.550 3.491 3.584 . 0 0 "[ . 1 . 2]" 1
941 1 112 GLN HE21 1 112 GLN HG2 2.700 . 2.970 2.928 2.874 2.956 . 0 0 "[ . 1 . 2]" 1
942 1 112 GLN HE22 1 112 GLN HG2 3.610 . 3.970 3.786 3.755 3.800 . 0 0 "[ . 1 . 2]" 1
943 1 112 GLN HE21 1 118 SER HA 4.500 . 4.950 2.546 2.034 3.240 . 0 0 "[ . 1 . 2]" 1
944 1 112 GLN HA 1 112 GLN HE21 4.110 . 4.520 2.587 2.416 2.931 . 0 0 "[ . 1 . 2]" 1
945 1 112 GLN H 1 112 GLN HB3 3.530 . 3.880 2.500 2.412 2.578 . 0 0 "[ . 1 . 2]" 1
946 1 110 SER HB2 1 113 ASP H 4.800 . 5.280 2.875 2.296 3.727 . 0 0 "[ . 1 . 2]" 1
947 1 110 SER HA 1 113 ASP H 6.000 . 6.600 4.290 4.023 4.579 . 0 0 "[ . 1 . 2]" 1
948 1 112 GLN HG3 1 113 ASP H 4.000 . 4.400 3.957 3.611 4.213 . 0 0 "[ . 1 . 2]" 1
949 1 112 GLN HA 1 113 ASP H 4.730 . 5.200 3.528 3.483 3.587 . 0 0 "[ . 1 . 2]" 1
950 1 112 GLN HB3 1 113 ASP H 4.160 . 4.580 2.836 2.664 3.055 . 0 0 "[ . 1 . 2]" 1
951 1 112 GLN HB2 1 113 ASP H 4.070 . 4.480 4.034 3.920 4.133 . 0 0 "[ . 1 . 2]" 1
952 1 112 GLN H 1 113 ASP H 2.700 . 2.970 2.691 2.638 2.765 . 0 0 "[ . 1 . 2]" 1
953 1 113 ASP H 1 113 ASP HB2 3.730 . 4.100 2.479 2.406 2.633 . 0 0 "[ . 1 . 2]" 1
954 1 113 ASP H 1 113 ASP HB3 3.730 . 4.100 3.640 3.609 3.676 . 0 0 "[ . 1 . 2]" 1
955 1 113 ASP H 1 114 ARG H 2.700 . 2.970 2.477 2.330 2.671 . 0 0 "[ . 1 . 2]" 1
956 1 113 ASP H 1 114 ARG HB2 5.000 . 5.500 4.741 4.541 4.937 . 0 0 "[ . 1 . 2]" 1
957 1 110 SER HB3 1 114 ARG H 6.000 . 6.600 5.443 4.371 6.342 . 0 0 "[ . 1 . 2]" 1
958 1 112 GLN H 1 114 ARG H 5.220 . 5.740 3.960 3.872 4.144 . 0 0 "[ . 1 . 2]" 1
959 1 112 GLN HA 1 114 ARG H 3.790 . 4.170 4.032 3.831 4.186 0.016 18 0 "[ . 1 . 2]" 1
960 1 112 GLN HB2 1 114 ARG H 5.300 . 5.830 5.626 5.515 5.819 . 0 0 "[ . 1 . 2]" 1
961 1 113 ASP HA 1 114 ARG H 4.950 . 5.440 3.437 3.331 3.534 . 0 0 "[ . 1 . 2]" 1
962 1 113 ASP HB3 1 114 ARG H 4.080 . 4.490 4.136 3.953 4.357 . 0 0 "[ . 1 . 2]" 1
963 1 114 ARG H 1 114 ARG HB3 3.780 . 4.160 3.708 3.673 3.758 . 0 0 "[ . 1 . 2]" 1
964 1 114 ARG HA 1 116 HIS H 5.900 . 6.490 4.558 4.382 4.787 . 0 0 "[ . 1 . 2]" 1
965 1 112 GLN HA 1 115 PHE H 4.110 . 4.520 4.384 4.078 4.676 0.156 9 0 "[ . 1 . 2]" 1
966 1 114 ARG HA 1 115 PHE H 4.280 . 4.710 3.593 3.567 3.615 . 0 0 "[ . 1 . 2]" 1
967 1 114 ARG H 1 115 PHE H 3.000 . 3.300 2.685 2.380 2.912 . 0 0 "[ . 1 . 2]" 1
968 1 114 ARG HB2 1 115 PHE HB3 4.800 . 5.280 4.324 3.832 4.653 . 0 0 "[ . 1 . 2]" 1
969 1 114 ARG HB2 1 115 PHE HB2 3.700 . 4.070 3.735 3.416 4.089 0.019 16 0 "[ . 1 . 2]" 1
970 1 115 PHE H 1 115 PHE HB2 4.110 . 4.520 2.793 2.445 3.167 . 0 0 "[ . 1 . 2]" 1
971 1 115 PHE H 1 116 HIS H 3.770 . 4.150 2.195 1.763 2.456 0.037 16 0 "[ . 1 . 2]" 1
972 1 115 PHE H 1 117 LEU H 4.860 . 5.350 3.449 3.093 3.912 . 0 0 "[ . 1 . 2]" 1
973 1 114 ARG H 1 116 HIS H 4.810 . 5.290 3.177 2.870 3.451 . 0 0 "[ . 1 . 2]" 1
974 1 115 PHE HB2 1 116 HIS H 4.730 . 5.200 4.322 4.111 4.535 . 0 0 "[ . 1 . 2]" 1
975 1 115 PHE HA 1 116 HIS H 3.660 . 4.030 3.219 3.022 3.377 . 0 0 "[ . 1 . 2]" 1
976 1 115 PHE HB3 1 116 HIS H 4.000 . 4.400 3.747 3.385 4.074 . 0 0 "[ . 1 . 2]" 1
977 1 116 HIS H 1 116 HIS HB3 4.000 . 4.400 4.130 4.090 4.172 . 0 0 "[ . 1 . 2]" 1
978 1 116 HIS H 1 117 LEU H 3.970 . 4.370 2.698 2.505 2.847 . 0 0 "[ . 1 . 2]" 1
979 1 116 HIS H 1 117 LEU HG 5.000 . 5.500 4.518 3.905 4.828 . 0 0 "[ . 1 . 2]" 1
980 1 111 ILE MG 1 116 HIS H 5.000 . 5.500 4.175 3.655 4.768 . 0 0 "[ . 1 . 2]" 1
981 1 116 HIS H 1 117 LEU HB3 6.000 . 6.600 6.332 6.119 6.470 . 0 0 "[ . 1 . 2]" 1
982 1 112 GLN HB3 1 117 LEU H 5.900 . 6.490 5.842 5.431 6.164 . 0 0 "[ . 1 . 2]" 1
983 1 115 PHE HB2 1 117 LEU H 5.000 . 5.500 4.708 4.319 4.962 . 0 0 "[ . 1 . 2]" 1
984 1 115 PHE QD 1 117 LEU H 4.200 . 4.620 4.226 3.711 4.592 . 0 0 "[ . 1 . 2]" 1
985 1 116 HIS HA 1 117 LEU H 3.730 . 4.100 2.951 2.593 3.062 . 0 0 "[ . 1 . 2]" 1
986 1 116 HIS HB3 1 117 LEU H 4.250 . 4.680 4.475 4.440 4.522 . 0 0 "[ . 1 . 2]" 1
987 1 117 LEU H 1 117 LEU HB2 4.020 . 4.420 2.512 2.433 2.635 . 0 0 "[ . 1 . 2]" 1
988 1 117 LEU H 1 117 LEU HB3 3.840 . 4.220 3.667 3.624 3.769 . 0 0 "[ . 1 . 2]" 1
989 1 117 LEU H 1 117 LEU MD1 4.200 . 4.620 3.850 3.680 4.238 . 0 0 "[ . 1 . 2]" 1
990 1 117 LEU H 1 117 LEU HG 3.990 . 4.390 2.615 2.399 2.988 . 0 0 "[ . 1 . 2]" 1
991 1 117 LEU H 1 118 SER HB3 6.430 . 7.070 5.966 5.557 6.258 . 0 0 "[ . 1 . 2]" 1
992 1 117 LEU HB3 1 118 SER H 4.730 . 5.200 3.691 3.244 3.995 . 0 0 "[ . 1 . 2]" 1
993 1 117 LEU H 1 118 SER H 5.000 . 5.500 4.303 4.061 4.475 . 0 0 "[ . 1 . 2]" 1
994 1 117 LEU HA 1 118 SER H 3.750 . 4.130 2.149 2.090 2.203 . 0 0 "[ . 1 . 2]" 1
995 1 117 LEU HB2 1 118 SER H 5.000 . 5.500 4.384 4.135 4.491 . 0 0 "[ . 1 . 2]" 1
996 1 117 LEU MD1 1 118 SER H 5.000 . 5.500 5.386 5.076 5.573 0.073 15 0 "[ . 1 . 2]" 1
997 1 112 GLN HE21 1 119 GLU H 5.500 . 6.050 5.116 4.702 5.993 . 0 0 "[ . 1 . 2]" 1
998 1 117 LEU H 1 119 GLU H 5.890 . 6.480 5.713 5.355 6.176 . 0 0 "[ . 1 . 2]" 1
999 1 117 LEU MD1 1 119 GLU H 5.000 . 5.500 5.224 4.645 5.589 0.089 6 0 "[ . 1 . 2]" 1
1000 1 118 SER HA 1 119 GLU H 3.730 . 4.100 3.443 3.238 3.542 . 0 0 "[ . 1 . 2]" 1
1001 1 118 SER H 1 119 GLU H 3.730 . 4.100 2.283 2.013 2.444 . 0 0 "[ . 1 . 2]" 1
1002 1 119 GLU H 1 119 GLU HB3 3.800 . 4.180 3.857 3.771 3.932 . 0 0 "[ . 1 . 2]" 1
1003 1 119 GLU HA 1 120 ILE HB 5.000 . 5.500 4.669 4.305 4.923 . 0 0 "[ . 1 . 2]" 1
1004 1 119 GLU HA 1 120 ILE H 3.000 . 3.300 2.219 2.154 2.321 . 0 0 "[ . 1 . 2]" 1
1005 1 119 GLU H 1 120 ILE H 4.550 . 5.010 4.239 3.865 4.409 . 0 0 "[ . 1 . 2]" 1
1006 1 119 GLU HB2 1 120 ILE H 4.100 . 4.510 4.145 3.639 4.543 0.033 14 0 "[ . 1 . 2]" 1
1007 1 120 ILE H 1 120 ILE HB 3.000 . 3.300 2.754 2.358 3.306 0.006 17 0 "[ . 1 . 2]" 1
1008 1 120 ILE H 1 121 ARG HA 5.000 . 5.500 4.766 4.151 5.137 . 0 0 "[ . 1 . 2]" 1
1009 1 120 ILE MG 1 122 SER H 4.200 . 4.620 3.092 2.301 4.599 . 0 0 "[ . 1 . 2]" 1
1010 1 120 ILE H 1 123 LEU MD2 6.000 . 6.600 5.879 5.489 6.530 . 0 0 "[ . 1 . 2]" 1
1011 1 120 ILE H 1 163 ALA MB 4.550 . 5.010 2.532 2.076 3.115 . 0 0 "[ . 1 . 2]" 1
1012 1 91 LEU MD2 1 120 ILE HB 5.000 . 5.500 4.292 2.963 5.440 . 0 0 "[ . 1 . 2]" 1
1013 1 120 ILE H 1 121 ARG H 5.000 . 5.500 4.314 4.016 4.529 . 0 0 "[ . 1 . 2]" 1
1014 1 120 ILE HA 1 121 ARG H 3.590 . 3.950 2.186 2.119 2.362 . 0 0 "[ . 1 . 2]" 1
1015 1 120 ILE MD 1 121 ARG H 5.980 . 6.580 3.862 2.092 5.530 . 0 0 "[ . 1 . 2]" 1
1016 1 120 ILE MG 1 121 ARG H 5.000 . 5.500 3.100 2.550 4.112 . 0 0 "[ . 1 . 2]" 1
1017 1 121 ARG H 1 121 ARG HB2 3.880 . 4.270 2.382 2.182 2.755 . 0 0 "[ . 1 . 2]" 1
1018 1 121 ARG H 1 121 ARG HD3 5.400 . 5.940 3.954 2.555 5.129 . 0 0 "[ . 1 . 2]" 1
1019 1 121 ARG H 1 121 ARG HB3 4.000 . 4.400 3.609 3.489 3.758 . 0 0 "[ . 1 . 2]" 1
1020 1 121 ARG HB2 1 122 SER H 4.140 . 4.550 2.935 2.476 3.742 . 0 0 "[ . 1 . 2]" 1
1021 1 121 ARG HB3 1 122 SER H 4.080 . 4.490 3.690 3.008 4.265 . 0 0 "[ . 1 . 2]" 1
1022 1 121 ARG H 1 122 SER H 3.710 . 4.080 2.395 2.164 2.700 . 0 0 "[ . 1 . 2]" 1
1023 1 121 ARG HA 1 122 SER H 4.090 . 4.500 3.526 3.379 3.603 . 0 0 "[ . 1 . 2]" 1
1024 1 92 TYR HB3 1 122 SER H 4.910 . 5.400 4.406 3.983 4.682 . 0 0 "[ . 1 . 2]" 1
1025 1 122 SER H 1 122 SER HB2 4.000 . 4.400 3.956 3.831 4.043 . 0 0 "[ . 1 . 2]" 1
1026 1 122 SER H 1 123 LEU MD2 6.380 . 7.020 4.862 4.311 5.764 . 0 0 "[ . 1 . 2]" 1
1027 1 92 TYR QD 1 122 SER H 5.000 . 5.500 4.673 4.190 5.040 . 0 0 "[ . 1 . 2]" 1
1028 1 123 LEU HA 1 123 LEU HB3 2.500 . 2.750 2.546 2.435 2.616 . 0 0 "[ . 1 . 2]" 1
1029 1 123 LEU H 1 123 LEU HB2 4.000 . 4.400 2.704 2.560 2.844 . 0 0 "[ . 1 . 2]" 1
1030 1 123 LEU H 1 123 LEU HB3 4.000 . 4.400 3.814 3.731 3.876 . 0 0 "[ . 1 . 2]" 1
1031 1 123 LEU HB2 1 123 LEU MD1 2.600 . 2.860 2.322 2.268 2.359 . 0 0 "[ . 1 . 2]" 1
1032 1 123 LEU HB3 1 123 LEU MD1 3.210 . 3.530 2.714 2.449 3.221 . 0 0 "[ . 1 . 2]" 1
1033 1 123 LEU HB2 1 123 LEU MD2 3.200 . 3.520 3.081 2.688 3.249 . 0 0 "[ . 1 . 2]" 1
1034 1 123 LEU HB3 1 123 LEU MD2 3.210 . 3.530 2.345 2.247 2.417 . 0 0 "[ . 1 . 2]" 1
1035 1 123 LEU HB2 1 123 LEU HG 2.900 . 3.190 2.682 2.495 3.035 . 0 0 "[ . 1 . 2]" 1
1036 1 91 LEU HA 1 123 LEU HB2 5.000 . 5.500 5.329 4.869 5.568 0.068 13 0 "[ . 1 . 2]" 1
1037 1 91 LEU HA 1 123 LEU HB3 5.500 . 6.050 4.332 3.706 4.710 . 0 0 "[ . 1 . 2]" 1
1038 1 92 TYR HD1 1 123 LEU HB2 5.200 . 5.720 5.227 4.954 5.776 0.056 4 0 "[ . 1 . 2]" 1
1039 1 92 TYR HD1 1 123 LEU HB3 5.600 . 6.160 4.864 4.479 5.615 . 0 0 "[ . 1 . 2]" 1
1040 1 123 LEU HB3 1 150 TYR QD 5.710 . 6.280 3.033 2.651 4.319 . 0 0 "[ . 1 . 2]" 1
1041 1 123 LEU HB2 1 150 TYR QD 5.500 . 6.050 1.973 1.735 3.133 0.065 3 0 "[ . 1 . 2]" 1
1042 1 123 LEU HB2 1 150 TYR HB2 5.000 . 5.500 2.261 1.936 2.838 . 0 0 "[ . 1 . 2]" 1
1043 1 123 LEU HB3 1 150 TYR HB2 5.300 . 5.830 3.768 3.469 4.215 . 0 0 "[ . 1 . 2]" 1
1044 1 123 LEU HB2 1 125 VAL MG2 4.540 . 4.990 3.599 3.037 4.068 . 0 0 "[ . 1 . 2]" 1
1045 1 123 LEU HB3 1 125 VAL MG2 5.000 . 5.500 3.115 2.688 3.579 . 0 0 "[ . 1 . 2]" 1
1046 1 123 LEU HB2 1 145 LEU MD1 5.300 . 5.830 4.328 3.467 4.780 . 0 0 "[ . 1 . 2]" 1
1047 1 123 LEU HB3 1 145 LEU MD1 5.150 . 5.670 3.924 3.125 4.507 . 0 0 "[ . 1 . 2]" 1
1048 1 120 ILE HB 1 123 LEU MD2 5.000 . 5.500 3.721 3.190 4.652 . 0 0 "[ . 1 . 2]" 1
1049 1 120 ILE HG13 1 123 LEU MD2 5.000 . 5.500 3.644 2.785 5.049 . 0 0 "[ . 1 . 2]" 1
1050 1 120 ILE MD 1 123 LEU MD2 5.000 . 5.500 3.458 1.870 4.578 . 0 0 "[ . 1 . 2]" 1
1051 1 91 LEU HB3 1 123 LEU MD2 5.000 . 5.500 3.675 3.209 4.999 . 0 0 "[ . 1 . 2]" 1
1052 1 91 LEU MD1 1 123 LEU MD2 5.500 . 6.050 3.179 2.822 3.813 . 0 0 "[ . 1 . 2]" 1
1053 1 91 LEU HA 1 123 LEU MD2 4.200 . 4.620 2.278 1.722 3.698 0.078 9 0 "[ . 1 . 2]" 1
1054 1 90 ARG H 1 123 LEU MD2 5.300 . 5.830 4.314 3.745 5.109 . 0 0 "[ . 1 . 2]" 1
1055 1 123 LEU MD1 1 145 LEU HB3 4.620 . 5.080 3.748 2.763 5.153 0.073 5 0 "[ . 1 . 2]" 1
1056 1 123 LEU MD1 1 145 LEU MD1 4.800 . 5.280 2.388 1.805 3.723 . 0 0 "[ . 1 . 2]" 1
1057 1 123 LEU MD1 1 150 TYR QD 5.800 . 6.380 2.801 2.078 4.012 . 0 0 "[ . 1 . 2]" 1
1058 1 123 LEU MD1 1 156 TRP HB3 6.000 . 6.600 4.978 3.661 5.982 . 0 0 "[ . 1 . 2]" 1
1059 1 123 LEU MD2 1 166 LEU MD1 6.000 . 6.600 3.467 2.898 4.404 . 0 0 "[ . 1 . 2]" 1
1060 1 122 SER HA 1 123 LEU H 2.420 . 2.660 2.324 2.249 2.450 . 0 0 "[ . 1 . 2]" 1
1061 1 122 SER HB2 1 123 LEU H 4.000 . 4.400 2.739 2.439 3.013 . 0 0 "[ . 1 . 2]" 1
1062 1 122 SER H 1 123 LEU H 5.560 . 6.120 4.364 4.277 4.436 . 0 0 "[ . 1 . 2]" 1
1063 1 123 LEU HA 1 123 LEU MD2 3.950 . 4.350 2.578 2.060 3.665 . 0 0 "[ . 1 . 2]" 1
1064 1 123 LEU HA 1 123 LEU HG 3.900 . 4.290 2.876 2.529 3.073 . 0 0 "[ . 1 . 2]" 1
1065 1 123 LEU H 1 123 LEU HG 4.610 . 5.070 3.525 3.208 3.943 . 0 0 "[ . 1 . 2]" 1
1066 1 123 LEU HB3 1 124 HIS H 4.170 . 4.590 2.742 2.247 3.856 . 0 0 "[ . 1 . 2]" 1
1067 1 123 LEU H 1 150 TYR HB3 4.560 . 5.020 3.023 2.739 3.309 . 0 0 "[ . 1 . 2]" 1
1068 1 90 ARG HB2 1 124 HIS H 4.000 . 4.400 3.329 2.749 3.791 . 0 0 "[ . 1 . 2]" 1
1069 1 91 LEU HA 1 124 HIS H 5.000 . 5.500 4.191 3.846 4.446 . 0 0 "[ . 1 . 2]" 1
1070 1 123 LEU MD2 1 124 HIS H 5.860 . 6.450 3.629 3.148 4.370 . 0 0 "[ . 1 . 2]" 1
1071 1 123 LEU HA 1 124 HIS H 2.300 . 2.530 2.347 2.238 2.475 . 0 0 "[ . 1 . 2]" 1
1072 1 124 HIS H 1 150 TYR H 5.000 . 5.500 4.664 4.392 4.978 . 0 0 "[ . 1 . 2]" 1
1073 1 124 HIS HA 1 125 VAL HB 6.000 . 6.600 4.817 4.715 4.923 . 0 0 "[ . 1 . 2]" 1
1074 1 124 HIS HA 1 125 VAL H 2.300 . 2.530 2.222 2.131 2.277 . 0 0 "[ . 1 . 2]" 1
1075 1 124 HIS HB3 1 125 VAL H 5.140 . 5.650 4.484 4.403 4.554 . 0 0 "[ . 1 . 2]" 1
1076 1 124 HIS HB2 1 125 VAL H 4.920 . 5.410 4.574 4.400 4.645 . 0 0 "[ . 1 . 2]" 1
1077 1 124 HIS H 1 125 VAL H 5.000 . 5.500 3.701 3.452 4.086 . 0 0 "[ . 1 . 2]" 1
1078 1 125 VAL HA 1 126 LEU MD2 5.400 . 5.940 5.802 5.626 5.891 . 0 0 "[ . 1 . 2]" 1
1079 1 125 VAL HA 1 126 LEU MD1 4.730 . 5.200 3.267 3.055 3.555 . 0 0 "[ . 1 . 2]" 1
1080 1 125 VAL H 1 148 GLN H 3.300 . 3.630 3.226 2.949 3.516 . 0 0 "[ . 1 . 2]" 1
1081 1 125 VAL H 1 149 GLU HA 3.500 . 3.850 3.360 2.901 3.744 . 0 0 "[ . 1 . 2]" 1
1082 1 88 ARG HD3 1 126 LEU MD1 6.530 . 7.180 3.400 2.653 4.207 . 0 0 "[ . 1 . 2]" 1
1083 1 88 ARG HD3 1 126 LEU MD2 5.150 . 5.670 2.432 1.775 4.876 0.025 11 0 "[ . 1 . 2]" 1
1084 1 88 ARG HG3 1 126 LEU MD2 4.450 . 4.890 3.876 2.469 4.487 . 0 0 "[ . 1 . 2]" 1
1085 1 89 LEU HA 1 126 LEU H 3.740 . 4.110 2.935 2.705 3.292 . 0 0 "[ . 1 . 2]" 1
1086 1 90 ARG HG3 1 126 LEU MD1 4.870 . 5.360 2.034 1.737 2.311 0.063 9 0 "[ . 1 . 2]" 1
1087 1 90 ARG HB3 1 126 LEU MD1 4.940 . 5.430 4.307 3.987 4.616 . 0 0 "[ . 1 . 2]" 1
1088 1 90 ARG HB3 1 126 LEU MD2 6.000 . 6.600 5.984 5.540 6.449 . 0 0 "[ . 1 . 2]" 1
1089 1 125 VAL HB 1 126 LEU MD1 6.000 . 6.600 5.386 5.226 5.495 . 0 0 "[ . 1 . 2]" 1
1090 1 125 VAL MG2 1 126 LEU MD1 5.730 . 6.300 4.902 4.745 5.012 . 0 0 "[ . 1 . 2]" 1
1091 1 125 VAL HA 1 126 LEU H 2.200 . 2.420 2.219 2.169 2.252 . 0 0 "[ . 1 . 2]" 1
1092 1 126 LEU H 1 126 LEU HG 3.850 . 4.230 3.483 3.199 4.013 . 0 0 "[ . 1 . 2]" 1
1093 1 126 LEU H 1 127 GLU H 3.850 . 4.230 2.572 2.409 2.750 . 0 0 "[ . 1 . 2]" 1
1094 1 126 LEU H 1 148 GLN H 5.330 . 5.860 5.384 5.294 5.443 . 0 0 "[ . 1 . 2]" 1
1095 1 126 LEU HA 1 148 GLN H 4.700 . 5.170 5.133 4.866 5.252 0.082 10 0 "[ . 1 . 2]" 1
1096 1 88 ARG HD3 1 127 GLU H 5.300 . 5.830 5.266 4.199 6.011 0.181 19 0 "[ . 1 . 2]" 1
1097 1 125 VAL MG1 1 127 GLU H 5.000 . 5.500 2.861 2.462 3.383 . 0 0 "[ . 1 . 2]" 1
1098 1 126 LEU MD2 1 127 GLU HG3 5.780 . 6.360 5.862 5.215 6.553 0.193 10 0 "[ . 1 . 2]" 1
1099 1 126 LEU HB3 1 127 GLU H 3.840 . 4.220 3.547 3.183 3.814 . 0 0 "[ . 1 . 2]" 1
1100 1 126 LEU MD1 1 127 GLU H 6.080 . 6.690 3.818 3.626 4.103 . 0 0 "[ . 1 . 2]" 1
1101 1 126 LEU HB2 1 127 GLU H 3.710 . 4.080 2.587 2.203 2.861 . 0 0 "[ . 1 . 2]" 1
1102 1 126 LEU MD2 1 127 GLU H 5.980 . 6.580 4.758 4.414 5.033 . 0 0 "[ . 1 . 2]" 1
1103 1 126 LEU HA 1 127 GLU H 3.960 . 4.360 3.520 3.480 3.563 . 0 0 "[ . 1 . 2]" 1
1104 1 126 LEU HG 1 127 GLU H 4.900 . 5.390 4.950 4.795 5.139 . 0 0 "[ . 1 . 2]" 1
1105 1 127 GLU H 1 127 GLU HG3 5.000 . 5.500 3.899 3.198 5.214 . 0 0 "[ . 1 . 2]" 1
1106 1 127 GLU H 1 127 GLU HB3 3.780 . 4.160 3.495 3.293 3.815 . 0 0 "[ . 1 . 2]" 1
1107 1 127 GLU H 1 128 GLY H 5.000 . 5.500 4.289 4.182 4.418 . 0 0 "[ . 1 . 2]" 1
1108 1 87 HIS HA 1 128 GLY H 4.500 . 4.950 4.361 3.949 4.774 . 0 0 "[ . 1 . 2]" 1
1109 1 88 ARG H 1 128 GLY HA2 5.210 . 5.730 5.344 4.769 5.730 . 0 0 "[ . 1 . 2]" 1
1110 1 125 VAL MG1 1 128 GLY H 5.700 . 6.050 4.067 3.769 4.364 . 0 0 "[ . 1 . 2]" 1
1111 1 127 GLU HB3 1 128 GLY H 3.900 . 4.290 3.751 2.752 4.105 . 0 0 "[ . 1 . 2]" 1
1112 1 127 GLU HA 1 128 GLY H 2.500 . 2.750 2.266 2.199 2.392 . 0 0 "[ . 1 . 2]" 1
1113 1 127 GLU HB2 1 128 GLY H 4.000 . 4.400 3.156 2.473 4.310 . 0 0 "[ . 1 . 2]" 1
1114 1 127 GLU HG3 1 128 GLY H 4.900 . 5.390 4.281 3.652 5.067 . 0 0 "[ . 1 . 2]" 1
1115 1 127 GLU HG2 1 128 GLY H 4.500 . 4.950 4.627 3.719 4.993 0.043 13 0 "[ . 1 . 2]" 1
1116 1 128 GLY H 1 147 PRO HG3 4.400 . 4.840 3.196 2.207 3.941 . 0 0 "[ . 1 . 2]" 1
1117 1 128 GLY H 1 147 PRO HB3 3.740 . 4.110 3.087 2.376 3.883 . 0 0 "[ . 1 . 2]" 1
1118 1 128 GLY HA2 1 129 CYS H 3.950 . 4.350 2.286 2.157 2.536 . 0 0 "[ . 1 . 2]" 1
1119 1 128 GLY H 1 129 CYS H 4.710 . 5.180 4.093 3.699 4.518 . 0 0 "[ . 1 . 2]" 1
1120 1 128 GLY HA3 1 129 CYS H 3.920 . 4.310 2.990 2.558 3.336 . 0 0 "[ . 1 . 2]" 1
1121 1 129 CYS H 1 129 CYS HB3 4.180 . 4.600 3.650 3.566 3.773 . 0 0 "[ . 1 . 2]" 1
1122 1 84 THR MG 1 129 CYS H 4.000 . 4.400 2.169 1.769 2.985 0.031 16 0 "[ . 1 . 2]" 1
1123 1 129 CYS H 1 169 VAL MG1 5.000 . 5.500 5.038 4.496 5.354 . 0 0 "[ . 1 . 2]" 1
1124 1 87 HIS HB2 1 130 TRP HE1 5.000 . 5.500 4.083 3.660 4.619 . 0 0 "[ . 1 . 2]" 1
1125 1 87 HIS HB3 1 130 TRP HE1 4.600 . 5.060 2.573 2.284 3.120 . 0 0 "[ . 1 . 2]" 1
1126 1 87 HIS HA 1 130 TRP HE1 4.750 . 5.220 3.084 2.620 3.516 . 0 0 "[ . 1 . 2]" 1
1127 1 87 HIS HD2 1 130 TRP HE1 5.100 . 5.610 3.992 3.390 4.634 . 0 0 "[ . 1 . 2]" 1
1128 1 88 ARG H 1 130 TRP HE1 4.500 . 4.950 2.345 1.983 3.008 . 0 0 "[ . 1 . 2]" 1
1129 1 88 ARG HA 1 130 TRP HE1 5.000 . 5.500 3.677 3.321 4.178 . 0 0 "[ . 1 . 2]" 1
1130 1 89 LEU HA 1 130 TRP HE1 5.000 . 5.500 4.346 3.950 4.728 . 0 0 "[ . 1 . 2]" 1
1131 1 89 LEU H 1 130 TRP HE1 5.000 . 5.500 3.988 3.012 4.614 . 0 0 "[ . 1 . 2]" 1
1132 1 128 GLY H 1 130 TRP HE1 6.000 . 6.600 6.002 5.167 6.536 . 0 0 "[ . 1 . 2]" 1
1133 1 125 VAL MG1 1 130 TRP H 5.200 . 5.720 3.220 2.896 3.492 . 0 0 "[ . 1 . 2]" 1
1134 1 125 VAL MG1 1 130 TRP HE1 4.400 . 4.840 2.983 2.680 3.368 . 0 0 "[ . 1 . 2]" 1
1135 1 128 GLY HA2 1 130 TRP HE1 6.020 . 6.620 5.758 4.548 6.411 . 0 0 "[ . 1 . 2]" 1
1136 1 128 GLY HA3 1 130 TRP HE1 5.170 . 5.690 4.225 2.798 5.078 . 0 0 "[ . 1 . 2]" 1
1137 1 89 LEU HG 1 130 TRP HE1 5.710 . 6.280 5.962 5.630 6.324 0.044 10 0 "[ . 1 . 2]" 1
1138 1 129 CYS HB2 1 130 TRP H 4.440 . 4.880 4.138 3.955 4.418 . 0 0 "[ . 1 . 2]" 1
1139 1 129 CYS HB3 1 130 TRP H 4.110 . 4.520 3.267 2.976 3.822 . 0 0 "[ . 1 . 2]" 1
1140 1 129 CYS HA 1 130 TRP H 2.200 . 2.420 2.162 2.111 2.218 . 0 0 "[ . 1 . 2]" 1
1141 1 129 CYS H 1 130 TRP H 5.000 . 5.500 4.460 4.187 4.611 . 0 0 "[ . 1 . 2]" 1
1142 1 130 TRP HB2 1 130 TRP HE1 5.130 . 5.640 4.861 4.830 4.895 . 0 0 "[ . 1 . 2]" 1
1143 1 130 TRP H 1 130 TRP HB2 3.890 . 4.280 2.516 2.408 2.638 . 0 0 "[ . 1 . 2]" 1
1144 1 130 TRP H 1 130 TRP HD1 4.300 . 4.730 2.736 2.526 3.017 . 0 0 "[ . 1 . 2]" 1
1145 1 130 TRP HA 1 131 VAL MG1 5.600 . 6.160 5.619 5.548 5.663 . 0 0 "[ . 1 . 2]" 1
1146 1 130 TRP H 1 131 VAL H 5.130 . 5.640 4.461 4.415 4.516 . 0 0 "[ . 1 . 2]" 1
1147 1 130 TRP HA 1 131 VAL H 2.600 . 2.860 2.492 2.405 2.544 . 0 0 "[ . 1 . 2]" 1
1148 1 130 TRP H 1 145 LEU H 3.300 . 3.630 3.566 3.104 3.758 0.128 15 0 "[ . 1 . 2]" 1
1149 1 130 TRP H 1 145 LEU MD1 6.140 . 6.750 4.282 4.078 4.547 . 0 0 "[ . 1 . 2]" 1
1150 1 130 TRP H 1 145 LEU HB3 4.700 . 5.170 3.924 3.710 4.203 . 0 0 "[ . 1 . 2]" 1
1151 1 130 TRP HA 1 168 ARG HA 2.800 . 3.080 2.448 2.083 2.669 . 0 0 "[ . 1 . 2]" 1
1152 1 130 TRP H 1 169 VAL MG2 5.000 . 5.500 3.805 3.347 4.118 . 0 0 "[ . 1 . 2]" 1
1153 1 130 TRP H 1 169 VAL MG1 6.000 . 6.600 6.092 5.527 6.381 . 0 0 "[ . 1 . 2]" 1
1154 1 130 TRP HA 1 169 VAL MG2 3.500 . 3.850 2.837 2.514 3.210 . 0 0 "[ . 1 . 2]" 1
1155 1 130 TRP HA 1 169 VAL H 4.900 . 5.390 2.692 2.322 2.926 . 0 0 "[ . 1 . 2]" 1
1156 1 56 LEU H 1 131 VAL MG1 5.380 . 5.920 4.106 3.327 4.800 . 0 0 "[ . 1 . 2]" 1
1157 1 130 TRP HB3 1 131 VAL H 3.950 . 4.350 2.224 2.075 2.393 . 0 0 "[ . 1 . 2]" 1
1158 1 130 TRP HB2 1 131 VAL H 4.290 . 4.720 3.475 3.382 3.634 . 0 0 "[ . 1 . 2]" 1
1159 1 131 VAL H 1 131 VAL HB 3.800 . 4.180 2.885 2.801 2.956 . 0 0 "[ . 1 . 2]" 1
1160 1 131 VAL MG1 1 132 LEU HB2 6.000 . 6.600 4.970 4.765 5.215 . 0 0 "[ . 1 . 2]" 1
1161 1 131 VAL H 1 132 LEU HB3 6.780 . 7.460 6.269 5.993 6.448 . 0 0 "[ . 1 . 2]" 1
1162 1 131 VAL H 1 144 LEU MD2 6.000 . 6.600 4.954 4.763 5.199 . 0 0 "[ . 1 . 2]" 1
1163 1 131 VAL MG1 1 142 GLN HB3 5.040 . 5.540 2.199 2.061 2.467 . 0 0 "[ . 1 . 2]" 1
1164 1 131 VAL MG1 1 143 TYR HA 5.700 . 6.270 4.265 3.944 4.730 . 0 0 "[ . 1 . 2]" 1
1165 1 131 VAL MG1 1 143 TYR HB3 5.790 . 6.370 5.143 4.920 5.701 . 0 0 "[ . 1 . 2]" 1
1166 1 131 VAL MG1 1 144 LEU MD1 5.510 . 6.060 5.650 4.812 5.946 . 0 0 "[ . 1 . 2]" 1
1167 1 131 VAL MG2 1 145 LEU H 6.000 . 6.600 3.543 2.972 4.036 . 0 0 "[ . 1 . 2]" 1
1168 1 131 VAL H 1 166 LEU HA 5.090 . 5.600 4.322 4.007 4.699 . 0 0 "[ . 1 . 2]" 1
1169 1 131 VAL MG1 1 167 ARG HB3 5.400 . 5.940 3.967 3.493 4.537 . 0 0 "[ . 1 . 2]" 1
1170 1 131 VAL MG1 1 167 ARG HD2 6.710 . 7.380 5.251 4.113 6.752 . 0 0 "[ . 1 . 2]" 1
1171 1 131 VAL MG1 1 167 ARG HG3 6.500 . 7.150 6.230 5.347 6.781 . 0 0 "[ . 1 . 2]" 1
1172 1 131 VAL MG1 1 167 ARG H 4.850 . 5.330 4.347 4.004 4.637 . 0 0 "[ . 1 . 2]" 1
1173 1 131 VAL H 1 168 ARG H 5.060 . 5.570 5.064 4.878 5.194 . 0 0 "[ . 1 . 2]" 1
1174 1 131 VAL H 1 168 ARG HA 3.750 . 4.130 3.941 3.552 4.151 0.021 19 0 "[ . 1 . 2]" 1
1175 1 131 VAL MG1 1 169 VAL MG2 5.970 . 6.570 4.253 4.154 4.363 . 0 0 "[ . 1 . 2]" 1
1176 1 131 VAL H 1 169 VAL MG2 4.750 . 5.220 3.836 3.553 4.187 . 0 0 "[ . 1 . 2]" 1
1177 1 131 VAL HA 1 145 LEU MD2 4.000 . 4.400 4.192 3.954 4.493 0.093 5 0 "[ . 1 . 2]" 1
1178 1 131 VAL HA 1 131 VAL MG1 2.900 . 3.190 2.491 2.427 2.570 . 0 0 "[ . 1 . 2]" 1
1179 1 131 VAL HA 1 131 VAL MG2 2.900 . 3.190 2.470 2.413 2.540 . 0 0 "[ . 1 . 2]" 1
1180 1 131 VAL HA 1 169 VAL MG2 5.500 . 5.500 4.338 4.108 4.645 . 0 0 "[ . 1 . 2]" 1
1181 1 131 VAL HA 1 144 LEU HB2 5.500 . 6.050 5.083 4.482 5.313 . 0 0 "[ . 1 . 2]" 1
1182 1 120 ILE HB 1 132 LEU MD2 5.000 . 5.500 4.409 3.263 5.520 0.020 5 0 "[ . 1 . 2]" 1
1183 1 131 VAL H 1 132 LEU H 5.000 . 5.500 3.966 3.707 4.089 . 0 0 "[ . 1 . 2]" 1
1184 1 131 VAL HB 1 132 LEU H 4.400 . 4.840 4.382 4.313 4.487 . 0 0 "[ . 1 . 2]" 1
1185 1 131 VAL HA 1 132 LEU H 2.500 . 2.750 2.158 2.125 2.207 . 0 0 "[ . 1 . 2]" 1
1186 1 131 VAL MG1 1 132 LEU H 4.690 . 5.160 3.080 2.888 3.354 . 0 0 "[ . 1 . 2]" 1
1187 1 131 VAL MG2 1 132 LEU H 5.180 . 5.700 4.204 4.065 4.339 . 0 0 "[ . 1 . 2]" 1
1188 1 132 LEU H 1 143 TYR H 3.500 . 3.850 3.393 3.230 3.597 . 0 0 "[ . 1 . 2]" 1
1189 1 132 LEU H 1 145 LEU H 5.000 . 5.500 4.076 3.557 4.444 . 0 0 "[ . 1 . 2]" 1
1190 1 132 LEU H 1 144 LEU HA 3.800 . 4.180 3.987 3.510 4.187 0.007 13 0 "[ . 1 . 2]" 1
1191 1 132 LEU MD1 1 145 LEU HB2 6.700 . 7.370 6.226 5.618 6.843 . 0 0 "[ . 1 . 2]" 1
1192 1 132 LEU H 1 145 LEU HG 5.600 . 6.160 2.248 2.000 2.427 . 0 0 "[ . 1 . 2]" 1
1193 1 132 LEU HA 1 133 TYR H 2.500 . 2.750 2.257 2.203 2.303 . 0 0 "[ . 1 . 2]" 1
1194 1 132 LEU HB2 1 133 TYR H 4.370 . 4.810 4.118 3.979 4.293 . 0 0 "[ . 1 . 2]" 1
1195 1 132 LEU MD2 1 133 TYR H 4.870 . 5.360 3.127 1.881 4.218 . 0 0 "[ . 1 . 2]" 1
1196 1 133 TYR H 1 134 GLU H 5.100 . 5.610 4.346 4.295 4.400 . 0 0 "[ . 1 . 2]" 1
1197 1 133 TYR HA 1 134 GLU H 2.200 . 2.420 2.173 2.144 2.212 . 0 0 "[ . 1 . 2]" 1
1198 1 133 TYR HA 1 135 LEU H 4.600 . 5.060 4.489 4.320 4.695 . 0 0 "[ . 1 . 2]" 1
1199 1 133 TYR HB3 1 140 GLY H 5.820 . 6.400 5.354 4.969 5.859 . 0 0 "[ . 1 . 2]" 1
1200 1 133 TYR H 1 165 SER H 3.400 . 3.740 2.890 2.678 3.232 . 0 0 "[ . 1 . 2]" 1
1201 1 133 TYR H 1 166 LEU MD2 4.500 . 4.950 3.654 2.913 4.790 . 0 0 "[ . 1 . 2]" 1
1202 1 133 TYR HB3 1 134 GLU H 4.750 . 5.220 3.059 2.912 3.245 . 0 0 "[ . 1 . 2]" 1
1203 1 133 TYR HB2 1 134 GLU H 5.000 . 5.500 4.086 3.932 4.202 . 0 0 "[ . 1 . 2]" 1
1204 1 134 GLU H 1 134 GLU HB3 3.900 . 4.290 2.420 2.291 2.484 . 0 0 "[ . 1 . 2]" 1
1205 1 134 GLU H 1 135 LEU H 4.640 . 5.100 2.860 2.762 2.983 . 0 0 "[ . 1 . 2]" 1
1206 1 134 GLU H 1 141 ARG H 3.300 . 3.630 3.527 3.236 3.683 0.053 14 0 "[ . 1 . 2]" 1
1207 1 134 GLU H 1 141 ARG HA 4.800 . 5.280 4.818 4.622 4.954 . 0 0 "[ . 1 . 2]" 1
1208 1 134 GLU H 1 142 GLN HA 3.740 . 4.110 3.663 3.191 4.076 . 0 0 "[ . 1 . 2]" 1
1209 1 134 GLU H 1 141 ARG HB3 5.200 . 5.720 5.131 4.738 5.496 . 0 0 "[ . 1 . 2]" 1
1210 1 134 GLU HB2 1 141 ARG HA 4.700 . 5.170 4.649 4.428 4.948 . 0 0 "[ . 1 . 2]" 1
1211 1 134 GLU HB3 1 135 LEU H 3.640 . 4.000 2.293 2.174 2.391 . 0 0 "[ . 1 . 2]" 1
1212 1 134 GLU HA 1 135 LEU H 3.600 . 3.960 3.587 3.563 3.615 . 0 0 "[ . 1 . 2]" 1
1213 1 135 LEU HA 1 136 PRO HG3 5.500 . 6.050 4.410 4.198 4.687 . 0 0 "[ . 1 . 2]" 1
1214 1 135 LEU HA 1 136 PRO HA 5.500 . 6.050 4.582 4.545 4.612 . 0 0 "[ . 1 . 2]" 1
1215 1 135 LEU H 1 140 GLY HA2 4.390 . 4.830 4.069 3.770 4.412 . 0 0 "[ . 1 . 2]" 1
1216 1 135 LEU H 1 141 ARG H 3.900 . 4.290 3.984 3.763 4.184 . 0 0 "[ . 1 . 2]" 1
1217 1 135 LEU H 1 162 LYS HG2 5.200 . 5.720 5.393 5.091 5.814 0.094 10 0 "[ . 1 . 2]" 1
1218 1 135 LEU H 1 162 LYS HG3 5.200 . 5.720 5.147 4.860 5.517 . 0 0 "[ . 1 . 2]" 1
1219 1 110 SER HB3 1 137 ASN H 4.800 . 5.280 3.759 2.811 4.857 . 0 0 "[ . 1 . 2]" 1
1220 1 136 PRO HG3 1 137 ASN H 4.900 . 5.390 4.794 4.634 5.029 . 0 0 "[ . 1 . 2]" 1
1221 1 136 PRO HA 1 137 ASN H 3.790 . 4.170 2.505 2.363 2.598 . 0 0 "[ . 1 . 2]" 1
1222 1 136 PRO HB2 1 137 ASN H 4.460 . 4.910 2.791 2.265 3.262 . 0 0 "[ . 1 . 2]" 1
1223 1 136 PRO HB3 1 137 ASN H 4.380 . 4.820 2.937 2.613 3.349 . 0 0 "[ . 1 . 2]" 1
1224 1 137 ASN H 1 137 ASN HB2 4.200 . 4.620 3.122 3.039 3.167 . 0 0 "[ . 1 . 2]" 1
1225 1 137 ASN HA 1 137 ASN HB2 3.000 . 3.300 2.545 2.507 2.584 . 0 0 "[ . 1 . 2]" 1
1226 1 137 ASN HB2 1 139 ARG HD3 4.900 . 5.390 4.580 3.676 5.506 0.116 6 0 "[ . 1 . 2]" 1
1227 1 133 TYR HB3 1 138 TYR H 4.600 . 4.950 4.503 4.152 4.715 . 0 0 "[ . 1 . 2]" 1
1228 1 137 ASN HB2 1 138 TYR H 4.500 . 4.950 4.562 4.511 4.602 . 0 0 "[ . 1 . 2]" 1
1229 1 137 ASN HB3 1 138 TYR H 4.440 . 4.880 4.111 4.032 4.252 . 0 0 "[ . 1 . 2]" 1
1230 1 137 ASN HA 1 138 TYR H 3.500 . 3.850 2.975 2.855 3.053 . 0 0 "[ . 1 . 2]" 1
1231 1 137 ASN H 1 138 TYR H 4.660 . 5.130 2.624 2.585 2.746 . 0 0 "[ . 1 . 2]" 1
1232 1 138 TYR H 1 138 TYR HA 3.000 . 3.300 2.249 2.238 2.266 . 0 0 "[ . 1 . 2]" 1
1233 1 138 TYR H 1 138 TYR HB3 4.200 . 4.620 4.059 4.014 4.095 . 0 0 "[ . 1 . 2]" 1
1234 1 138 TYR H 1 165 SER HB2 4.000 . 4.400 3.216 2.938 3.473 . 0 0 "[ . 1 . 2]" 1
1235 1 138 TYR H 1 165 SER HB3 4.050 . 4.460 2.973 2.770 3.164 . 0 0 "[ . 1 . 2]" 1
1236 1 138 TYR H 1 138 TYR QD 5.000 . 5.500 3.531 2.922 3.644 . 0 0 "[ . 1 . 2]" 1
1237 1 110 SER HA 1 138 TYR H 6.100 . 6.710 5.139 4.694 5.581 . 0 0 "[ . 1 . 2]" 1
1238 1 133 TYR HB2 1 138 TYR H 4.500 . 4.950 4.206 3.861 4.414 . 0 0 "[ . 1 . 2]" 1
1239 1 133 TYR HB2 1 139 ARG H 4.460 . 4.910 4.001 3.502 4.666 . 0 0 "[ . 1 . 2]" 1
1240 1 133 TYR HB3 1 139 ARG H 4.210 . 4.630 3.173 2.980 3.563 . 0 0 "[ . 1 . 2]" 1
1241 1 135 LEU H 1 139 ARG H 5.120 . 5.630 4.170 3.979 4.412 . 0 0 "[ . 1 . 2]" 1
1242 1 135 LEU HA 1 139 ARG H 5.200 . 5.720 5.233 5.052 5.405 . 0 0 "[ . 1 . 2]" 1
1243 1 137 ASN HB2 1 139 ARG H 5.000 . 5.500 5.485 5.080 5.587 0.087 5 0 "[ . 1 . 2]" 1
1244 1 138 TYR HB3 1 139 ARG H 4.500 . 4.950 4.510 4.463 4.572 . 0 0 "[ . 1 . 2]" 1
1245 1 138 TYR HA 1 139 ARG H 4.020 . 4.420 2.709 2.598 2.859 . 0 0 "[ . 1 . 2]" 1
1246 1 138 TYR HB2 1 139 ARG H 4.460 . 4.910 4.376 4.196 4.471 . 0 0 "[ . 1 . 2]" 1
1247 1 138 TYR H 1 139 ARG H 3.500 . 3.850 2.759 2.565 2.856 . 0 0 "[ . 1 . 2]" 1
1248 1 139 ARG H 1 139 ARG HG3 4.200 . 4.620 3.123 2.630 4.452 . 0 0 "[ . 1 . 2]" 1
1249 1 139 ARG H 1 139 ARG HB3 4.170 . 4.590 3.753 3.568 3.867 . 0 0 "[ . 1 . 2]" 1
1250 1 139 ARG H 1 140 GLY H 4.960 . 5.460 4.492 4.450 4.538 . 0 0 "[ . 1 . 2]" 1
1251 1 139 ARG H 1 140 GLY HA2 5.800 . 6.380 6.011 5.929 6.097 . 0 0 "[ . 1 . 2]" 1
1252 1 139 ARG H 1 140 GLY HA3 4.810 . 5.290 5.099 5.008 5.207 . 0 0 "[ . 1 . 2]" 1
1253 1 71 LEU MD1 1 140 GLY H 5.000 . 5.500 4.118 3.165 4.747 . 0 0 "[ . 1 . 2]" 1
1254 1 134 GLU HB3 1 140 GLY H 4.650 . 5.120 4.989 4.779 5.212 0.092 17 0 "[ . 1 . 2]" 1
1255 1 135 LEU H 1 140 GLY H 4.500 . 4.950 4.470 4.286 4.671 . 0 0 "[ . 1 . 2]" 1
1256 1 135 LEU HB2 1 140 GLY H 4.500 . 4.950 3.709 3.462 4.345 . 0 0 "[ . 1 . 2]" 1
1257 1 139 ARG HG3 1 140 GLY H 4.310 . 4.740 4.650 3.357 4.890 0.150 16 0 "[ . 1 . 2]" 1
1258 1 139 ARG HB3 1 140 GLY H 3.810 . 4.190 2.298 2.053 2.484 . 0 0 "[ . 1 . 2]" 1
1259 1 139 ARG HA 1 140 GLY H 3.740 . 4.110 2.459 2.328 2.554 . 0 0 "[ . 1 . 2]" 1
1260 1 140 GLY HA3 1 141 ARG HG3 4.750 . 5.220 4.486 4.242 4.759 . 0 0 "[ . 1 . 2]" 1
1261 1 140 GLY HA2 1 141 ARG H 2.630 . 2.890 2.802 2.648 2.943 0.053 8 0 "[ . 1 . 2]" 1
1262 1 140 GLY HA3 1 141 ARG H 2.520 . 2.770 2.331 2.207 2.445 . 0 0 "[ . 1 . 2]" 1
1263 1 140 GLY HA2 1 141 ARG HB3 6.000 . 6.600 6.118 5.990 6.266 . 0 0 "[ . 1 . 2]" 1
1264 1 141 ARG H 1 141 ARG HB2 3.650 . 4.020 2.453 2.303 2.601 . 0 0 "[ . 1 . 2]" 1
1265 1 141 ARG H 1 141 ARG HG3 3.830 . 4.210 2.416 2.182 2.921 . 0 0 "[ . 1 . 2]" 1
1266 1 141 ARG H 1 141 ARG HD3 4.620 . 5.080 4.512 3.280 4.980 . 0 0 "[ . 1 . 2]" 1
1267 1 71 LEU MD1 1 142 GLN H 4.500 . 4.950 4.568 3.941 4.941 . 0 0 "[ . 1 . 2]" 1
1268 1 71 LEU MD2 1 142 GLN H 5.400 . 5.940 5.100 4.602 6.077 0.137 2 0 "[ . 1 . 2]" 1
1269 1 141 ARG HB3 1 142 GLN H 4.000 . 4.400 3.160 2.486 3.568 . 0 0 "[ . 1 . 2]" 1
1270 1 141 ARG HA 1 142 GLN H 2.400 . 2.640 2.215 2.161 2.381 . 0 0 "[ . 1 . 2]" 1
1271 1 141 ARG HB2 1 142 GLN H 4.000 . 4.400 4.127 3.596 4.385 . 0 0 "[ . 1 . 2]" 1
1272 1 141 ARG HG3 1 142 GLN H 4.720 . 5.190 5.002 4.529 5.165 . 0 0 "[ . 1 . 2]" 1
1273 1 142 GLN H 1 142 GLN HG2 4.300 . 4.730 3.478 2.220 4.342 . 0 0 "[ . 1 . 2]" 1
1274 1 142 GLN H 1 143 TYR QD 4.930 . 5.420 5.361 4.939 5.541 0.121 16 0 "[ . 1 . 2]" 1
1275 1 131 VAL MG1 1 143 TYR H 4.750 . 5.220 2.281 2.052 2.823 . 0 0 "[ . 1 . 2]" 1
1276 1 131 VAL MG2 1 143 TYR H 4.850 . 5.330 4.441 4.091 4.893 . 0 0 "[ . 1 . 2]" 1
1277 1 132 LEU MD2 1 143 TYR HB3 5.200 . 5.720 3.790 3.081 4.420 . 0 0 "[ . 1 . 2]" 1
1278 1 143 TYR HB3 1 145 LEU MD2 3.800 . 4.180 3.183 2.993 3.706 . 0 0 "[ . 1 . 2]" 1
1279 1 143 TYR HB3 1 158 ALA MB 6.200 . 6.820 3.957 3.543 4.498 . 0 0 "[ . 1 . 2]" 1
1280 1 132 LEU HG 1 143 TYR HB3 5.700 . 6.270 5.494 4.660 6.270 . 0 0 "[ . 1 . 2]" 1
1281 1 132 LEU MD2 1 143 TYR H 5.870 . 6.460 4.772 4.175 5.458 . 0 0 "[ . 1 . 2]" 1
1282 1 142 GLN HB3 1 143 TYR H 4.330 . 4.760 2.576 2.366 2.915 . 0 0 "[ . 1 . 2]" 1
1283 1 142 GLN HG3 1 143 TYR H 4.920 . 5.410 4.660 3.794 5.318 . 0 0 "[ . 1 . 2]" 1
1284 1 142 GLN HB2 1 143 TYR H 4.170 . 4.590 3.562 3.222 3.820 . 0 0 "[ . 1 . 2]" 1
1285 1 142 GLN HA 1 143 TYR H 2.400 . 2.640 2.412 2.289 2.549 . 0 0 "[ . 1 . 2]" 1
1286 1 54 GLN HE22 1 144 LEU HA 6.000 . 6.600 6.179 5.742 6.687 0.087 20 0 "[ . 1 . 2]" 1
1287 1 54 GLN HB3 1 144 LEU H 4.960 . 5.460 3.833 3.311 4.198 . 0 0 "[ . 1 . 2]" 1
1288 1 54 GLN HE22 1 144 LEU H 4.710 . 5.180 3.441 2.973 3.950 . 0 0 "[ . 1 . 2]" 1
1289 1 131 VAL MG1 1 144 LEU HA 5.220 . 5.740 3.363 2.937 3.730 . 0 0 "[ . 1 . 2]" 1
1290 1 143 TYR HB3 1 144 LEU H 4.830 . 5.310 3.526 3.072 4.018 . 0 0 "[ . 1 . 2]" 1
1291 1 143 TYR HA 1 144 LEU H 2.200 . 2.420 2.223 2.167 2.277 . 0 0 "[ . 1 . 2]" 1
1292 1 144 LEU H 1 144 LEU MD1 5.400 . 5.940 4.307 4.228 4.374 . 0 0 "[ . 1 . 2]" 1
1293 1 144 LEU H 1 144 LEU MD2 5.000 . 5.500 4.191 4.095 4.373 . 0 0 "[ . 1 . 2]" 1
1294 1 144 LEU HA 1 145 LEU H 2.200 . 2.420 2.155 2.113 2.180 . 0 0 "[ . 1 . 2]" 1
1295 1 144 LEU MD2 1 169 VAL MG2 3.000 . 3.300 2.627 2.363 2.957 . 0 0 "[ . 1 . 2]" 1
1296 1 91 LEU MD1 1 145 LEU MD1 5.000 . 5.500 4.918 4.603 5.585 0.085 2 0 "[ . 1 . 2]" 1
1297 1 145 LEU MD1 1 145 LEU MD2 2.200 . 2.420 2.141 2.130 2.151 . 0 0 "[ . 1 . 2]" 1
1298 1 145 LEU MD1 1 145 LEU HG 2.200 . 2.420 2.134 2.124 2.139 . 0 0 "[ . 1 . 2]" 1
1299 1 144 LEU MD2 1 145 LEU MD1 5.240 . 5.760 5.229 4.985 5.383 . 0 0 "[ . 1 . 2]" 1
1300 1 125 VAL MG2 1 145 LEU MD1 4.950 . 5.440 3.220 2.982 3.538 . 0 0 "[ . 1 . 2]" 1
1301 1 123 LEU MD2 1 145 LEU MD1 3.300 . 3.630 2.888 1.866 3.484 . 0 0 "[ . 1 . 2]" 1
1302 1 144 LEU HA 1 145 LEU MD1 5.000 . 5.500 5.115 4.921 5.342 . 0 0 "[ . 1 . 2]" 1
1303 1 144 LEU HA 1 145 LEU HG 4.100 . 4.510 3.737 3.529 3.955 . 0 0 "[ . 1 . 2]" 1
1304 1 132 LEU MD1 1 145 LEU MD1 4.400 . 4.840 3.005 2.407 3.504 . 0 0 "[ . 1 . 2]" 1
1305 1 145 LEU MD1 1 150 TYR QD 4.600 . 5.060 4.266 3.856 4.607 . 0 0 "[ . 1 . 2]" 1
1306 1 145 LEU MD2 1 156 TRP HD1 5.000 . 5.500 3.891 3.303 4.463 . 0 0 "[ . 1 . 2]" 1
1307 1 145 LEU H 1 145 LEU MD1 4.000 . 4.400 4.019 3.822 4.176 . 0 0 "[ . 1 . 2]" 1
1308 1 125 VAL MG2 1 145 LEU MD2 5.460 . 6.010 3.627 3.229 3.880 . 0 0 "[ . 1 . 2]" 1
1309 1 132 LEU MD2 1 145 LEU MD2 5.620 . 6.180 3.713 2.873 4.413 . 0 0 "[ . 1 . 2]" 1
1310 1 144 LEU MD2 1 145 LEU H 4.740 . 5.210 2.113 1.788 2.456 0.012 8 0 "[ . 1 . 2]" 1
1311 1 145 LEU HA 1 146 ARG H 3.610 . 3.970 2.208 2.138 2.290 . 0 0 "[ . 1 . 2]" 1
1312 1 145 LEU MD2 1 156 TRP HA 5.730 . 6.300 5.202 4.224 6.155 . 0 0 "[ . 1 . 2]" 1
1313 1 125 VAL MG1 1 146 ARG H 4.700 . 5.170 4.742 4.181 5.174 0.004 12 0 "[ . 1 . 2]" 1
1314 1 125 VAL MG1 1 146 ARG HA 5.000 . 5.500 3.831 3.589 4.132 . 0 0 "[ . 1 . 2]" 1
1315 1 146 ARG H 1 146 ARG HB2 3.800 . 4.180 3.655 3.594 3.819 . 0 0 "[ . 1 . 2]" 1
1316 1 144 LEU MD2 1 146 ARG H 4.500 . 4.950 4.418 3.421 4.986 0.036 9 0 "[ . 1 . 2]" 1
1317 1 144 LEU MD2 1 146 ARG HB2 5.900 . 6.490 5.355 4.169 5.766 . 0 0 "[ . 1 . 2]" 1
1318 1 145 LEU MD2 1 146 ARG H 4.500 . 4.950 4.095 3.938 4.197 . 0 0 "[ . 1 . 2]" 1
1319 1 125 VAL HB 1 147 PRO HA 5.000 . 5.500 2.096 1.863 2.416 . 0 0 "[ . 1 . 2]" 1
1320 1 125 VAL MG1 1 147 PRO HA 4.800 . 5.280 2.237 2.056 2.385 . 0 0 "[ . 1 . 2]" 1
1321 1 125 VAL MG2 1 148 GLN H 5.000 . 5.500 3.269 3.015 3.509 . 0 0 "[ . 1 . 2]" 1
1322 1 125 VAL HB 1 148 GLN H 4.500 . 4.950 1.917 1.761 2.077 0.039 11 0 "[ . 1 . 2]" 1
1323 1 147 PRO HA 1 148 GLN H 4.000 . 4.400 2.245 2.191 2.322 . 0 0 "[ . 1 . 2]" 1
1324 1 148 GLN H 1 148 GLN HB2 4.000 . 4.400 4.094 4.051 4.130 . 0 0 "[ . 1 . 2]" 1
1325 1 148 GLN H 1 148 GLN HG3 4.550 . 5.010 3.656 3.374 3.844 . 0 0 "[ . 1 . 2]" 1
1326 1 148 GLN HE22 1 148 GLN HG3 4.000 . 4.400 3.495 3.480 3.512 . 0 0 "[ . 1 . 2]" 1
1327 1 148 GLN HE22 1 148 GLN HG2 4.000 . 4.400 3.844 3.791 4.078 . 0 0 "[ . 1 . 2]" 1
1328 1 148 GLN HE21 1 149 GLU H 6.000 . 6.600 4.804 3.682 5.441 . 0 0 "[ . 1 . 2]" 1
1329 1 148 GLN HE21 1 155 ASP HB2 4.300 . 4.730 4.343 3.541 4.767 0.037 2 0 "[ . 1 . 2]" 1
1330 1 148 GLN HE22 1 155 ASP HB2 4.700 . 5.170 4.944 3.965 5.261 0.091 1 0 "[ . 1 . 2]" 1
1331 1 148 GLN HB3 1 148 GLN HE22 4.700 . 5.170 4.725 4.519 4.842 . 0 0 "[ . 1 . 2]" 1
1332 1 148 GLN HA 1 149 GLU H 2.500 . 2.750 2.518 2.413 2.633 . 0 0 "[ . 1 . 2]" 1
1333 1 148 GLN HB3 1 149 GLU H 4.000 . 4.400 3.760 3.587 3.909 . 0 0 "[ . 1 . 2]" 1
1334 1 148 GLN HG3 1 149 GLU H 4.560 . 5.020 3.167 2.841 3.727 . 0 0 "[ . 1 . 2]" 1
1335 1 149 GLU H 1 149 GLU HB3 4.000 . 4.400 2.986 2.702 3.246 . 0 0 "[ . 1 . 2]" 1
1336 1 123 LEU H 1 150 TYR H 4.500 . 4.950 3.607 3.180 4.011 . 0 0 "[ . 1 . 2]" 1
1337 1 124 HIS HA 1 150 TYR H 3.200 . 3.520 2.858 2.484 3.359 . 0 0 "[ . 1 . 2]" 1
1338 1 125 VAL H 1 150 TYR H 4.530 . 4.980 3.597 3.348 3.816 . 0 0 "[ . 1 . 2]" 1
1339 1 125 VAL MG1 1 150 TYR H 6.000 . 6.600 6.509 6.260 6.710 0.110 12 0 "[ . 1 . 2]" 1
1340 1 149 GLU HA 1 150 TYR H 2.200 . 2.420 2.175 2.129 2.231 . 0 0 "[ . 1 . 2]" 1
1341 1 122 SER HB2 1 151 ARG H 6.000 . 6.600 4.866 4.596 5.002 . 0 0 "[ . 1 . 2]" 1
1342 1 150 TYR HA 1 151 ARG H 3.720 . 4.090 2.149 2.081 2.191 . 0 0 "[ . 1 . 2]" 1
1343 1 151 ARG H 1 151 ARG HG3 4.260 . 4.690 2.504 2.051 3.581 . 0 0 "[ . 1 . 2]" 1
1344 1 151 ARG H 1 151 ARG HB2 3.930 . 4.320 2.495 2.344 2.614 . 0 0 "[ . 1 . 2]" 1
1345 1 151 ARG H 1 152 ARG HD3 6.620 . 7.280 6.684 3.704 7.387 0.107 5 0 "[ . 1 . 2]" 1
1346 1 151 ARG HA 1 152 ARG H 4.430 . 4.870 3.441 3.314 3.509 . 0 0 "[ . 1 . 2]" 1
1347 1 151 ARG H 1 152 ARG H 3.820 . 4.200 2.422 2.027 2.694 . 0 0 "[ . 1 . 2]" 1
1348 1 151 ARG HA 1 152 ARG HB3 5.600 . 6.160 4.925 4.712 5.302 . 0 0 "[ . 1 . 2]" 1
1349 1 151 ARG H 1 155 ASP HB3 4.510 . 4.960 4.079 3.630 4.753 . 0 0 "[ . 1 . 2]" 1
1350 1 122 SER HB2 1 152 ARG H 4.500 . 4.950 4.327 3.798 4.794 . 0 0 "[ . 1 . 2]" 1
1351 1 122 SER H 1 152 ARG H 6.000 . 6.600 6.643 6.447 6.743 0.143 6 0 "[ . 1 . 2]" 1
1352 1 152 ARG H 1 152 ARG HB2 3.960 . 4.360 4.033 3.924 4.097 . 0 0 "[ . 1 . 2]" 1
1353 1 152 ARG H 1 152 ARG HG3 4.770 . 5.250 3.767 3.379 4.323 . 0 0 "[ . 1 . 2]" 1
1354 1 152 ARG HB2 1 152 ARG HD3 3.650 . 4.020 2.915 2.652 3.733 . 0 0 "[ . 1 . 2]" 1
1355 1 152 ARG HB3 1 153 CYS H 3.910 . 4.300 3.652 3.489 3.928 . 0 0 "[ . 1 . 2]" 1
1356 1 152 ARG HB3 1 154 GLN H 4.700 . 5.170 4.433 4.173 4.702 . 0 0 "[ . 1 . 2]" 1
1357 1 152 ARG HA 1 154 GLN H 5.060 . 5.570 4.380 4.181 4.669 . 0 0 "[ . 1 . 2]" 1
1358 1 152 ARG HG3 1 153 CYS H 4.440 . 4.880 3.468 3.016 4.118 . 0 0 "[ . 1 . 2]" 1
1359 1 152 ARG HG2 1 153 CYS H 4.500 . 4.950 4.313 3.838 4.777 . 0 0 "[ . 1 . 2]" 1
1360 1 152 ARG HA 1 153 CYS H 3.900 . 4.290 2.557 2.419 2.665 . 0 0 "[ . 1 . 2]" 1
1361 1 152 ARG H 1 153 CYS H 5.000 . 5.500 4.356 4.320 4.380 . 0 0 "[ . 1 . 2]" 1
1362 1 153 CYS H 1 153 CYS HB3 3.820 . 4.200 2.793 2.519 3.580 . 0 0 "[ . 1 . 2]" 1
1363 1 153 CYS H 1 153 CYS HB2 3.820 . 4.200 3.396 2.519 3.643 . 0 0 "[ . 1 . 2]" 1
1364 1 153 CYS H 1 153 CYS HG 4.800 . 5.280 3.196 2.097 4.200 . 0 0 "[ . 1 . 2]" 1
1365 1 153 CYS H 1 154 GLN H 4.580 . 5.040 2.590 2.394 2.734 . 0 0 "[ . 1 . 2]" 1
1366 1 153 CYS H 1 154 GLN HE22 6.000 . 6.600 5.725 2.779 6.734 0.134 9 0 "[ . 1 . 2]" 1
1367 1 95 GLU HG2 1 153 CYS H 4.600 . 5.060 3.899 2.864 4.924 . 0 0 "[ . 1 . 2]" 1
1368 1 152 ARG HG3 1 154 GLN H 3.830 . 4.210 2.249 1.902 3.013 . 0 0 "[ . 1 . 2]" 1
1369 1 152 ARG HD3 1 154 GLN H 4.740 . 5.210 4.267 3.894 5.252 0.042 9 0 "[ . 1 . 2]" 1
1370 1 154 GLN H 1 154 GLN HG3 4.230 . 4.650 2.906 1.974 3.734 . 0 0 "[ . 1 . 2]" 1
1371 1 152 ARG HB3 1 155 ASP H 4.800 . 5.280 5.247 4.980 5.420 0.140 4 0 "[ . 1 . 2]" 1
1372 1 152 ARG H 1 155 ASP HB3 4.470 . 4.920 4.488 4.063 4.971 0.051 16 0 "[ . 1 . 2]" 1
1373 1 150 TYR QD 1 155 ASP HB2 5.000 . 5.500 2.281 1.837 2.502 . 0 0 "[ . 1 . 2]" 1
1374 1 154 GLN HB2 1 155 ASP HB2 5.500 . 6.050 5.414 5.157 5.777 . 0 0 "[ . 1 . 2]" 1
1375 1 152 ARG HG3 1 155 ASP HB2 5.850 . 6.430 4.701 4.011 5.533 . 0 0 "[ . 1 . 2]" 1
1376 1 152 ARG HG3 1 155 ASP HB3 5.680 . 6.250 5.806 5.027 6.372 0.122 9 0 "[ . 1 . 2]" 1
1377 1 152 ARG H 1 155 ASP H 4.840 . 5.320 3.791 3.506 4.211 . 0 0 "[ . 1 . 2]" 1
1378 1 152 ARG HB2 1 155 ASP H 5.170 . 5.690 4.568 4.301 4.817 . 0 0 "[ . 1 . 2]" 1
1379 1 154 GLN HG3 1 155 ASP H 5.000 . 5.500 4.900 4.296 5.457 . 0 0 "[ . 1 . 2]" 1
1380 1 154 GLN HA 1 155 ASP H 4.670 . 5.140 3.475 3.377 3.529 . 0 0 "[ . 1 . 2]" 1
1381 1 155 ASP H 1 155 ASP HB3 3.580 . 3.940 3.618 3.594 3.659 . 0 0 "[ . 1 . 2]" 1
1382 1 155 ASP H 1 158 ALA H 5.000 . 5.500 4.824 4.519 5.089 . 0 0 "[ . 1 . 2]" 1
1383 1 143 TYR HB2 1 156 TRP HE1 4.850 . 5.330 3.564 3.211 4.046 . 0 0 "[ . 1 . 2]" 1
1384 1 153 CYS HB3 1 156 TRP HE1 6.530 . 7.180 5.560 4.542 7.008 . 0 0 "[ . 1 . 2]" 1
1385 1 145 LEU MD2 1 156 TRP HB2 5.400 . 5.500 3.389 2.287 4.447 . 0 0 "[ . 1 . 2]" 1
1386 1 145 LEU MD2 1 156 TRP HB3 4.990 . 5.490 3.371 2.764 4.192 . 0 0 "[ . 1 . 2]" 1
1387 1 154 GLN H 1 156 TRP H 4.880 . 5.370 4.766 4.495 5.036 . 0 0 "[ . 1 . 2]" 1
1388 1 154 GLN HA 1 156 TRP H 5.120 . 5.630 4.445 3.991 4.795 . 0 0 "[ . 1 . 2]" 1
1389 1 155 ASP HB2 1 156 TRP H 4.230 . 4.650 2.701 2.454 2.904 . 0 0 "[ . 1 . 2]" 1
1390 1 155 ASP H 1 156 TRP H 3.760 . 4.140 2.846 2.665 3.023 . 0 0 "[ . 1 . 2]" 1
1391 1 155 ASP HA 1 156 TRP H 4.340 . 4.770 3.606 3.568 3.634 . 0 0 "[ . 1 . 2]" 1
1392 1 155 ASP HB3 1 156 TRP H 4.070 . 4.480 3.536 3.156 3.811 . 0 0 "[ . 1 . 2]" 1
1393 1 156 TRP HB3 1 156 TRP HE1 5.100 . 5.610 5.253 5.225 5.285 . 0 0 "[ . 1 . 2]" 1
1394 1 156 TRP H 1 157 GLY HA2 5.300 . 5.830 4.814 4.653 5.019 . 0 0 "[ . 1 . 2]" 1
1395 1 156 TRP H 1 157 GLY HA3 5.200 . 5.720 5.178 5.068 5.325 . 0 0 "[ . 1 . 2]" 1
1396 1 156 TRP HE1 1 158 ALA HA 6.100 . 6.710 4.163 3.338 4.740 . 0 0 "[ . 1 . 2]" 1
1397 1 132 LEU MD2 1 156 TRP HE1 6.500 . 7.150 3.394 2.317 4.748 . 0 0 "[ . 1 . 2]" 1
1398 1 143 TYR QD 1 156 TRP HE1 4.200 . 4.620 3.092 2.316 3.911 . 0 0 "[ . 1 . 2]" 1
1399 1 145 LEU MD1 1 156 TRP HE1 6.400 . 7.040 5.799 5.285 6.210 . 0 0 "[ . 1 . 2]" 1
1400 1 156 TRP H 1 158 ALA H 4.910 . 5.400 3.599 3.301 3.896 . 0 0 "[ . 1 . 2]" 1
1401 1 154 GLN HB3 1 157 GLY H 5.400 . 5.940 5.009 4.732 5.296 . 0 0 "[ . 1 . 2]" 1
1402 1 154 GLN HA 1 157 GLY H 4.690 . 5.160 3.521 3.192 3.769 . 0 0 "[ . 1 . 2]" 1
1403 1 155 ASP H 1 157 GLY H 5.450 . 6.000 3.946 3.732 4.080 . 0 0 "[ . 1 . 2]" 1
1404 1 156 TRP HA 1 157 GLY H 4.780 . 5.260 3.120 3.029 3.277 . 0 0 "[ . 1 . 2]" 1
1405 1 156 TRP HB3 1 157 GLY H 4.990 . 5.490 4.531 4.427 4.579 . 0 0 "[ . 1 . 2]" 1
1406 1 157 GLY H 1 158 ALA H 3.730 . 4.100 2.557 2.300 2.735 . 0 0 "[ . 1 . 2]" 1
1407 1 154 GLN HA 1 158 ALA H 5.500 . 6.050 3.263 2.638 3.712 . 0 0 "[ . 1 . 2]" 1
1408 1 156 TRP HD1 1 158 ALA H 5.440 . 5.980 3.879 3.163 4.495 . 0 0 "[ . 1 . 2]" 1
1409 1 156 TRP HE1 1 158 ALA H 5.000 . 5.500 4.458 4.081 4.886 . 0 0 "[ . 1 . 2]" 1
1410 1 156 TRP HE1 1 158 ALA MB 4.000 . 4.400 2.144 1.940 2.517 . 0 0 "[ . 1 . 2]" 1
1411 1 156 TRP H 1 158 ALA MB 5.500 . 6.050 4.227 4.027 4.603 . 0 0 "[ . 1 . 2]" 1
1412 1 157 GLY H 1 158 ALA MB 5.930 . 6.520 4.257 4.068 4.420 . 0 0 "[ . 1 . 2]" 1
1413 1 157 GLY HA3 1 158 ALA H 4.140 . 4.550 3.496 3.323 3.570 . 0 0 "[ . 1 . 2]" 1
1414 1 157 GLY HA2 1 158 ALA H 3.590 . 3.950 2.973 2.748 3.317 . 0 0 "[ . 1 . 2]" 1
1415 1 153 CYS HB2 1 158 ALA H 5.000 . 5.500 4.514 3.856 5.432 . 0 0 "[ . 1 . 2]" 1
1416 1 158 ALA MB 1 159 MET H 4.450 . 4.890 3.125 2.702 3.479 . 0 0 "[ . 1 . 2]" 1
1417 1 158 ALA MB 1 161 ALA H 6.340 . 6.970 4.701 4.340 5.080 . 0 0 "[ . 1 . 2]" 1
1418 1 143 TYR QD 1 159 MET H 5.000 . 5.500 5.057 3.979 5.686 0.186 5 0 "[ . 1 . 2]" 1
1419 1 143 TYR QE 1 159 MET H 4.400 . 4.840 3.204 1.890 4.169 . 0 0 "[ . 1 . 2]" 1
1420 1 158 ALA H 1 159 MET H 5.070 . 5.580 4.472 4.242 4.580 . 0 0 "[ . 1 . 2]" 1
1421 1 158 ALA HA 1 159 MET H 3.160 . 3.480 2.165 2.123 2.227 . 0 0 "[ . 1 . 2]" 1
1422 1 159 MET H 1 159 MET HB3 3.680 . 4.050 3.519 2.548 3.660 . 0 0 "[ . 1 . 2]" 1
1423 1 158 ALA MB 1 160 ASP H 4.010 . 4.410 2.594 2.203 2.980 . 0 0 "[ . 1 . 2]" 1
1424 1 158 ALA H 1 160 ASP H 4.890 . 5.380 5.248 4.720 5.509 0.129 15 0 "[ . 1 . 2]" 1
1425 1 159 MET H 1 160 ASP H 3.350 . 3.690 2.512 2.365 2.628 . 0 0 "[ . 1 . 2]" 1
1426 1 159 MET HA 1 160 ASP H 3.530 . 3.880 3.384 3.181 3.498 . 0 0 "[ . 1 . 2]" 1
1427 1 159 MET HB2 1 160 ASP H 3.750 . 4.130 3.282 2.726 3.891 . 0 0 "[ . 1 . 2]" 1
1428 1 159 MET HB3 1 160 ASP H 4.330 . 4.760 3.976 2.730 4.426 . 0 0 "[ . 1 . 2]" 1
1429 1 160 ASP H 1 160 ASP HB2 3.840 . 4.220 3.941 3.794 4.069 . 0 0 "[ . 1 . 2]" 1
1430 1 160 ASP H 1 161 ALA H 4.470 . 4.920 4.346 4.282 4.434 . 0 0 "[ . 1 . 2]" 1
1431 1 160 ASP HA 1 161 ALA H 3.200 . 3.520 2.476 2.298 2.821 . 0 0 "[ . 1 . 2]" 1
1432 1 160 ASP HA 1 162 LYS H 5.000 . 5.500 4.268 4.112 4.504 . 0 0 "[ . 1 . 2]" 1
1433 1 160 ASP HB3 1 161 ALA H 3.520 . 3.870 3.755 3.549 3.903 0.033 13 0 "[ . 1 . 2]" 1
1434 1 161 ALA H 1 162 LYS HA 5.000 . 5.500 4.575 4.255 4.899 . 0 0 "[ . 1 . 2]" 1
1435 1 161 ALA H 1 162 LYS HB3 4.900 . 5.390 5.116 4.573 5.437 0.047 8 0 "[ . 1 . 2]" 1
1436 1 161 ALA H 1 162 LYS H 4.100 . 4.510 2.715 2.458 3.014 . 0 0 "[ . 1 . 2]" 1
1437 1 119 GLU HG2 1 162 LYS H 5.000 . 5.500 4.058 3.305 5.221 . 0 0 "[ . 1 . 2]" 1
1438 1 160 ASP HB3 1 162 LYS H 4.410 . 4.850 4.482 4.042 4.808 . 0 0 "[ . 1 . 2]" 1
1439 1 162 LYS H 1 162 LYS HB3 4.000 . 4.400 2.533 2.382 2.686 . 0 0 "[ . 1 . 2]" 1
1440 1 162 LYS H 1 162 LYS HG2 4.500 . 4.950 4.630 4.575 4.693 . 0 0 "[ . 1 . 2]" 1
1441 1 134 GLU H 1 162 LYS HG3 5.000 . 5.500 5.356 5.054 5.557 0.057 3 0 "[ . 1 . 2]" 1
1442 1 119 GLU HA 1 162 LYS H 4.500 . 4.950 4.697 4.307 5.014 0.064 3 0 "[ . 1 . 2]" 1
1443 1 119 GLU HA 1 163 ALA H 3.800 . 4.180 2.673 1.863 3.628 . 0 0 "[ . 1 . 2]" 1
1444 1 120 ILE HB 1 163 ALA MB 3.900 . 4.290 2.780 2.166 3.641 . 0 0 "[ . 1 . 2]" 1
1445 1 120 ILE H 1 163 ALA H 4.620 . 5.080 3.999 3.215 4.408 . 0 0 "[ . 1 . 2]" 1
1446 1 162 LYS HA 1 163 ALA H 3.800 . 4.180 2.154 2.097 2.239 . 0 0 "[ . 1 . 2]" 1
1447 1 132 LEU MD2 1 164 GLY H 5.730 . 6.300 3.599 2.260 4.451 . 0 0 "[ . 1 . 2]" 1
1448 1 135 LEU HA 1 164 GLY H 5.190 . 5.710 4.953 3.896 5.468 . 0 0 "[ . 1 . 2]" 1
1449 1 135 LEU H 1 164 GLY HA3 4.640 . 5.100 4.217 4.019 4.478 . 0 0 "[ . 1 . 2]" 1
1450 1 163 ALA MB 1 164 GLY H 5.120 . 5.630 3.382 2.928 3.634 . 0 0 "[ . 1 . 2]" 1
1451 1 163 ALA H 1 164 GLY H 4.500 . 4.950 4.028 3.543 4.397 . 0 0 "[ . 1 . 2]" 1
1452 1 164 GLY H 1 165 SER HA 5.000 . 5.500 4.664 4.302 5.127 . 0 0 "[ . 1 . 2]" 1
1453 1 111 ILE HG13 1 165 SER H 4.600 . 5.060 3.775 3.511 4.228 . 0 0 "[ . 1 . 2]" 1
1454 1 111 ILE MD 1 165 SER H 4.300 . 4.730 3.299 2.776 4.698 . 0 0 "[ . 1 . 2]" 1
1455 1 132 LEU HB3 1 165 SER H 6.000 . 6.600 6.479 6.060 6.723 0.123 18 0 "[ . 1 . 2]" 1
1456 1 132 LEU MD2 1 165 SER H 5.030 . 5.530 4.467 3.026 5.518 . 0 0 "[ . 1 . 2]" 1
1457 1 133 TYR HA 1 165 SER H 5.660 . 6.230 4.782 4.578 4.977 . 0 0 "[ . 1 . 2]" 1
1458 1 133 TYR HB2 1 165 SER H 4.430 . 4.870 2.763 2.325 3.097 . 0 0 "[ . 1 . 2]" 1
1459 1 135 LEU HA 1 165 SER H 4.960 . 5.460 5.414 5.004 5.602 0.142 3 0 "[ . 1 . 2]" 1
1460 1 135 LEU H 1 165 SER H 5.500 . 6.050 5.300 4.999 5.584 . 0 0 "[ . 1 . 2]" 1
1461 1 164 GLY H 1 165 SER H 4.200 . 4.620 2.245 1.853 2.589 . 0 0 "[ . 1 . 2]" 1
1462 1 164 GLY HA3 1 165 SER H 4.100 . 4.510 2.747 2.541 2.976 . 0 0 "[ . 1 . 2]" 1
1463 1 164 GLY HA2 1 165 SER H 4.150 . 4.570 3.576 3.546 3.592 . 0 0 "[ . 1 . 2]" 1
1464 1 165 SER H 1 166 LEU HG 6.690 . 7.360 5.580 4.421 7.117 . 0 0 "[ . 1 . 2]" 1
1465 1 165 SER H 1 166 LEU HB3 6.750 . 7.430 6.850 6.659 7.018 . 0 0 "[ . 1 . 2]" 1
1466 1 165 SER H 1 166 LEU MD2 6.500 . 7.150 4.463 3.674 5.090 . 0 0 "[ . 1 . 2]" 1
1467 1 165 SER H 1 166 LEU H 5.400 . 5.940 4.404 4.344 4.452 . 0 0 "[ . 1 . 2]" 1
1468 1 104 LEU MD2 1 166 LEU H 5.430 . 5.970 4.468 4.102 4.789 . 0 0 "[ . 1 . 2]" 1
1469 1 108 CYS H 1 166 LEU H 3.300 . 3.630 3.315 3.010 3.649 0.019 1 0 "[ . 1 . 2]" 1
1470 1 111 ILE MG 1 166 LEU H 5.640 . 6.200 5.822 5.309 6.241 0.041 5 0 "[ . 1 . 2]" 1
1471 1 165 SER HA 1 166 LEU H 3.200 . 3.520 2.393 2.268 2.518 . 0 0 "[ . 1 . 2]" 1
1472 1 165 SER HB3 1 166 LEU H 4.380 . 4.820 3.737 3.588 3.905 . 0 0 "[ . 1 . 2]" 1
1473 1 165 SER HB2 1 166 LEU H 4.070 . 4.480 2.571 2.197 2.863 . 0 0 "[ . 1 . 2]" 1
1474 1 166 LEU HA 1 166 LEU HG 4.290 . 4.720 3.291 2.861 3.798 . 0 0 "[ . 1 . 2]" 1
1475 1 166 LEU H 1 166 LEU HG 4.500 . 4.950 3.916 3.124 5.074 0.124 1 0 "[ . 1 . 2]" 1
1476 1 166 LEU H 1 166 LEU HB3 4.040 . 4.440 3.720 3.397 3.825 . 0 0 "[ . 1 . 2]" 1
1477 1 166 LEU H 1 166 LEU MD1 5.170 . 5.690 4.117 3.574 4.398 . 0 0 "[ . 1 . 2]" 1
1478 1 166 LEU HB2 1 166 LEU MD1 3.200 . 3.520 2.712 2.326 3.259 . 0 0 "[ . 1 . 2]" 1
1479 1 166 LEU HB3 1 166 LEU MD1 3.220 . 3.540 2.494 2.407 2.601 . 0 0 "[ . 1 . 2]" 1
1480 1 166 LEU HA 1 166 LEU HB2 2.900 . 3.190 3.030 2.883 3.063 . 0 0 "[ . 1 . 2]" 1
1481 1 166 LEU HA 1 166 LEU HB3 3.000 . 3.300 2.628 2.487 2.939 . 0 0 "[ . 1 . 2]" 1
1482 1 166 LEU HB3 1 167 ARG H 3.500 . 3.850 3.137 2.849 3.605 . 0 0 "[ . 1 . 2]" 1
1483 1 131 VAL H 1 166 LEU HB3 5.210 . 5.730 4.636 4.062 5.549 . 0 0 "[ . 1 . 2]" 1
1484 1 166 LEU MD1 1 167 ARG H 4.830 . 5.310 4.217 2.259 5.111 . 0 0 "[ . 1 . 2]" 1
1485 1 132 LEU HB2 1 166 LEU MD1 6.810 . 7.490 4.097 2.665 5.191 . 0 0 "[ . 1 . 2]" 1
1486 1 91 LEU MD1 1 166 LEU MD1 4.730 . 5.200 3.122 2.009 4.610 . 0 0 "[ . 1 . 2]" 1
1487 1 166 LEU H 1 167 ARG H 5.150 . 5.500 4.396 4.292 4.489 . 0 0 "[ . 1 . 2]" 1
1488 1 133 TYR QD 1 166 LEU H 4.700 . 5.170 4.257 3.473 4.788 . 0 0 "[ . 1 . 2]" 1
1489 1 138 TYR QD 1 166 LEU H 5.000 . 5.500 4.520 3.951 5.027 . 0 0 "[ . 1 . 2]" 1
1490 1 166 LEU HA 1 167 ARG H 3.200 . 3.520 2.220 2.176 2.276 . 0 0 "[ . 1 . 2]" 1
1491 1 166 LEU H 1 167 ARG HB3 5.750 . 6.320 5.939 5.435 6.384 0.064 3 0 "[ . 1 . 2]" 1
1492 1 166 LEU MD2 1 167 ARG H 4.800 . 5.280 3.868 3.142 5.066 . 0 0 "[ . 1 . 2]" 1
1493 1 130 TRP HB3 1 167 ARG H 5.240 . 5.760 3.894 3.332 4.289 . 0 0 "[ . 1 . 2]" 1
1494 1 131 VAL HA 1 167 ARG H 5.200 . 5.720 4.897 4.687 5.219 . 0 0 "[ . 1 . 2]" 1
1495 1 131 VAL HB 1 167 ARG H 4.100 . 4.510 3.614 3.329 4.101 . 0 0 "[ . 1 . 2]" 1
1496 1 132 LEU HA 1 167 ARG H 4.060 . 4.470 4.009 3.761 4.223 . 0 0 "[ . 1 . 2]" 1
1497 1 166 LEU HB2 1 167 ARG H 4.550 . 5.010 4.193 3.960 4.524 . 0 0 "[ . 1 . 2]" 1
1498 1 167 ARG HA 1 167 ARG HD2 5.460 . 6.010 4.615 3.656 4.904 . 0 0 "[ . 1 . 2]" 1
1499 1 167 ARG HA 1 167 ARG HG3 4.100 . 4.510 2.714 2.496 2.962 . 0 0 "[ . 1 . 2]" 1
1500 1 167 ARG H 1 167 ARG HB3 4.200 . 4.620 2.715 2.562 2.923 . 0 0 "[ . 1 . 2]" 1
1501 1 167 ARG H 1 167 ARG HG3 5.360 . 5.900 4.708 4.472 4.841 . 0 0 "[ . 1 . 2]" 1
1502 1 167 ARG H 1 167 ARG HB2 3.780 . 4.160 3.340 3.080 3.550 . 0 0 "[ . 1 . 2]" 1
1503 1 133 TYR QD 1 167 ARG H 4.200 . 4.620 3.511 3.193 3.884 . 0 0 "[ . 1 . 2]" 1
1504 1 133 TYR QE 1 167 ARG H 4.000 . 4.400 3.011 2.428 3.510 . 0 0 "[ . 1 . 2]" 1
1505 1 131 VAL MG1 1 167 ARG HG2 5.700 . 6.270 5.136 4.216 5.844 . 0 0 "[ . 1 . 2]" 1
1506 1 133 TYR QD 1 167 ARG HG2 5.960 . 6.560 6.073 5.727 6.616 0.056 3 0 "[ . 1 . 2]" 1
1507 1 107 ASP HB3 1 167 ARG HG2 5.500 . 6.050 5.533 4.386 6.079 0.029 5 0 "[ . 1 . 2]" 1
1508 1 167 ARG HA 1 167 ARG HG2 3.600 . 3.960 3.497 2.911 3.964 0.004 5 0 "[ . 1 . 2]" 1
1509 1 167 ARG HD3 1 167 ARG HG2 3.000 . 3.300 2.455 2.313 3.034 . 0 0 "[ . 1 . 2]" 1
1510 1 167 ARG HD2 1 167 ARG HG2 3.000 . 3.300 2.595 2.402 3.039 . 0 0 "[ . 1 . 2]" 1
1511 1 167 ARG HB2 1 167 ARG HG2 3.000 . 3.300 3.001 2.709 3.041 . 0 0 "[ . 1 . 2]" 1
1512 1 167 ARG HG3 1 168 ARG HG3 5.600 . 6.160 4.867 4.193 5.830 . 0 0 "[ . 1 . 2]" 1
1513 1 167 ARG H 1 168 ARG H 5.000 . 5.500 4.350 4.218 4.436 . 0 0 "[ . 1 . 2]" 1
1514 1 107 ASP HB3 1 168 ARG H 4.000 . 4.400 4.090 3.721 4.441 0.041 8 0 "[ . 1 . 2]" 1
1515 1 107 ASP HA 1 168 ARG H 3.700 . 4.070 3.608 3.120 4.001 . 0 0 "[ . 1 . 2]" 1
1516 1 167 ARG HG3 1 168 ARG H 5.010 . 5.510 2.472 2.099 3.433 . 0 0 "[ . 1 . 2]" 1
1517 1 167 ARG HG2 1 168 ARG H 4.930 . 5.420 3.139 2.568 4.038 . 0 0 "[ . 1 . 2]" 1
1518 1 167 ARG HB3 1 168 ARG H 4.580 . 5.040 4.045 3.804 4.238 . 0 0 "[ . 1 . 2]" 1
1519 1 167 ARG HA 1 168 ARG H 3.200 . 3.520 2.206 2.081 2.308 . 0 0 "[ . 1 . 2]" 1
1520 1 168 ARG H 1 168 ARG HB2 4.170 . 4.590 2.441 2.348 2.528 . 0 0 "[ . 1 . 2]" 1
1521 1 168 ARG H 1 168 ARG HG2 4.030 . 4.430 3.698 3.293 4.159 . 0 0 "[ . 1 . 2]" 1
1522 1 41 CYS HB2 1 169 VAL MG2 4.370 . 4.810 4.282 3.152 4.770 . 0 0 "[ . 1 . 2]" 1
1523 1 41 CYS HB3 1 169 VAL MG2 6.500 . 7.150 4.161 3.174 4.963 . 0 0 "[ . 1 . 2]" 1
1524 1 81 ILE MG 1 169 VAL H 5.000 . 5.500 4.945 4.573 5.239 . 0 0 "[ . 1 . 2]" 1
1525 1 131 VAL H 1 169 VAL H 5.120 . 5.630 4.543 4.291 4.799 . 0 0 "[ . 1 . 2]" 1
1526 1 131 VAL MG2 1 169 VAL H 4.800 . 5.280 4.023 3.751 4.410 . 0 0 "[ . 1 . 2]" 1
1527 1 144 LEU MD1 1 169 VAL H 6.810 . 7.490 7.202 6.899 7.490 0.000 8 0 "[ . 1 . 2]" 1
1528 1 144 LEU MD2 1 169 VAL H 5.000 . 5.500 5.379 4.991 5.583 0.083 14 0 "[ . 1 . 2]" 1
1529 1 168 ARG HA 1 169 VAL MG1 5.930 . 6.520 5.622 5.552 5.662 . 0 0 "[ . 1 . 2]" 1
1530 1 168 ARG H 1 169 VAL H 5.890 . 6.480 4.516 4.414 4.619 . 0 0 "[ . 1 . 2]" 1
1531 1 168 ARG HB3 1 169 VAL H 4.370 . 4.810 3.393 2.794 3.588 . 0 0 "[ . 1 . 2]" 1
1532 1 168 ARG HB2 1 169 VAL H 4.740 . 5.210 4.224 3.884 4.330 . 0 0 "[ . 1 . 2]" 1
1533 1 168 ARG HA 1 169 VAL H 3.200 . 3.520 2.242 2.197 2.313 . 0 0 "[ . 1 . 2]" 1
1534 1 168 ARG HG3 1 169 VAL H 5.000 . 5.500 5.093 4.346 5.377 . 0 0 "[ . 1 . 2]" 1
1535 1 168 ARG HA 1 169 VAL MG2 4.000 . 4.400 3.782 3.568 3.989 . 0 0 "[ . 1 . 2]" 1
1536 1 169 VAL MG1 1 169 VAL MG2 2.800 . 3.080 2.136 2.123 2.147 . 0 0 "[ . 1 . 2]" 1
1537 1 169 VAL HA 1 169 VAL MG1 2.530 . 2.780 2.438 2.368 2.555 . 0 0 "[ . 1 . 2]" 1
1538 1 169 VAL HA 1 169 VAL MG2 3.200 . 3.520 2.461 2.349 2.545 . 0 0 "[ . 1 . 2]" 1
1539 1 169 VAL H 1 169 VAL MG2 4.000 . 4.400 2.207 2.100 2.410 . 0 0 "[ . 1 . 2]" 1
1540 1 169 VAL H 1 169 VAL MG1 4.220 . 4.640 3.849 3.812 3.880 . 0 0 "[ . 1 . 2]" 1
1541 1 169 VAL H 1 170 VAL MG2 6.500 . 7.150 6.566 6.327 6.761 . 0 0 "[ . 1 . 2]" 1
1542 1 169 VAL H 1 170 VAL H 5.180 . 5.700 4.347 4.019 4.557 . 0 0 "[ . 1 . 2]" 1
1543 1 83 GLN HE22 1 170 VAL MG2 4.500 . 4.950 2.073 1.777 3.002 0.023 11 0 "[ . 1 . 2]" 1
1544 1 83 GLN HE22 1 170 VAL MG1 5.000 . 5.500 4.474 4.207 5.421 . 0 0 "[ . 1 . 2]" 1
1545 1 83 GLN HE21 1 170 VAL MG2 4.610 . 5.070 3.213 2.173 3.651 . 0 0 "[ . 1 . 2]" 1
1546 1 169 VAL MG2 1 170 VAL H 4.500 . 4.950 4.185 4.052 4.332 . 0 0 "[ . 1 . 2]" 1
1547 1 169 VAL MG2 1 170 VAL HA 5.500 . 6.050 5.623 5.488 5.770 . 0 0 "[ . 1 . 2]" 1
1548 1 169 VAL HA 1 170 VAL H 4.000 . 4.400 2.143 2.082 2.244 . 0 0 "[ . 1 . 2]" 1
1549 1 170 VAL H 1 170 VAL HB 4.010 . 4.410 3.218 2.853 3.435 . 0 0 "[ . 1 . 2]" 1
1550 1 170 VAL H 1 170 VAL MG2 4.160 . 4.580 3.927 3.825 4.019 . 0 0 "[ . 1 . 2]" 1
1551 1 170 VAL H 1 171 ASP HA 5.000 . 5.500 4.835 4.539 5.282 . 0 0 "[ . 1 . 2]" 1
1552 1 170 VAL HB 1 171 ASP H 4.500 . 4.950 4.236 4.065 4.454 . 0 0 "[ . 1 . 2]" 1
1553 1 170 VAL H 1 171 ASP H 4.590 . 5.050 4.299 3.964 4.559 . 0 0 "[ . 1 . 2]" 1
1554 1 40 GLY HA2 1 171 ASP H 6.100 . 6.710 5.347 4.457 6.843 0.133 10 0 "[ . 1 . 2]" 1
1555 1 83 GLN HG2 1 171 ASP H 5.730 . 6.300 3.828 1.828 5.100 . 0 0 "[ . 1 . 2]" 1
1556 1 83 GLN HB3 1 171 ASP H 5.100 . 5.610 4.836 4.226 5.447 . 0 0 "[ . 1 . 2]" 1
1557 1 170 VAL HA 1 171 ASP H 4.010 . 4.410 2.241 2.144 2.424 . 0 0 "[ . 1 . 2]" 1
1558 1 170 VAL MG2 1 171 ASP H 4.430 . 4.870 2.700 2.236 3.347 . 0 0 "[ . 1 . 2]" 1
1559 1 170 VAL MG1 1 171 ASP H 5.000 . 5.500 4.062 3.722 4.336 . 0 0 "[ . 1 . 2]" 1
1560 1 171 ASP H 1 171 ASP HB2 3.200 . 3.520 2.521 2.355 2.737 . 0 0 "[ . 1 . 2]" 1
1561 1 171 ASP H 1 171 ASP HB3 3.800 . 4.180 3.068 2.410 3.650 . 0 0 "[ . 1 . 2]" 1
1562 1 171 ASP H 1 172 LEU H 4.460 . 4.910 4.413 4.290 4.588 . 0 0 "[ . 1 . 2]" 1
1563 1 171 ASP HB3 1 173 TYR HB3 6.880 . 7.570 5.251 4.027 6.421 . 0 0 "[ . 1 . 2]" 1
1564 1 170 VAL MG2 1 172 LEU H 5.580 . 6.140 4.635 4.240 5.131 . 0 0 "[ . 1 . 2]" 1
1565 1 170 VAL MG1 1 172 LEU H 5.000 . 5.500 4.497 3.911 5.132 . 0 0 "[ . 1 . 2]" 1
1566 1 171 ASP HB3 1 172 LEU H 4.200 . 4.620 3.990 3.339 4.431 . 0 0 "[ . 1 . 2]" 1
1567 1 171 ASP HA 1 172 LEU H 4.500 . 4.950 2.159 2.107 2.239 . 0 0 "[ . 1 . 2]" 1
1568 1 172 LEU H 1 172 LEU HB3 4.000 . 4.400 3.644 3.543 3.782 . 0 0 "[ . 1 . 2]" 1
1569 1 172 LEU H 1 172 LEU MD2 5.000 . 5.500 3.748 3.002 4.397 . 0 0 "[ . 1 . 2]" 1
1570 1 172 LEU H 1 172 LEU MD1 5.000 . 5.500 3.316 2.253 4.198 . 0 0 "[ . 1 . 2]" 1
1571 1 172 LEU HG 1 173 TYR HB3 6.860 . 7.550 7.234 6.608 7.641 0.091 6 0 "[ . 1 . 2]" 1
1572 1 172 LEU H 1 173 TYR HA 5.150 . 5.670 5.286 5.051 5.560 . 0 0 "[ . 1 . 2]" 1
1573 1 171 ASP HB3 1 173 TYR H 6.100 . 6.710 5.984 5.037 6.794 0.084 3 0 "[ . 1 . 2]" 1
1574 1 172 LEU HB2 1 173 TYR HA 5.000 . 5.500 4.922 4.704 5.312 . 0 0 "[ . 1 . 2]" 1
1575 1 172 LEU HB3 1 173 TYR H 4.100 . 4.400 2.948 2.245 3.585 . 0 0 "[ . 1 . 2]" 1
1576 1 172 LEU H 1 173 TYR H 4.800 . 5.280 4.510 4.372 4.618 . 0 0 "[ . 1 . 2]" 1
1577 1 172 LEU HA 1 173 TYR H 3.710 . 4.080 2.257 2.122 2.468 . 0 0 "[ . 1 . 2]" 1
1578 1 172 LEU MD2 1 173 TYR H 4.570 . 5.030 3.973 3.396 5.031 0.001 1 0 "[ . 1 . 2]" 1
1579 1 172 LEU MD1 1 173 TYR H 5.000 . 5.500 4.776 4.325 5.321 . 0 0 "[ . 1 . 2]" 1
1580 1 173 TYR H 1 173 TYR HB3 4.000 . 4.400 3.381 2.979 3.658 . 0 0 "[ . 1 . 2]" 1
1581 1 173 TYR H 1 173 TYR QE 5.250 . 5.780 4.204 3.810 4.485 . 0 0 "[ . 1 . 2]" 1
1582 1 172 LEU HB2 1 173 TYR H 4.400 . 4.840 4.002 3.587 4.386 . 0 0 "[ . 1 . 2]" 1
1583 1 90 ARG HB2 1 126 LEU MD1 5.210 . 5.730 3.342 2.740 3.954 . 0 0 "[ . 1 . 2]" 1
1584 1 127 GLU HA 1 147 PRO HA 4.810 . 5.290 4.105 3.540 4.714 . 0 0 "[ . 1 . 2]" 1
1585 1 132 LEU HB2 1 145 LEU MD2 4.540 . 4.990 2.494 2.021 2.906 . 0 0 "[ . 1 . 2]" 1
1586 1 3 ILE HA 1 37 VAL HA 2.700 . 2.970 2.382 2.057 2.960 . 0 0 "[ . 1 . 2]" 1
1587 1 5 PHE HA 1 35 ILE HA 2.700 . 2.970 2.902 2.761 3.022 0.052 15 0 "[ . 1 . 2]" 1
1588 1 6 TYR HA 1 15 SER HA 2.700 . 2.970 2.799 2.494 3.036 0.066 7 0 "[ . 1 . 2]" 1
1589 1 4 THR HA 1 17 GLU HA 2.500 . 2.750 2.177 1.945 2.324 . 0 0 "[ . 1 . 2]" 1
1590 1 21 ASP HA 1 79 CYS HA 3.000 . 3.300 2.738 2.286 3.215 . 0 0 "[ . 1 . 2]" 1
1591 1 36 ARG HA 1 61 GLU HA 2.600 . 2.860 2.321 1.953 2.765 . 0 0 "[ . 1 . 2]" 1
1592 1 43 MET HA 1 56 LEU HA 2.600 . 2.860 2.579 2.159 2.899 0.039 19 0 "[ . 1 . 2]" 1
1593 1 45 TYR HA 1 54 GLN HA 2.600 . 2.860 2.430 2.220 2.691 . 0 0 "[ . 1 . 2]" 1
1594 1 44 LEU HA 1 78 CYS HA 2.600 . 2.860 2.337 2.062 2.649 . 0 0 "[ . 1 . 2]" 1
1595 1 42 TRP HA 1 80 LEU HA 3.000 . 3.300 3.210 2.431 3.453 0.153 15 0 "[ . 1 . 2]" 1
1596 1 90 ARG HA 1 103 GLU HA 2.600 . 2.860 2.340 2.005 2.676 . 0 0 "[ . 1 . 2]" 1
1597 1 92 TYR HA 1 101 MET HA 2.600 . 2.860 2.709 2.513 2.924 0.064 2 0 "[ . 1 . 2]" 1
1598 1 89 LEU HA 1 125 VAL HA 2.600 . 2.860 2.231 1.998 2.397 . 0 0 "[ . 1 . 2]" 1
1599 1 124 HIS HA 1 149 GLU HA 2.600 . 2.860 2.017 1.783 2.509 0.017 11 0 "[ . 1 . 2]" 1
1600 1 131 VAL HA 1 144 LEU HA 2.600 . 2.860 2.717 2.172 2.895 0.035 9 0 "[ . 1 . 2]" 1
1601 1 133 TYR HA 1 142 GLN HA 2.600 . 2.860 2.480 2.234 2.901 0.041 4 0 "[ . 1 . 2]" 1
1602 1 132 LEU HA 1 166 LEU HA 2.600 . 2.860 2.710 2.593 2.883 0.023 6 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 170
_Distance_constraint_stats_list.Viol_count 140
_Distance_constraint_stats_list.Viol_total 153.230
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0547
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.115 0.041 10 0 "[ . 1 . 2]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.012 0.012 10 0 "[ . 1 . 2]"
1 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 0.039 0.031 14 0 "[ . 1 . 2]"
1 7 GLU 0.250 0.062 8 0 "[ . 1 . 2]"
1 8 ASP 0.228 0.064 2 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.228 0.064 2 0 "[ . 1 . 2]"
1 14 ARG 0.250 0.062 8 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASN 0.039 0.031 14 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.012 0.012 10 0 "[ . 1 . 2]"
1 37 VAL 0.274 0.176 11 0 "[ . 1 . 2]"
1 38 GLU 0.115 0.041 10 0 "[ . 1 . 2]"
1 40 GLY 0.202 0.110 12 0 "[ . 1 . 2]"
1 41 CYS 1.859 0.200 16 0 "[ . 1 . 2]"
1 42 TRP 0.077 0.047 11 0 "[ . 1 . 2]"
1 43 MET 0.002 0.002 5 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.012 0.012 17 0 "[ . 1 . 2]"
1 48 PRO 0.300 0.085 5 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.312 0.085 5 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 0.216 0.106 4 0 "[ . 1 . 2]"
1 57 LEU 0.077 0.047 11 0 "[ . 1 . 2]"
1 60 GLY 0.274 0.176 11 0 "[ . 1 . 2]"
1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.482 0.132 4 0 "[ . 1 . 2]"
1 65 TYR 0.425 0.102 19 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLN 0.482 0.132 4 0 "[ . 1 . 2]"
1 68 TRP 0.357 0.102 19 0 "[ . 1 . 2]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.068 0.068 1 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 CYS 0.002 0.002 5 0 "[ . 1 . 2]"
1 81 ILE 1.859 0.200 16 0 "[ . 1 . 2]"
1 88 ARG 0.027 0.027 18 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TYR 0.936 0.161 14 0 "[ . 1 . 2]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ARG 0.060 0.054 8 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 0.060 0.054 8 0 "[ . 1 . 2]"
1 100 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ILE 1.078 0.144 9 0 "[ . 1 . 2]"
1 114 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 LEU 1.045 0.144 9 0 "[ . 1 . 2]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ARG 0.096 0.040 4 0 "[ . 1 . 2]"
1 122 SER 0.839 0.161 14 0 "[ . 1 . 2]"
1 123 LEU 0.044 0.016 1 0 "[ . 1 . 2]"
1 124 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.700 0.099 12 0 "[ . 1 . 2]"
1 127 GLU 0.027 0.027 18 0 "[ . 1 . 2]"
1 129 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLN 0.216 0.106 4 0 "[ . 1 . 2]"
1 143 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLN 0.700 0.099 12 0 "[ . 1 . 2]"
1 150 TYR 0.044 0.016 1 0 "[ . 1 . 2]"
1 151 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 CYS 0.283 0.101 15 0 "[ . 1 . 2]"
1 154 GLN 0.041 0.041 1 0 "[ . 1 . 2]"
1 156 TRP 0.172 0.101 15 0 "[ . 1 . 2]"
1 157 GLY 0.041 0.041 1 0 "[ . 1 . 2]"
1 158 ALA 0.110 0.037 12 0 "[ . 1 . 2]"
1 161 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 164 GLY 0.033 0.033 10 0 "[ . 1 . 2]"
1 165 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 172 LEU 0.202 0.110 12 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 2 LYS O 1 38 GLU N 3.300 . 3.630 3.064 2.864 3.403 . 0 0 "[ . 1 . 2]" 2
2 1 2 LYS O 1 38 GLU H 2.300 . 2.530 2.340 2.126 2.571 0.041 10 0 "[ . 1 . 2]" 2
3 1 3 ILE H 1 18 THR O 2.300 . 2.530 2.292 2.027 2.499 . 0 0 "[ . 1 . 2]" 2
4 1 3 ILE N 1 18 THR O 3.300 . 3.630 3.216 2.921 3.434 . 0 0 "[ . 1 . 2]" 2
5 1 3 ILE O 1 18 THR H 2.500 . 2.750 2.114 1.969 2.296 . 0 0 "[ . 1 . 2]" 2
6 1 3 ILE O 1 18 THR N 3.500 . 3.850 3.054 2.896 3.214 . 0 0 "[ . 1 . 2]" 2
7 1 4 THR H 1 36 ARG O 2.300 . 2.530 2.149 1.987 2.542 0.012 10 0 "[ . 1 . 2]" 2
8 1 4 THR N 1 36 ARG O 3.300 . 3.630 2.965 2.757 3.354 . 0 0 "[ . 1 . 2]" 2
9 1 5 PHE H 1 16 TYR O 2.300 . 2.530 1.972 1.885 2.077 . 0 0 "[ . 1 . 2]" 2
10 1 5 PHE N 1 16 TYR O 3.300 . 3.630 2.908 2.793 3.034 . 0 0 "[ . 1 . 2]" 2
11 1 6 TYR H 1 34 SER O 2.300 . 2.530 2.287 2.169 2.371 . 0 0 "[ . 1 . 2]" 2
12 1 6 TYR N 1 34 SER O 3.300 . 3.630 2.990 2.928 3.063 . 0 0 "[ . 1 . 2]" 2
13 1 7 GLU H 1 14 ARG O 2.300 . 2.530 2.400 1.992 2.592 0.062 8 0 "[ . 1 . 2]" 2
14 1 7 GLU N 1 14 ARG O 3.300 . 3.630 3.269 2.928 3.448 . 0 0 "[ . 1 . 2]" 2
15 1 10 ALA H 1 63 PRO O 2.500 . 2.750 2.012 1.941 2.171 . 0 0 "[ . 1 . 2]" 2
16 1 10 ALA N 1 63 PRO O 3.500 . 3.850 2.963 2.877 3.136 . 0 0 "[ . 1 . 2]" 2
17 1 8 ASP H 1 12 GLN O 2.300 . 2.530 2.132 2.018 2.319 . 0 0 "[ . 1 . 2]" 2
18 1 8 ASP N 1 12 GLN O 3.300 . 3.630 3.012 2.913 3.153 . 0 0 "[ . 1 . 2]" 2
19 1 8 ASP O 1 12 GLN H 2.500 . 2.750 2.573 2.200 2.814 0.064 2 0 "[ . 1 . 2]" 2
20 1 8 ASP O 1 12 GLN N 3.500 . 3.850 3.460 3.130 3.757 . 0 0 "[ . 1 . 2]" 2
21 1 5 PHE O 1 16 TYR H 2.300 . 2.530 2.247 2.078 2.464 . 0 0 "[ . 1 . 2]" 2
22 1 5 PHE O 1 16 TYR N 3.300 . 3.630 3.166 3.023 3.337 . 0 0 "[ . 1 . 2]" 2
23 1 22 CYS H 1 78 CYS O 2.300 . 2.530 2.166 2.034 2.438 . 0 0 "[ . 1 . 2]" 2
24 1 22 CYS N 1 78 CYS O 3.300 . 3.630 3.078 2.876 3.347 . 0 0 "[ . 1 . 2]" 2
25 1 25 LEU H 1 76 ARG O 2.300 . 2.530 2.077 1.987 2.210 . 0 0 "[ . 1 . 2]" 2
26 1 25 LEU N 1 76 ARG O 3.300 . 3.630 3.019 2.931 3.172 . 0 0 "[ . 1 . 2]" 2
27 1 25 LEU O 1 28 TYR H 2.500 . 2.750 2.248 2.075 2.540 . 0 0 "[ . 1 . 2]" 2
28 1 25 LEU O 1 28 TYR N 3.500 . 3.850 3.075 2.916 3.308 . 0 0 "[ . 1 . 2]" 2
29 1 25 LEU O 1 29 PHE H 2.300 . 2.530 1.946 1.898 2.098 . 0 0 "[ . 1 . 2]" 2
30 1 25 LEU O 1 29 PHE N 3.300 . 3.630 2.916 2.863 3.072 . 0 0 "[ . 1 . 2]" 2
31 1 6 TYR O 1 33 ASN H 2.300 . 2.530 2.413 2.118 2.561 0.031 14 0 "[ . 1 . 2]" 2
32 1 6 TYR O 1 33 ASN N 3.300 . 3.630 2.992 2.864 3.101 . 0 0 "[ . 1 . 2]" 2
33 1 35 ILE H 1 62 TYR O 2.300 . 2.530 2.129 1.989 2.410 . 0 0 "[ . 1 . 2]" 2
34 1 35 ILE N 1 62 TYR O 3.300 . 3.630 3.049 2.927 3.309 . 0 0 "[ . 1 . 2]" 2
35 1 4 THR O 1 36 ARG H 2.300 . 2.530 2.027 1.954 2.093 . 0 0 "[ . 1 . 2]" 2
36 1 4 THR O 1 36 ARG N 3.300 . 3.630 2.959 2.892 3.042 . 0 0 "[ . 1 . 2]" 2
37 1 37 VAL H 1 60 GLY O 2.300 . 2.530 2.238 2.096 2.548 0.018 20 0 "[ . 1 . 2]" 2
38 1 37 VAL N 1 60 GLY O 3.300 . 3.630 3.112 2.981 3.382 . 0 0 "[ . 1 . 2]" 2
39 1 37 VAL O 1 60 GLY H 2.300 . 2.530 2.274 2.045 2.706 0.176 11 0 "[ . 1 . 2]" 2
40 1 37 VAL O 1 60 GLY N 3.300 . 3.630 3.121 2.893 3.647 0.017 11 0 "[ . 1 . 2]" 2
41 1 40 GLY H 1 172 LEU O 2.700 . 2.970 2.202 1.926 3.080 0.110 12 0 "[ . 1 . 2]" 2
42 1 42 TRP H 1 57 LEU O 2.500 . 2.750 2.268 2.027 2.797 0.047 11 0 "[ . 1 . 2]" 2
43 1 43 MET H 1 79 CYS O 2.300 . 2.530 2.186 1.978 2.532 0.002 5 0 "[ . 1 . 2]" 2
44 1 43 MET N 1 79 CYS O 3.300 . 3.630 3.011 2.813 3.271 . 0 0 "[ . 1 . 2]" 2
45 1 44 LEU H 1 55 TYR O 2.300 . 2.530 1.958 1.887 2.102 . 0 0 "[ . 1 . 2]" 2
46 1 44 LEU N 1 55 TYR O 3.300 . 3.630 2.825 2.730 2.885 . 0 0 "[ . 1 . 2]" 2
47 1 44 LEU O 1 55 TYR H 2.300 . 2.530 2.055 1.931 2.189 . 0 0 "[ . 1 . 2]" 2
48 1 44 LEU O 1 55 TYR N 3.300 . 3.630 2.799 2.709 2.907 . 0 0 "[ . 1 . 2]" 2
49 1 45 TYR H 1 77 SER O 2.300 . 2.530 2.021 1.963 2.204 . 0 0 "[ . 1 . 2]" 2
50 1 45 TYR N 1 77 SER O 3.300 . 3.630 2.939 2.909 2.984 . 0 0 "[ . 1 . 2]" 2
51 1 46 GLU H 1 53 GLN O 2.300 . 2.530 2.053 1.925 2.225 . 0 0 "[ . 1 . 2]" 2
52 1 46 GLU N 1 53 GLN O 3.300 . 3.630 2.927 2.861 3.045 . 0 0 "[ . 1 . 2]" 2
53 1 47 ARG H 1 51 GLN O 2.300 . 2.530 2.259 2.139 2.542 0.012 17 0 "[ . 1 . 2]" 2
54 1 47 ARG N 1 51 GLN O 3.300 . 3.630 3.139 3.039 3.345 . 0 0 "[ . 1 . 2]" 2
55 1 48 PRO O 1 51 GLN H 2.500 . 2.750 2.655 2.415 2.835 0.085 5 0 "[ . 1 . 2]" 2
56 1 48 PRO O 1 51 GLN N 3.500 . 3.850 3.315 3.146 3.448 . 0 0 "[ . 1 . 2]" 2
57 1 23 PRO O 1 49 ASN H 2.300 . 2.530 2.041 1.932 2.175 . 0 0 "[ . 1 . 2]" 2
58 1 23 PRO O 1 49 ASN N 3.300 . 3.630 2.931 2.802 3.133 . 0 0 "[ . 1 . 2]" 2
59 1 35 ILE O 1 62 TYR H 2.300 . 2.530 2.080 1.977 2.236 . 0 0 "[ . 1 . 2]" 2
60 1 35 ILE O 1 62 TYR N 3.300 . 3.630 2.938 2.789 3.124 . 0 0 "[ . 1 . 2]" 2
61 1 64 ASP O 1 67 GLN N 3.300 . 3.630 3.375 3.072 3.520 . 0 0 "[ . 1 . 2]" 2
62 1 64 ASP O 1 67 GLN H 2.300 . 2.530 2.518 2.145 2.662 0.132 4 0 "[ . 1 . 2]" 2
63 1 65 TYR O 1 68 TRP N 3.300 . 3.630 3.507 3.213 3.732 0.102 19 0 "[ . 1 . 2]" 2
64 1 65 TYR O 1 68 TRP H 2.700 . 2.970 2.698 2.454 2.922 . 0 0 "[ . 1 . 2]" 2
65 1 66 GLN O 1 69 MET H 2.500 . 2.750 2.247 2.064 2.503 . 0 0 "[ . 1 . 2]" 2
66 1 66 GLN O 1 69 MET N 3.500 . 3.850 3.110 2.957 3.340 . 0 0 "[ . 1 . 2]" 2
67 1 65 TYR O 1 70 GLY H 2.300 . 2.530 2.082 1.934 2.598 0.068 1 0 "[ . 1 . 2]" 2
68 1 65 TYR O 1 70 GLY N 3.300 . 3.630 2.966 2.847 3.509 . 0 0 "[ . 1 . 2]" 2
69 1 45 TYR O 1 76 ARG H 2.300 . 2.530 2.151 2.003 2.426 . 0 0 "[ . 1 . 2]" 2
70 1 45 TYR O 1 76 ARG N 3.300 . 3.630 3.040 2.933 3.210 . 0 0 "[ . 1 . 2]" 2
71 1 22 CYS O 1 78 CYS H 2.300 . 2.530 2.116 1.975 2.317 . 0 0 "[ . 1 . 2]" 2
72 1 22 CYS O 1 78 CYS N 3.300 . 3.630 2.998 2.842 3.270 . 0 0 "[ . 1 . 2]" 2
73 1 30 SER O 1 75 ILE H 2.700 . 2.970 2.558 2.208 2.720 . 0 0 "[ . 1 . 2]" 2
74 1 30 SER O 1 75 ILE N 3.700 . 4.070 3.304 2.988 3.478 . 0 0 "[ . 1 . 2]" 2
75 1 32 CYS H 1 73 ASP O 2.300 . 2.530 2.028 1.938 2.278 . 0 0 "[ . 1 . 2]" 2
76 1 32 CYS N 1 73 ASP O 3.300 . 3.630 2.933 2.835 3.162 . 0 0 "[ . 1 . 2]" 2
77 1 43 MET O 1 79 CYS H 2.300 . 2.530 2.042 1.894 2.210 . 0 0 "[ . 1 . 2]" 2
78 1 43 MET O 1 79 CYS N 3.300 . 3.630 2.887 2.763 3.124 . 0 0 "[ . 1 . 2]" 2
79 1 41 CYS O 1 81 ILE H 3.000 . 3.300 3.098 2.088 3.500 0.200 16 0 "[ . 1 . 2]" 2
80 1 41 CYS O 1 81 ILE N 4.000 . 4.400 3.886 3.002 4.314 . 0 0 "[ . 1 . 2]" 2
81 1 88 ARG H 1 127 GLU O 2.300 . 2.530 2.001 1.913 2.192 . 0 0 "[ . 1 . 2]" 2
82 1 88 ARG N 1 127 GLU O 3.300 . 3.630 2.932 2.835 3.137 . 0 0 "[ . 1 . 2]" 2
83 1 88 ARG O 1 127 GLU H 2.700 . 2.970 2.568 2.272 2.997 0.027 18 0 "[ . 1 . 2]" 2
84 1 88 ARG O 1 127 GLU N 3.810 . 4.190 3.523 3.243 3.894 . 0 0 "[ . 1 . 2]" 2
85 1 89 LEU H 1 104 LEU O 2.300 . 2.530 2.041 1.928 2.239 . 0 0 "[ . 1 . 2]" 2
86 1 89 LEU N 1 104 LEU O 3.300 . 3.630 2.915 2.812 3.133 . 0 0 "[ . 1 . 2]" 2
87 1 90 ARG H 1 124 HIS O 2.300 . 2.530 2.107 2.048 2.264 . 0 0 "[ . 1 . 2]" 2
88 1 90 ARG N 1 124 HIS O 3.300 . 3.630 2.947 2.851 3.060 . 0 0 "[ . 1 . 2]" 2
89 1 91 LEU H 1 102 MET O 2.300 . 2.530 1.957 1.917 1.998 . 0 0 "[ . 1 . 2]" 2
90 1 91 LEU N 1 102 MET O 3.300 . 3.630 2.867 2.726 2.944 . 0 0 "[ . 1 . 2]" 2
91 1 92 TYR H 1 122 SER O 2.300 . 2.530 2.119 2.015 2.267 . 0 0 "[ . 1 . 2]" 2
92 1 92 TYR N 1 122 SER O 3.300 . 3.630 2.934 2.830 3.050 . 0 0 "[ . 1 . 2]" 2
93 1 93 GLU H 1 100 LEU O 2.300 . 2.530 2.120 2.011 2.228 . 0 0 "[ . 1 . 2]" 2
94 1 93 GLU N 1 100 LEU O 3.300 . 3.630 3.023 2.907 3.155 . 0 0 "[ . 1 . 2]" 2
95 1 94 ARG H 1 98 LYS O 2.500 . 2.750 2.192 2.038 2.734 . 0 0 "[ . 1 . 2]" 2
96 1 94 ARG N 1 98 LYS O 3.500 . 3.850 3.095 2.989 3.528 . 0 0 "[ . 1 . 2]" 2
97 1 94 ARG O 1 98 LYS H 2.500 . 2.750 2.342 2.095 2.804 0.054 8 0 "[ . 1 . 2]" 2
98 1 94 ARG O 1 98 LYS N 3.500 . 3.850 3.215 3.034 3.593 . 0 0 "[ . 1 . 2]" 2
99 1 96 ASP H 1 151 ARG O 2.300 . 2.530 1.976 1.855 2.212 . 0 0 "[ . 1 . 2]" 2
100 1 96 ASP N 1 151 ARG O 3.300 . 3.630 2.899 2.698 3.181 . 0 0 "[ . 1 . 2]" 2
101 1 91 LEU O 1 102 MET H 2.300 . 2.530 2.128 1.973 2.330 . 0 0 "[ . 1 . 2]" 2
102 1 91 LEU O 1 102 MET N 3.300 . 3.630 3.009 2.909 3.120 . 0 0 "[ . 1 . 2]" 2
103 1 89 LEU O 1 104 LEU H 2.300 . 2.530 2.061 1.970 2.185 . 0 0 "[ . 1 . 2]" 2
104 1 89 LEU O 1 104 LEU N 3.300 . 3.630 2.850 2.756 2.944 . 0 0 "[ . 1 . 2]" 2
105 1 108 CYS H 1 166 LEU O 2.300 . 2.530 2.154 1.981 2.356 . 0 0 "[ . 1 . 2]" 2
106 1 108 CYS N 1 166 LEU O 3.300 . 3.630 2.885 2.759 3.048 . 0 0 "[ . 1 . 2]" 2
107 1 111 ILE H 1 164 GLY O 2.300 . 2.530 2.069 1.978 2.563 0.033 10 0 "[ . 1 . 2]" 2
108 1 111 ILE N 1 164 GLY O 3.300 . 3.630 2.914 2.830 3.091 . 0 0 "[ . 1 . 2]" 2
109 1 111 ILE O 1 115 PHE H 2.300 . 2.530 2.106 1.986 2.261 . 0 0 "[ . 1 . 2]" 2
110 1 111 ILE O 1 115 PHE N 3.300 . 3.630 2.950 2.759 3.139 . 0 0 "[ . 1 . 2]" 2
111 1 111 ILE O 1 114 ARG H 2.500 . 2.750 2.375 2.294 2.434 . 0 0 "[ . 1 . 2]" 2
112 1 111 ILE O 1 114 ARG N 3.500 . 3.850 3.161 3.048 3.293 . 0 0 "[ . 1 . 2]" 2
113 1 111 ILE O 1 117 LEU H 2.500 . 2.750 2.787 2.495 2.894 0.144 9 0 "[ . 1 . 2]" 2
114 1 111 ILE O 1 117 LEU N 3.500 . 3.850 3.645 3.349 3.790 . 0 0 "[ . 1 . 2]" 2
115 1 120 ILE H 1 161 ALA O 2.500 . 2.750 2.124 1.865 2.599 . 0 0 "[ . 1 . 2]" 2
116 1 120 ILE N 1 161 ALA O 3.500 . 3.850 2.964 2.726 3.338 . 0 0 "[ . 1 . 2]" 2
117 1 92 TYR O 1 122 SER H 2.300 . 2.530 2.512 2.153 2.691 0.161 14 0 "[ . 1 . 2]" 2
118 1 92 TYR O 1 122 SER N 3.300 . 3.630 3.456 3.087 3.637 0.007 14 0 "[ . 1 . 2]" 2
119 1 92 TYR O 1 121 ARG H 2.500 . 2.750 2.578 2.199 2.790 0.040 4 0 "[ . 1 . 2]" 2
120 1 92 TYR O 1 121 ARG N 3.500 . 3.850 3.393 3.041 3.667 . 0 0 "[ . 1 . 2]" 2
121 1 123 LEU H 1 150 TYR O 2.300 . 2.530 2.286 2.051 2.546 0.016 1 0 "[ . 1 . 2]" 2
122 1 123 LEU N 1 150 TYR O 3.300 . 3.630 3.102 2.914 3.331 . 0 0 "[ . 1 . 2]" 2
123 1 90 ARG O 1 124 HIS H 2.300 . 2.530 2.136 2.007 2.293 . 0 0 "[ . 1 . 2]" 2
124 1 90 ARG O 1 124 HIS N 3.300 . 3.630 2.980 2.871 3.155 . 0 0 "[ . 1 . 2]" 2
125 1 125 VAL H 1 148 GLN O 2.300 . 2.530 2.142 2.070 2.266 . 0 0 "[ . 1 . 2]" 2
126 1 125 VAL N 1 148 GLN O 3.300 . 3.630 2.896 2.795 3.047 . 0 0 "[ . 1 . 2]" 2
127 1 130 TRP H 1 145 LEU O 2.300 . 2.530 1.980 1.929 2.062 . 0 0 "[ . 1 . 2]" 2
128 1 130 TRP N 1 145 LEU O 3.300 . 3.630 2.890 2.813 2.948 . 0 0 "[ . 1 . 2]" 2
129 1 131 VAL H 1 167 ARG O 2.300 . 2.530 2.008 1.956 2.126 . 0 0 "[ . 1 . 2]" 2
130 1 131 VAL N 1 167 ARG O 3.300 . 3.630 2.835 2.699 2.933 . 0 0 "[ . 1 . 2]" 2
131 1 132 LEU H 1 143 TYR O 2.300 . 2.530 1.993 1.929 2.064 . 0 0 "[ . 1 . 2]" 2
132 1 132 LEU N 1 143 TYR O 3.300 . 3.630 2.806 2.735 2.915 . 0 0 "[ . 1 . 2]" 2
133 1 133 TYR H 1 165 SER O 2.300 . 2.530 2.018 1.962 2.081 . 0 0 "[ . 1 . 2]" 2
134 1 133 TYR N 1 165 SER O 3.300 . 3.630 2.853 2.810 2.953 . 0 0 "[ . 1 . 2]" 2
135 1 134 GLU H 1 141 ARG O 2.300 . 2.530 2.092 2.004 2.210 . 0 0 "[ . 1 . 2]" 2
136 1 134 GLU N 1 141 ARG O 3.300 . 3.630 2.950 2.824 3.060 . 0 0 "[ . 1 . 2]" 2
137 1 109 PRO O 1 137 ASN H 2.300 . 2.530 2.046 1.939 2.204 . 0 0 "[ . 1 . 2]" 2
138 1 109 PRO O 1 137 ASN N 3.300 . 3.630 2.940 2.830 3.055 . 0 0 "[ . 1 . 2]" 2
139 1 132 LEU O 1 143 TYR H 2.300 . 2.530 2.073 1.973 2.191 . 0 0 "[ . 1 . 2]" 2
140 1 132 LEU O 1 143 TYR N 3.300 . 3.630 2.808 2.760 2.893 . 0 0 "[ . 1 . 2]" 2
141 1 130 TRP O 1 145 LEU H 2.300 . 2.530 2.006 1.938 2.069 . 0 0 "[ . 1 . 2]" 2
142 1 130 TRP O 1 145 LEU N 3.300 . 3.630 2.925 2.876 2.977 . 0 0 "[ . 1 . 2]" 2
143 1 125 VAL O 1 148 GLN H 2.300 . 2.530 2.554 2.361 2.629 0.099 12 0 "[ . 1 . 2]" 2
144 1 125 VAL O 1 148 GLN N 3.300 . 3.630 2.931 2.816 3.106 . 0 0 "[ . 1 . 2]" 2
145 1 123 LEU O 1 150 TYR H 2.300 . 2.530 2.229 1.987 2.428 . 0 0 "[ . 1 . 2]" 2
146 1 123 LEU O 1 150 TYR N 3.300 . 3.630 2.844 2.718 3.063 . 0 0 "[ . 1 . 2]" 2
147 1 118 SER O 1 163 ALA H 2.300 . 2.530 2.050 1.918 2.249 . 0 0 "[ . 1 . 2]" 2
148 1 118 SER O 1 163 ALA N 3.300 . 3.630 2.975 2.847 3.142 . 0 0 "[ . 1 . 2]" 2
149 1 133 TYR O 1 164 GLY H 2.300 . 2.530 2.105 1.947 2.444 . 0 0 "[ . 1 . 2]" 2
150 1 133 TYR O 1 164 GLY N 3.300 . 3.630 2.899 2.776 3.143 . 0 0 "[ . 1 . 2]" 2
151 1 108 CYS O 1 166 LEU H 2.300 . 2.530 2.037 1.935 2.235 . 0 0 "[ . 1 . 2]" 2
152 1 108 CYS O 1 166 LEU N 3.300 . 3.630 2.962 2.867 3.069 . 0 0 "[ . 1 . 2]" 2
153 1 131 VAL O 1 167 ARG H 2.500 . 2.750 2.113 2.011 2.268 . 0 0 "[ . 1 . 2]" 2
154 1 131 VAL O 1 167 ARG N 3.500 . 3.850 3.028 2.941 3.198 . 0 0 "[ . 1 . 2]" 2
155 1 135 LEU N 1 139 ARG O 3.300 . 3.630 3.015 2.906 3.105 . 0 0 "[ . 1 . 2]" 2
156 1 135 LEU H 1 139 ARG O 2.300 . 2.530 2.193 2.117 2.307 . 0 0 "[ . 1 . 2]" 2
157 1 153 CYS O 1 156 TRP H 2.650 . 2.920 2.736 2.304 3.021 0.101 15 0 "[ . 1 . 2]" 2
158 1 153 CYS O 1 156 TRP N 3.760 . 4.140 3.496 3.166 3.786 . 0 0 "[ . 1 . 2]" 2
159 1 154 GLN O 1 157 GLY H 2.300 . 2.530 2.361 2.209 2.571 0.041 1 0 "[ . 1 . 2]" 2
160 1 154 GLN O 1 157 GLY N 3.300 . 3.630 3.227 3.091 3.428 . 0 0 "[ . 1 . 2]" 2
161 1 153 CYS O 1 158 ALA H 2.300 . 2.530 2.324 2.107 2.567 0.037 12 0 "[ . 1 . 2]" 2
162 1 153 CYS O 1 158 ALA N 3.300 . 3.630 3.186 2.966 3.412 . 0 0 "[ . 1 . 2]" 2
163 1 129 CYS O 1 169 VAL H 2.300 . 2.530 2.044 1.901 2.152 . 0 0 "[ . 1 . 2]" 2
164 1 129 CYS O 1 169 VAL N 3.300 . 3.630 2.979 2.813 3.087 . 0 0 "[ . 1 . 2]" 2
165 1 146 ARG H 1 150 TYR OH 2.800 . 3.080 1.985 1.928 2.037 . 0 0 "[ . 1 . 2]" 2
166 1 146 ARG N 1 150 TYR OH 3.800 . 4.180 2.881 2.823 2.960 . 0 0 "[ . 1 . 2]" 2
167 1 56 LEU H 1 142 GLN OE1 2.800 . 3.080 2.418 2.002 3.186 0.106 4 0 "[ . 1 . 2]" 2
168 1 56 LEU N 1 142 GLN OE1 3.800 . 4.180 3.311 2.896 4.046 . 0 0 "[ . 1 . 2]" 2
169 1 54 GLN OE1 1 144 LEU H 2.800 . 3.080 1.981 1.912 2.120 . 0 0 "[ . 1 . 2]" 2
170 1 54 GLN OE1 1 144 LEU N 3.800 . 4.180 2.917 2.837 3.037 . 0 0 "[ . 1 . 2]" 2
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